USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -144:sc= -0.207 (180deg=-1.26) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.44) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -7:sc= -2.08 USER MOD Single : A 12 HIS : no HD1:sc= -0.395 X(o=-0.4,f=-0.23) USER MOD Single : A 23 THR OG1 : rot -90:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -173:sc= -0.694 USER MOD Single : A 31 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ 173:sc= -0.133 (180deg=-0.172) USER MOD Single : A 41 LYS NZ :NH3+ -151:sc= 0.715 (180deg=-0.816) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 0.719 (180deg=0.323) USER MOD Single : A 51 THR OG1 : rot 180:sc= -2.31 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 61 SER OG : rot 87:sc= -0.875 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.91) USER MOD Single : A 88 TYR OH : rot 176:sc= 0.169 USER MOD Single : A 89 LYS NZ :NH3+ -158:sc=-0.00948 (180deg=-0.499) USER MOD Single : A 92 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 84.418 14.918 -0.871 1.00 1.31 N ATOM 2 CA MET A 1 83.769 13.629 -1.247 1.00 0.79 C ATOM 3 C MET A 1 82.437 13.894 -1.953 1.00 0.68 C ATOM 4 O MET A 1 81.451 14.236 -1.325 1.00 0.82 O ATOM 5 CB MET A 1 83.538 12.900 0.077 1.00 1.18 C ATOM 6 CG MET A 1 83.054 11.476 -0.202 1.00 1.69 C ATOM 7 SD MET A 1 82.582 10.683 1.356 1.00 2.57 S ATOM 8 CE MET A 1 84.218 10.707 2.127 1.00 2.76 C ATOM 0 H1 MET A 1 85.321 14.725 -0.393 1.00 1.31 H new ATOM 0 H2 MET A 1 84.593 15.481 -1.728 1.00 1.31 H new ATOM 0 H3 MET A 1 83.793 15.447 -0.230 1.00 1.31 H new ATOM 0 HA MET A 1 84.381 13.043 -1.933 1.00 0.79 H new ATOM 0 HB2 MET A 1 84.461 12.875 0.656 1.00 1.18 H new ATOM 0 HB3 MET A 1 82.801 13.435 0.675 1.00 1.18 H new ATOM 0 HG2 MET A 1 82.204 11.496 -0.884 1.00 1.69 H new ATOM 0 HG3 MET A 1 83.841 10.902 -0.691 1.00 1.69 H new ATOM 0 HE1 MET A 1 84.354 9.802 2.719 1.00 2.76 H new ATOM 0 HE2 MET A 1 84.984 10.753 1.353 1.00 2.76 H new ATOM 0 HE3 MET A 1 84.303 11.580 2.774 1.00 2.76 H new ATOM 20 N ASP A 2 82.397 13.709 -3.251 1.00 0.57 N ATOM 21 CA ASP A 2 81.124 13.915 -4.008 1.00 0.50 C ATOM 22 C ASP A 2 80.194 12.719 -3.802 1.00 0.41 C ATOM 23 O ASP A 2 80.633 11.583 -3.782 1.00 0.38 O ATOM 24 CB ASP A 2 81.540 14.020 -5.478 1.00 0.54 C ATOM 25 CG ASP A 2 82.416 15.261 -5.686 1.00 0.92 C ATOM 26 OD1 ASP A 2 82.243 16.221 -4.952 1.00 1.70 O ATOM 27 OD2 ASP A 2 83.247 15.229 -6.578 1.00 1.37 O ATOM 0 H ASP A 2 83.194 13.423 -3.819 1.00 0.57 H new ATOM 0 HA ASP A 2 80.587 14.803 -3.675 1.00 0.50 H new ATOM 0 HB2 ASP A 2 82.086 13.125 -5.775 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.655 14.078 -6.112 1.00 0.54 H new ATOM 32 N VAL A 3 78.912 12.966 -3.673 1.00 0.40 N ATOM 33 CA VAL A 3 77.946 11.851 -3.498 1.00 0.33 C ATOM 34 C VAL A 3 76.820 11.971 -4.536 1.00 0.31 C ATOM 35 O VAL A 3 76.384 13.062 -4.859 1.00 0.37 O ATOM 36 CB VAL A 3 77.443 11.992 -2.043 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.398 13.113 -1.895 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.829 10.666 -1.589 1.00 0.30 C ATOM 0 H VAL A 3 78.498 13.898 -3.682 1.00 0.40 H new ATOM 0 HA VAL A 3 78.383 10.865 -3.656 1.00 0.33 H new ATOM 0 HB VAL A 3 78.299 12.253 -1.421 1.00 0.36 H new ATOM 0 HG11 VAL A 3 76.074 13.174 -0.856 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.839 14.064 -2.194 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.539 12.896 -2.530 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.473 10.762 -0.563 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.993 10.410 -2.240 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.582 9.880 -1.640 1.00 0.30 H new ATOM 48 N LEU A 4 76.388 10.869 -5.082 1.00 0.26 N ATOM 49 CA LEU A 4 75.330 10.916 -6.137 1.00 0.28 C ATOM 50 C LEU A 4 73.930 10.884 -5.503 1.00 0.28 C ATOM 51 O LEU A 4 72.963 11.299 -6.114 1.00 0.30 O ATOM 52 CB LEU A 4 75.570 9.676 -7.021 1.00 0.27 C ATOM 53 CG LEU A 4 77.045 9.595 -7.487 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.199 8.446 -8.484 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.481 10.910 -8.157 1.00 0.37 C ATOM 0 H LEU A 4 76.721 9.934 -4.845 1.00 0.26 H new ATOM 0 HA LEU A 4 75.381 11.835 -6.721 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.312 8.775 -6.465 1.00 0.27 H new ATOM 0 HB3 LEU A 4 74.913 9.713 -7.890 1.00 0.27 H new ATOM 0 HG LEU A 4 77.675 9.423 -6.615 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.236 8.387 -8.814 1.00 0.36 H new ATOM 0 HD12 LEU A 4 76.916 7.508 -8.005 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.554 8.622 -9.345 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.520 10.829 -8.476 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.850 11.103 -9.024 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.383 11.731 -7.446 1.00 0.37 H new ATOM 67 N ALA A 5 73.823 10.466 -4.257 1.00 0.25 N ATOM 68 CA ALA A 5 72.501 10.492 -3.553 1.00 0.25 C ATOM 69 C ALA A 5 72.692 10.141 -2.075 1.00 0.23 C ATOM 70 O ALA A 5 73.655 9.495 -1.708 1.00 0.25 O ATOM 71 CB ALA A 5 71.643 9.430 -4.247 1.00 0.26 C ATOM 0 H ALA A 5 74.599 10.108 -3.700 1.00 0.25 H new ATOM 0 HA ALA A 5 72.033 11.476 -3.597 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.659 9.396 -3.780 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.536 9.682 -5.302 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.123 8.456 -4.153 1.00 0.26 H new ATOM 77 N LYS A 6 71.779 10.556 -1.233 1.00 0.22 N ATOM 78 CA LYS A 6 71.893 10.244 0.226 1.00 0.22 C ATOM 79 C LYS A 6 70.548 9.750 0.767 1.00 0.21 C ATOM 80 O LYS A 6 69.537 10.415 0.627 1.00 0.23 O ATOM 81 CB LYS A 6 72.277 11.575 0.879 1.00 0.24 C ATOM 82 CG LYS A 6 72.466 11.377 2.386 1.00 1.40 C ATOM 83 CD LYS A 6 72.615 12.740 3.065 1.00 1.50 C ATOM 84 CE LYS A 6 73.924 13.394 2.617 1.00 1.79 C ATOM 85 NZ LYS A 6 74.150 14.503 3.585 1.00 2.30 N ATOM 0 H LYS A 6 70.956 11.100 -1.494 1.00 0.22 H new ATOM 0 HA LYS A 6 72.623 9.460 0.429 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.196 11.957 0.435 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.501 12.318 0.695 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.613 10.842 2.803 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.349 10.766 2.575 1.00 1.40 H new ATOM 0 HD2 LYS A 6 71.770 13.380 2.809 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.608 12.621 4.148 1.00 1.50 H new ATOM 0 HE2 LYS A 6 74.748 12.681 2.634 1.00 1.79 H new ATOM 0 HE3 LYS A 6 73.849 13.770 1.597 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 75.031 15.000 3.344 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.353 15.170 3.541 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 74.224 14.115 4.547 1.00 2.30 H new ATOM 99 N PHE A 7 70.535 8.604 1.409 1.00 0.19 N ATOM 100 CA PHE A 7 69.259 8.084 1.993 1.00 0.19 C ATOM 101 C PHE A 7 69.534 7.246 3.249 1.00 0.17 C ATOM 102 O PHE A 7 70.653 6.849 3.504 1.00 0.16 O ATOM 103 CB PHE A 7 68.628 7.244 0.873 1.00 0.20 C ATOM 104 CG PHE A 7 69.514 6.069 0.516 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.725 6.279 -0.224 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.137 4.742 0.912 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.559 5.162 -0.567 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.972 3.626 0.569 1.00 0.20 C ATOM 109 CZ PHE A 7 71.182 3.835 -0.169 1.00 0.20 C ATOM 0 H PHE A 7 71.351 8.009 1.553 1.00 0.19 H new ATOM 0 HA PHE A 7 68.593 8.884 2.316 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.649 6.884 1.190 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.469 7.866 -0.008 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.009 7.277 -0.523 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.225 4.583 1.468 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.470 5.320 -1.125 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.688 2.628 0.868 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.810 2.995 -0.426 1.00 0.20 H new ATOM 119 N HIS A 8 68.528 7.035 4.064 1.00 0.18 N ATOM 120 CA HIS A 8 68.727 6.290 5.348 1.00 0.18 C ATOM 121 C HIS A 8 68.018 4.933 5.286 1.00 0.17 C ATOM 122 O HIS A 8 66.889 4.834 4.843 1.00 0.18 O ATOM 123 CB HIS A 8 68.082 7.171 6.420 1.00 0.20 C ATOM 124 CG HIS A 8 68.796 8.493 6.493 1.00 0.77 C ATOM 125 ND1 HIS A 8 69.924 8.683 7.275 1.00 1.41 N ATOM 126 CD2 HIS A 8 68.550 9.702 5.891 1.00 1.61 C ATOM 127 CE1 HIS A 8 70.310 9.963 7.126 1.00 1.81 C ATOM 128 NE2 HIS A 8 69.507 10.629 6.292 1.00 1.99 N ATOM 0 H HIS A 8 67.572 7.349 3.894 1.00 0.18 H new ATOM 0 HA HIS A 8 69.780 6.096 5.552 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.029 7.329 6.188 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.124 6.671 7.388 1.00 0.20 H new ATOM 0 HD2 HIS A 8 67.737 9.903 5.209 1.00 1.61 H new ATOM 0 HE1 HIS A 8 71.165 10.399 7.621 1.00 1.81 H new ATOM 0 HE2 HIS A 8 69.580 11.607 6.010 1.00 1.99 H new ATOM 136 N THR A 9 68.658 3.901 5.774 1.00 0.16 N ATOM 137 CA THR A 9 68.019 2.550 5.805 1.00 0.17 C ATOM 138 C THR A 9 68.586 1.734 6.978 1.00 0.16 C ATOM 139 O THR A 9 69.656 2.031 7.472 1.00 0.15 O ATOM 140 CB THR A 9 68.351 1.910 4.441 1.00 0.17 C ATOM 141 OG1 THR A 9 67.618 0.702 4.300 1.00 0.18 O ATOM 142 CG2 THR A 9 69.851 1.614 4.323 1.00 0.17 C ATOM 0 H THR A 9 69.603 3.937 6.155 1.00 0.16 H new ATOM 0 HA THR A 9 66.940 2.595 5.956 1.00 0.17 H new ATOM 0 HB THR A 9 68.076 2.611 3.652 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.825 0.293 3.434 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.058 1.163 3.352 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.414 2.543 4.419 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.149 0.925 5.114 1.00 0.17 H new ATOM 150 N THR A 10 67.913 0.682 7.380 1.00 0.17 N ATOM 151 CA THR A 10 68.462 -0.184 8.470 1.00 0.17 C ATOM 152 C THR A 10 68.860 -1.554 7.902 1.00 0.17 C ATOM 153 O THR A 10 68.432 -1.935 6.827 1.00 0.17 O ATOM 154 CB THR A 10 67.343 -0.285 9.540 1.00 0.17 C ATOM 155 OG1 THR A 10 67.892 -0.788 10.746 1.00 0.17 O ATOM 156 CG2 THR A 10 66.208 -1.218 9.098 1.00 0.17 C ATOM 0 H THR A 10 67.012 0.387 7.003 1.00 0.17 H new ATOM 0 HA THR A 10 69.367 0.229 8.916 1.00 0.17 H new ATOM 0 HB THR A 10 66.932 0.715 9.681 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.821 -1.061 10.594 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.447 -1.259 9.877 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.765 -0.840 8.177 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.605 -2.218 8.926 1.00 0.17 H new ATOM 164 N VAL A 11 69.715 -2.261 8.593 1.00 0.17 N ATOM 165 CA VAL A 11 70.199 -3.577 8.075 1.00 0.17 C ATOM 166 C VAL A 11 69.146 -4.659 8.317 1.00 0.17 C ATOM 167 O VAL A 11 68.626 -4.796 9.405 1.00 0.17 O ATOM 168 CB VAL A 11 71.479 -3.887 8.867 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.078 -5.213 8.379 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.503 -2.759 8.665 1.00 0.49 C ATOM 0 H VAL A 11 70.100 -1.984 9.496 1.00 0.17 H new ATOM 0 HA VAL A 11 70.388 -3.547 7.002 1.00 0.17 H new ATOM 0 HB VAL A 11 71.233 -3.966 9.926 1.00 0.21 H new ATOM 0 HG11 VAL A 11 72.986 -5.431 8.942 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.356 -6.016 8.529 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.318 -5.135 7.319 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.408 -2.984 9.229 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.747 -2.674 7.606 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.081 -1.817 9.017 1.00 0.49 H new ATOM 180 N HIS A 12 68.918 -5.487 7.333 1.00 0.21 N ATOM 181 CA HIS A 12 68.005 -6.654 7.512 1.00 0.25 C ATOM 182 C HIS A 12 68.800 -7.949 7.397 1.00 0.25 C ATOM 183 O HIS A 12 69.987 -7.940 7.132 1.00 0.25 O ATOM 184 CB HIS A 12 66.965 -6.565 6.398 1.00 0.26 C ATOM 185 CG HIS A 12 65.845 -5.664 6.837 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.045 -4.322 7.118 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.511 -5.900 7.057 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.860 -3.806 7.490 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.890 -4.725 7.470 1.00 0.56 N ATOM 0 H HIS A 12 69.329 -5.404 6.403 1.00 0.21 H new ATOM 0 HA HIS A 12 67.526 -6.644 8.491 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.423 -6.179 5.487 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.579 -7.557 6.165 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.018 -6.852 6.929 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.710 -2.774 7.771 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.907 -4.594 7.706 1.00 0.56 H new ATOM 197 N ARG A 13 68.173 -9.059 7.691 1.00 0.29 N ATOM 198 CA ARG A 13 68.892 -10.381 7.710 1.00 0.32 C ATOM 199 C ARG A 13 69.779 -10.575 6.464 1.00 0.29 C ATOM 200 O ARG A 13 69.564 -9.968 5.435 1.00 0.24 O ATOM 201 CB ARG A 13 67.770 -11.419 7.717 1.00 0.36 C ATOM 202 CG ARG A 13 67.054 -11.392 9.069 1.00 0.72 C ATOM 203 CD ARG A 13 65.993 -12.495 9.107 1.00 1.16 C ATOM 204 NE ARG A 13 65.196 -12.228 10.348 1.00 1.81 N ATOM 205 CZ ARG A 13 63.967 -12.692 10.499 1.00 2.39 C ATOM 206 NH1 ARG A 13 63.378 -13.420 9.575 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.319 -12.421 11.599 1.00 2.76 N ATOM 0 H ARG A 13 67.181 -9.112 7.922 1.00 0.29 H new ATOM 0 HA ARG A 13 69.561 -10.458 8.567 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.062 -11.210 6.915 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.179 -12.412 7.530 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.773 -11.536 9.876 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.588 -10.419 9.227 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.362 -12.465 8.219 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.452 -13.483 9.139 1.00 1.16 H new ATOM 0 HE ARG A 13 65.613 -11.674 11.096 1.00 1.81 H new ATOM 0 HH11 ARG A 13 63.871 -13.642 8.710 1.00 2.96 H new ATOM 0 HH12 ARG A 13 62.429 -13.762 9.724 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.761 -11.859 12.326 1.00 2.76 H new ATOM 0 HH22 ARG A 13 62.370 -12.771 11.731 1.00 2.76 H new ATOM 221 N ILE A 14 70.837 -11.344 6.601 1.00 0.34 N ATOM 222 CA ILE A 14 71.843 -11.538 5.489 1.00 0.34 C ATOM 223 C ILE A 14 72.551 -10.224 5.094 1.00 0.28 C ATOM 224 O ILE A 14 73.290 -10.202 4.126 1.00 0.29 O ATOM 225 CB ILE A 14 71.071 -12.099 4.278 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.289 -13.352 4.682 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.062 -12.468 3.174 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.302 -13.709 3.569 1.00 0.36 C ATOM 0 H ILE A 14 71.054 -11.859 7.454 1.00 0.34 H new ATOM 0 HA ILE A 14 72.625 -12.218 5.827 1.00 0.34 H new ATOM 0 HB ILE A 14 70.375 -11.340 3.921 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.974 -14.182 4.857 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.755 -13.177 5.616 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.520 -12.865 2.316 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.618 -11.580 2.873 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.756 -13.222 3.545 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.742 -14.601 3.851 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.611 -12.880 3.416 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.849 -13.901 2.646 1.00 0.36 H new ATOM 240 N GLY A 15 72.356 -9.142 5.823 1.00 0.24 N ATOM 241 CA GLY A 15 73.046 -7.862 5.467 1.00 0.20 C ATOM 242 C GLY A 15 72.342 -7.185 4.280 1.00 0.17 C ATOM 243 O GLY A 15 72.925 -6.349 3.612 1.00 0.15 O ATOM 0 H GLY A 15 71.752 -9.095 6.643 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.049 -7.192 6.327 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.088 -8.061 5.215 1.00 0.20 H new ATOM 247 N ARG A 16 71.128 -7.586 3.965 1.00 0.18 N ATOM 248 CA ARG A 16 70.428 -7.015 2.773 1.00 0.18 C ATOM 249 C ARG A 16 69.737 -5.701 3.147 1.00 0.19 C ATOM 250 O ARG A 16 69.126 -5.595 4.193 1.00 0.24 O ATOM 251 CB ARG A 16 69.396 -8.080 2.384 1.00 0.26 C ATOM 252 CG ARG A 16 68.716 -7.700 1.067 1.00 0.26 C ATOM 253 CD ARG A 16 67.668 -8.761 0.720 1.00 0.76 C ATOM 254 NE ARG A 16 67.339 -8.536 -0.724 1.00 0.91 N ATOM 255 CZ ARG A 16 66.219 -8.990 -1.262 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.323 -9.647 -0.556 1.00 1.96 N ATOM 257 NH2 ARG A 16 65.996 -8.782 -2.530 1.00 1.41 N ATOM 0 H ARG A 16 70.596 -8.284 4.484 1.00 0.18 H new ATOM 0 HA ARG A 16 71.111 -6.788 1.954 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.883 -9.050 2.284 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.649 -8.179 3.172 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.245 -6.721 1.156 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.455 -7.627 0.269 1.00 0.26 H new ATOM 0 HD2 ARG A 16 68.057 -9.766 0.882 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.782 -8.658 1.346 1.00 0.76 H new ATOM 0 HE ARG A 16 67.996 -8.019 -1.308 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.482 -9.819 0.437 1.00 1.96 H new ATOM 0 HH12 ARG A 16 64.470 -9.984 -1.002 1.00 1.96 H new ATOM 0 HH21 ARG A 16 66.680 -8.276 -3.092 1.00 1.41 H new ATOM 0 HH22 ARG A 16 65.137 -9.126 -2.960 1.00 1.41 H new ATOM 271 N ILE A 17 69.744 -4.741 2.254 1.00 0.18 N ATOM 272 CA ILE A 17 68.976 -3.478 2.493 1.00 0.21 C ATOM 273 C ILE A 17 68.173 -3.117 1.238 1.00 0.19 C ATOM 274 O ILE A 17 68.578 -3.431 0.134 1.00 0.15 O ATOM 275 CB ILE A 17 70.026 -2.400 2.814 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.979 -2.210 1.624 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.834 -2.820 4.044 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.799 -0.927 1.813 1.00 0.30 C ATOM 0 H ILE A 17 70.249 -4.777 1.369 1.00 0.18 H new ATOM 0 HA ILE A 17 68.262 -3.576 3.311 1.00 0.21 H new ATOM 0 HB ILE A 17 69.511 -1.460 3.012 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.645 -3.069 1.539 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.410 -2.155 0.696 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.577 -2.055 4.270 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.165 -2.938 4.896 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.337 -3.766 3.843 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.473 -0.798 0.966 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.127 -0.071 1.876 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.381 -0.999 2.732 1.00 0.30 H new ATOM 290 N ILE A 18 67.091 -2.394 1.393 1.00 0.23 N ATOM 291 CA ILE A 18 66.318 -1.931 0.197 1.00 0.20 C ATOM 292 C ILE A 18 66.317 -0.407 0.136 1.00 0.20 C ATOM 293 O ILE A 18 65.920 0.255 1.079 1.00 0.22 O ATOM 294 CB ILE A 18 64.884 -2.446 0.390 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.876 -3.971 0.614 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.057 -2.106 -0.855 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.542 -4.695 -0.562 1.00 0.24 C ATOM 0 H ILE A 18 66.710 -2.105 2.294 1.00 0.23 H new ATOM 0 HA ILE A 18 66.756 -2.303 -0.729 1.00 0.20 H new ATOM 0 HB ILE A 18 64.453 -1.967 1.269 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.401 -4.210 1.539 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.850 -4.321 0.729 1.00 0.25 H new ATOM 0 HG21 ILE A 18 63.037 -2.469 -0.725 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.042 -1.026 -0.998 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.503 -2.582 -1.729 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.526 -5.770 -0.384 1.00 0.24 H new ATOM 0 HD12 ILE A 18 65.000 -4.471 -1.481 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.574 -4.359 -0.659 1.00 0.24 H new ATOM 309 N ILE A 19 66.680 0.149 -0.993 1.00 0.17 N ATOM 310 CA ILE A 19 66.613 1.635 -1.150 1.00 0.17 C ATOM 311 C ILE A 19 65.167 2.052 -1.453 1.00 0.19 C ATOM 312 O ILE A 19 64.493 1.382 -2.205 1.00 0.17 O ATOM 313 CB ILE A 19 67.543 1.972 -2.328 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.965 1.468 -1.994 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.547 3.497 -2.534 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.979 1.908 -3.058 1.00 0.23 C ATOM 0 H ILE A 19 67.019 -0.359 -1.810 1.00 0.17 H new ATOM 0 HA ILE A 19 66.921 2.164 -0.248 1.00 0.17 H new ATOM 0 HB ILE A 19 67.199 1.491 -3.244 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.269 1.850 -1.020 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.960 0.380 -1.922 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.203 3.750 -3.367 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.535 3.837 -2.753 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.906 3.986 -1.628 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.969 1.537 -2.793 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.688 1.504 -4.027 1.00 0.23 H new ATOM 0 HD13 ILE A 19 70.002 2.996 -3.111 1.00 0.23 H new ATOM 328 N PRO A 20 64.751 3.194 -0.941 1.00 0.24 N ATOM 329 CA PRO A 20 63.399 3.715 -1.283 1.00 0.28 C ATOM 330 C PRO A 20 63.323 4.010 -2.774 1.00 0.26 C ATOM 331 O PRO A 20 64.287 4.447 -3.373 1.00 0.25 O ATOM 332 CB PRO A 20 63.299 5.001 -0.473 1.00 0.34 C ATOM 333 CG PRO A 20 64.723 5.397 -0.274 1.00 0.35 C ATOM 334 CD PRO A 20 65.452 4.111 -0.022 1.00 0.29 C ATOM 0 HA PRO A 20 62.593 3.015 -1.061 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.739 5.769 -1.007 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.791 4.839 0.477 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.117 5.908 -1.152 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.828 6.082 0.567 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.515 4.190 -0.252 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.373 3.791 1.017 1.00 0.29 H new ATOM 342 N ALA A 21 62.192 3.758 -3.375 1.00 0.28 N ATOM 343 CA ALA A 21 62.047 3.990 -4.847 1.00 0.29 C ATOM 344 C ALA A 21 62.358 5.452 -5.193 1.00 0.31 C ATOM 345 O ALA A 21 62.772 5.761 -6.296 1.00 0.32 O ATOM 346 CB ALA A 21 60.586 3.666 -5.170 1.00 0.33 C ATOM 0 H ALA A 21 61.357 3.400 -2.911 1.00 0.28 H new ATOM 0 HA ALA A 21 62.737 3.373 -5.423 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.407 3.814 -6.235 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.377 2.629 -4.908 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.932 4.324 -4.597 1.00 0.33 H new ATOM 352 N GLY A 22 62.161 6.350 -4.254 1.00 0.34 N ATOM 353 CA GLY A 22 62.439 7.795 -4.526 1.00 0.38 C ATOM 354 C GLY A 22 63.931 7.999 -4.789 1.00 0.37 C ATOM 355 O GLY A 22 64.314 8.705 -5.706 1.00 0.39 O ATOM 0 H GLY A 22 61.821 6.144 -3.315 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.860 8.130 -5.387 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.125 8.401 -3.676 1.00 0.38 H new ATOM 359 N THR A 23 64.776 7.389 -3.992 1.00 0.34 N ATOM 360 CA THR A 23 66.249 7.556 -4.193 1.00 0.34 C ATOM 361 C THR A 23 66.689 6.847 -5.474 1.00 0.30 C ATOM 362 O THR A 23 67.488 7.368 -6.228 1.00 0.32 O ATOM 363 CB THR A 23 66.912 6.922 -2.966 1.00 0.34 C ATOM 364 OG1 THR A 23 66.434 7.564 -1.791 1.00 0.39 O ATOM 365 CG2 THR A 23 68.433 7.088 -3.056 1.00 0.37 C ATOM 0 H THR A 23 64.510 6.785 -3.214 1.00 0.34 H new ATOM 0 HA THR A 23 66.529 8.604 -4.296 1.00 0.34 H new ATOM 0 HB THR A 23 66.668 5.860 -2.930 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.014 8.324 -1.575 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.901 6.636 -2.181 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.800 6.598 -3.958 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.682 8.149 -3.093 1.00 0.37 H new ATOM 373 N ARG A 24 66.126 5.692 -5.764 1.00 0.26 N ATOM 374 CA ARG A 24 66.471 4.983 -7.055 1.00 0.25 C ATOM 375 C ARG A 24 66.198 5.919 -8.238 1.00 0.28 C ATOM 376 O ARG A 24 66.929 5.949 -9.206 1.00 0.29 O ATOM 377 CB ARG A 24 65.549 3.755 -7.187 1.00 0.25 C ATOM 378 CG ARG A 24 65.449 2.964 -5.880 1.00 0.23 C ATOM 379 CD ARG A 24 65.107 1.509 -6.190 1.00 0.24 C ATOM 380 NE ARG A 24 64.319 1.039 -5.009 1.00 0.27 N ATOM 381 CZ ARG A 24 63.465 0.034 -5.094 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.277 -0.631 -6.213 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.792 -0.308 -4.032 1.00 0.39 N ATOM 0 H ARG A 24 65.449 5.210 -5.172 1.00 0.26 H new ATOM 0 HA ARG A 24 67.520 4.688 -7.051 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.554 4.081 -7.490 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.925 3.104 -7.976 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.392 3.019 -5.336 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.684 3.399 -5.237 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.528 1.427 -7.110 1.00 0.24 H new ATOM 0 HD3 ARG A 24 66.008 0.912 -6.327 1.00 0.24 H new ATOM 0 HE ARG A 24 64.444 1.508 -4.112 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.799 -0.376 -7.052 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.609 -1.402 -6.242 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.929 0.197 -3.157 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.128 -1.081 -4.076 1.00 0.39 H new ATOM 397 N LYS A 25 65.110 6.643 -8.165 1.00 0.32 N ATOM 398 CA LYS A 25 64.719 7.550 -9.287 1.00 0.37 C ATOM 399 C LYS A 25 65.749 8.668 -9.444 1.00 0.38 C ATOM 400 O LYS A 25 66.248 8.914 -10.525 1.00 0.40 O ATOM 401 CB LYS A 25 63.358 8.126 -8.873 1.00 0.42 C ATOM 402 CG LYS A 25 62.821 9.036 -9.976 1.00 1.08 C ATOM 403 CD LYS A 25 61.479 9.627 -9.542 1.00 1.68 C ATOM 404 CE LYS A 25 60.866 10.412 -10.704 1.00 2.42 C ATOM 405 NZ LYS A 25 59.495 10.769 -10.246 1.00 2.97 N ATOM 0 H LYS A 25 64.471 6.645 -7.370 1.00 0.32 H new ATOM 0 HA LYS A 25 64.668 7.029 -10.243 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.654 7.316 -8.682 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.458 8.687 -7.944 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.533 9.835 -10.181 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.700 8.472 -10.901 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.803 8.831 -9.231 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.619 10.281 -8.681 1.00 1.68 H new ATOM 0 HE2 LYS A 25 61.451 11.303 -10.931 1.00 2.42 H new ATOM 0 HE3 LYS A 25 60.835 9.812 -11.613 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.010 11.310 -10.990 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 58.959 9.901 -10.044 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.557 11.346 -9.383 1.00 2.97 H new ATOM 419 N PHE A 26 66.082 9.329 -8.365 1.00 0.38 N ATOM 420 CA PHE A 26 67.088 10.443 -8.432 1.00 0.42 C ATOM 421 C PHE A 26 68.419 9.937 -8.999 1.00 0.42 C ATOM 422 O PHE A 26 69.103 10.642 -9.718 1.00 0.46 O ATOM 423 CB PHE A 26 67.266 10.911 -6.984 1.00 0.43 C ATOM 424 CG PHE A 26 68.184 12.109 -6.947 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.683 13.409 -7.294 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.558 11.948 -6.566 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.556 14.547 -7.260 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.431 13.086 -6.532 1.00 0.64 C ATOM 429 CZ PHE A 26 69.930 14.386 -6.879 1.00 0.67 C ATOM 0 H PHE A 26 65.702 9.148 -7.436 1.00 0.38 H new ATOM 0 HA PHE A 26 66.756 11.250 -9.085 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.298 11.168 -6.553 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.680 10.104 -6.379 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.649 13.530 -7.581 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.935 10.970 -6.305 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.179 15.525 -7.521 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.465 12.965 -6.245 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.587 15.243 -6.853 1.00 0.67 H new ATOM 439 N TYR A 27 68.812 8.750 -8.625 1.00 0.39 N ATOM 440 CA TYR A 27 70.136 8.207 -9.073 1.00 0.42 C ATOM 441 C TYR A 27 70.015 7.490 -10.432 1.00 0.35 C ATOM 442 O TYR A 27 71.010 7.247 -11.092 1.00 0.37 O ATOM 443 CB TYR A 27 70.521 7.218 -7.969 1.00 0.46 C ATOM 444 CG TYR A 27 71.906 6.654 -8.197 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.125 5.647 -9.197 1.00 0.95 C ATOM 446 CD2 TYR A 27 72.996 7.093 -7.376 1.00 0.85 C ATOM 447 CE1 TYR A 27 73.430 5.081 -9.375 1.00 1.16 C ATOM 448 CE2 TYR A 27 74.304 6.533 -7.560 1.00 1.10 C ATOM 449 CZ TYR A 27 74.519 5.526 -8.557 1.00 1.18 C ATOM 450 OH TYR A 27 75.770 4.974 -8.719 1.00 1.44 O ATOM 0 H TYR A 27 68.273 8.126 -8.025 1.00 0.39 H new ATOM 0 HA TYR A 27 70.879 8.991 -9.217 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.484 7.717 -7.001 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.796 6.405 -7.936 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.305 5.315 -9.816 1.00 0.95 H new ATOM 0 HD2 TYR A 27 72.833 7.845 -6.619 1.00 0.85 H new ATOM 0 HE1 TYR A 27 73.592 4.320 -10.124 1.00 1.16 H new ATOM 0 HE2 TYR A 27 75.127 6.870 -6.947 1.00 1.10 H new ATOM 0 HH TYR A 27 76.366 5.302 -8.014 1.00 1.44 H new ATOM 460 N GLY A 28 68.812 7.186 -10.878 1.00 0.31 N ATOM 461 CA GLY A 28 68.649 6.519 -12.206 1.00 0.29 C ATOM 462 C GLY A 28 69.033 5.038 -12.087 1.00 0.26 C ATOM 463 O GLY A 28 69.746 4.510 -12.921 1.00 0.27 O ATOM 0 H GLY A 28 67.943 7.372 -10.378 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.618 6.612 -12.547 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.276 7.009 -12.950 1.00 0.29 H new ATOM 467 N ILE A 29 68.610 4.381 -11.030 1.00 0.24 N ATOM 468 CA ILE A 29 69.000 2.948 -10.821 1.00 0.23 C ATOM 469 C ILE A 29 68.013 2.014 -11.528 1.00 0.20 C ATOM 470 O ILE A 29 66.837 1.989 -11.217 1.00 0.22 O ATOM 471 CB ILE A 29 68.953 2.717 -9.300 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.924 3.677 -8.609 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.355 1.271 -8.982 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.826 3.537 -7.086 1.00 0.42 C ATOM 0 H ILE A 29 68.012 4.775 -10.304 1.00 0.24 H new ATOM 0 HA ILE A 29 69.989 2.741 -11.231 1.00 0.23 H new ATOM 0 HB ILE A 29 67.940 2.897 -8.940 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.943 3.469 -8.934 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.700 4.703 -8.901 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.320 1.112 -7.904 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.664 0.585 -9.472 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.367 1.087 -9.343 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.524 4.227 -6.612 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.811 3.769 -6.764 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.074 2.515 -6.798 1.00 0.42 H new ATOM 486 N GLU A 30 68.531 1.128 -12.340 1.00 0.17 N ATOM 487 CA GLU A 30 67.688 0.042 -12.920 1.00 0.18 C ATOM 488 C GLU A 30 68.366 -1.307 -12.668 1.00 0.17 C ATOM 489 O GLU A 30 69.556 -1.367 -12.414 1.00 0.18 O ATOM 490 CB GLU A 30 67.617 0.341 -14.419 1.00 0.22 C ATOM 491 CG GLU A 30 66.958 1.708 -14.640 1.00 1.06 C ATOM 492 CD GLU A 30 66.810 1.996 -16.143 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.494 1.359 -16.932 1.00 1.82 O ATOM 494 OE2 GLU A 30 66.010 2.853 -16.480 1.00 1.37 O ATOM 0 H GLU A 30 69.510 1.111 -12.627 1.00 0.17 H new ATOM 0 HA GLU A 30 66.692 -0.001 -12.479 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.619 0.335 -14.849 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.047 -0.436 -14.928 1.00 0.22 H new ATOM 0 HG2 GLU A 30 65.979 1.728 -14.161 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.558 2.488 -14.171 1.00 1.06 H new ATOM 501 N GLN A 31 67.623 -2.387 -12.721 1.00 0.20 N ATOM 502 CA GLN A 31 68.232 -3.736 -12.461 1.00 0.20 C ATOM 503 C GLN A 31 69.389 -3.999 -13.433 1.00 0.19 C ATOM 504 O GLN A 31 69.300 -3.704 -14.610 1.00 0.20 O ATOM 505 CB GLN A 31 67.104 -4.744 -12.693 1.00 0.25 C ATOM 506 CG GLN A 31 66.039 -4.580 -11.603 1.00 1.08 C ATOM 507 CD GLN A 31 64.852 -5.515 -11.876 1.00 1.10 C ATOM 508 OE1 GLN A 31 64.841 -6.249 -12.847 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.840 -5.513 -11.054 1.00 1.99 N ATOM 0 H GLN A 31 66.625 -2.396 -12.932 1.00 0.20 H new ATOM 0 HA GLN A 31 68.640 -3.807 -11.453 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.660 -4.589 -13.676 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.501 -5.759 -12.679 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.470 -4.803 -10.627 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.697 -3.546 -11.572 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.846 -4.899 -10.239 1.00 1.99 H new ATOM 0 HE22 GLN A 31 63.042 -6.125 -11.226 1.00 1.99 H new ATOM 518 N GLY A 32 70.464 -4.567 -12.943 1.00 0.18 N ATOM 519 CA GLY A 32 71.629 -4.874 -13.825 1.00 0.19 C ATOM 520 C GLY A 32 72.668 -3.742 -13.774 1.00 0.17 C ATOM 521 O GLY A 32 73.809 -3.942 -14.150 1.00 0.18 O ATOM 0 H GLY A 32 70.583 -4.832 -11.965 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.090 -5.811 -13.512 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.287 -5.014 -14.851 1.00 0.19 H new ATOM 525 N ASP A 33 72.307 -2.572 -13.279 1.00 0.15 N ATOM 526 CA ASP A 33 73.309 -1.463 -13.171 1.00 0.14 C ATOM 527 C ASP A 33 74.231 -1.701 -11.975 1.00 0.13 C ATOM 528 O ASP A 33 73.837 -2.319 -11.004 1.00 0.14 O ATOM 529 CB ASP A 33 72.489 -0.189 -12.964 1.00 0.13 C ATOM 530 CG ASP A 33 71.685 0.136 -14.228 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.087 -0.287 -15.301 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.682 0.813 -14.096 1.00 1.07 O ATOM 0 H ASP A 33 71.369 -2.344 -12.949 1.00 0.15 H new ATOM 0 HA ASP A 33 73.940 -1.397 -14.057 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.814 -0.316 -12.118 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.151 0.642 -12.722 1.00 0.13 H new ATOM 537 N PHE A 34 75.409 -1.124 -11.993 1.00 0.12 N ATOM 538 CA PHE A 34 76.307 -1.213 -10.806 1.00 0.11 C ATOM 539 C PHE A 34 76.435 0.160 -10.156 1.00 0.10 C ATOM 540 O PHE A 34 76.652 1.147 -10.831 1.00 0.11 O ATOM 541 CB PHE A 34 77.658 -1.668 -11.355 1.00 0.12 C ATOM 542 CG PHE A 34 77.572 -3.113 -11.780 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.155 -3.448 -13.112 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.909 -4.154 -10.851 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.074 -4.823 -13.515 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.829 -5.529 -11.254 1.00 0.20 C ATOM 547 CZ PHE A 34 77.411 -5.863 -12.586 1.00 0.21 C ATOM 0 H PHE A 34 75.784 -0.596 -12.781 1.00 0.12 H new ATOM 0 HA PHE A 34 75.927 -1.900 -10.050 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.945 -1.046 -12.203 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.430 -1.548 -10.595 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.902 -2.665 -13.811 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.223 -3.902 -9.849 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.760 -5.075 -14.517 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.083 -6.312 -10.555 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.350 -6.898 -12.889 1.00 0.21 H new ATOM 557 N VAL A 35 76.413 0.212 -8.850 1.00 0.09 N ATOM 558 CA VAL A 35 76.663 1.504 -8.147 1.00 0.09 C ATOM 559 C VAL A 35 77.707 1.290 -7.050 1.00 0.10 C ATOM 560 O VAL A 35 77.852 0.199 -6.532 1.00 0.10 O ATOM 561 CB VAL A 35 75.304 1.929 -7.571 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.301 2.118 -8.715 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.775 0.857 -6.614 1.00 0.15 C ATOM 0 H VAL A 35 76.233 -0.585 -8.240 1.00 0.09 H new ATOM 0 HA VAL A 35 77.056 2.278 -8.806 1.00 0.09 H new ATOM 0 HB VAL A 35 75.430 2.865 -7.027 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.336 2.420 -8.307 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.665 2.889 -9.394 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.188 1.180 -9.258 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.811 1.171 -6.213 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.655 -0.084 -7.152 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.481 0.720 -5.795 1.00 0.15 H new ATOM 573 N GLU A 36 78.436 2.320 -6.698 1.00 0.12 N ATOM 574 CA GLU A 36 79.478 2.185 -5.639 1.00 0.13 C ATOM 575 C GLU A 36 79.088 3.069 -4.471 1.00 0.13 C ATOM 576 O GLU A 36 78.687 4.198 -4.675 1.00 0.13 O ATOM 577 CB GLU A 36 80.777 2.672 -6.283 1.00 0.14 C ATOM 578 CG GLU A 36 81.946 2.443 -5.316 1.00 0.15 C ATOM 579 CD GLU A 36 83.254 3.015 -5.894 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.216 3.622 -6.956 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.279 2.835 -5.257 1.00 1.03 O ATOM 0 H GLU A 36 78.352 3.253 -7.102 1.00 0.12 H new ATOM 0 HA GLU A 36 79.587 1.166 -5.269 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.954 2.139 -7.217 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.698 3.731 -6.530 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.729 2.916 -4.358 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.063 1.376 -5.126 1.00 0.15 H new ATOM 588 N ILE A 37 78.959 2.489 -3.307 1.00 0.12 N ATOM 589 CA ILE A 37 78.296 3.219 -2.192 1.00 0.11 C ATOM 590 C ILE A 37 79.033 2.998 -0.864 1.00 0.11 C ATOM 591 O ILE A 37 79.737 2.021 -0.688 1.00 0.12 O ATOM 592 CB ILE A 37 76.879 2.633 -2.157 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.052 3.338 -1.080 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.933 1.130 -1.859 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.568 3.326 -1.474 1.00 0.14 C ATOM 0 H ILE A 37 79.282 1.548 -3.083 1.00 0.12 H new ATOM 0 HA ILE A 37 78.294 4.299 -2.340 1.00 0.11 H new ATOM 0 HB ILE A 37 76.413 2.786 -3.131 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.187 2.839 -0.120 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.397 4.365 -0.957 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.921 0.727 -1.837 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.508 0.625 -2.636 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.409 0.968 -0.892 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.983 3.829 -0.704 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.440 3.845 -2.424 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.226 2.296 -1.574 1.00 0.14 H new ATOM 607 N LYS A 38 78.849 3.894 0.071 1.00 0.12 N ATOM 608 CA LYS A 38 79.502 3.754 1.407 1.00 0.13 C ATOM 609 C LYS A 38 78.476 3.978 2.522 1.00 0.13 C ATOM 610 O LYS A 38 77.621 4.834 2.417 1.00 0.14 O ATOM 611 CB LYS A 38 80.566 4.855 1.434 1.00 0.13 C ATOM 612 CG LYS A 38 81.708 4.458 2.379 1.00 0.18 C ATOM 613 CD LYS A 38 81.620 5.265 3.678 1.00 0.25 C ATOM 614 CE LYS A 38 82.266 6.637 3.472 1.00 1.03 C ATOM 615 NZ LYS A 38 83.006 6.907 4.737 1.00 1.11 N ATOM 0 H LYS A 38 78.268 4.726 -0.035 1.00 0.12 H new ATOM 0 HA LYS A 38 79.928 2.763 1.561 1.00 0.13 H new ATOM 0 HB2 LYS A 38 80.955 5.021 0.429 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.121 5.794 1.762 1.00 0.13 H new ATOM 0 HG2 LYS A 38 81.654 3.392 2.600 1.00 0.18 H new ATOM 0 HG3 LYS A 38 82.669 4.635 1.896 1.00 0.18 H new ATOM 0 HD2 LYS A 38 80.578 5.383 3.975 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.123 4.732 4.485 1.00 0.25 H new ATOM 0 HE2 LYS A 38 82.939 6.632 2.614 1.00 1.03 H new ATOM 0 HE3 LYS A 38 81.514 7.403 3.283 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 83.572 7.773 4.630 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 82.328 7.030 5.516 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 83.635 6.106 4.949 1.00 1.11 H new ATOM 629 N ILE A 39 78.585 3.245 3.606 1.00 0.14 N ATOM 630 CA ILE A 39 77.644 3.449 4.757 1.00 0.14 C ATOM 631 C ILE A 39 78.399 3.957 5.983 1.00 0.13 C ATOM 632 O ILE A 39 79.555 3.634 6.188 1.00 0.13 O ATOM 633 CB ILE A 39 77.026 2.077 5.056 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.134 1.047 5.319 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.166 1.627 3.877 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.518 -0.236 5.879 1.00 0.20 C ATOM 0 H ILE A 39 79.284 2.515 3.744 1.00 0.14 H new ATOM 0 HA ILE A 39 76.882 4.189 4.512 1.00 0.14 H new ATOM 0 HB ILE A 39 76.399 2.156 5.944 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.671 0.832 4.395 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.861 1.451 6.024 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.730 0.652 4.096 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.369 2.352 3.710 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.784 1.555 2.982 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.305 -0.966 6.065 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.001 -0.014 6.812 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.808 -0.643 5.159 1.00 0.20 H new ATOM 648 N VAL A 40 77.729 4.707 6.821 1.00 0.13 N ATOM 649 CA VAL A 40 78.367 5.202 8.077 1.00 0.12 C ATOM 650 C VAL A 40 77.370 5.108 9.236 1.00 0.16 C ATOM 651 O VAL A 40 76.300 5.688 9.192 1.00 0.20 O ATOM 652 CB VAL A 40 78.727 6.668 7.801 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.429 7.265 9.026 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.667 6.757 6.594 1.00 0.16 C ATOM 0 H VAL A 40 76.761 4.999 6.687 1.00 0.13 H new ATOM 0 HA VAL A 40 79.245 4.617 8.352 1.00 0.12 H new ATOM 0 HB VAL A 40 77.812 7.223 7.592 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.684 8.306 8.828 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.764 7.212 9.888 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.339 6.702 9.234 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.918 7.801 6.404 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.579 6.196 6.801 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.174 6.337 5.717 1.00 0.16 H new ATOM 664 N LYS A 41 77.769 4.483 10.313 1.00 0.17 N ATOM 665 CA LYS A 41 76.918 4.457 11.540 1.00 0.22 C ATOM 666 C LYS A 41 77.772 4.777 12.763 1.00 0.21 C ATOM 667 O LYS A 41 78.938 4.439 12.813 1.00 0.22 O ATOM 668 CB LYS A 41 76.372 3.035 11.640 1.00 0.28 C ATOM 669 CG LYS A 41 75.390 2.962 12.813 1.00 0.54 C ATOM 670 CD LYS A 41 74.970 1.512 13.053 1.00 1.11 C ATOM 671 CE LYS A 41 74.031 1.451 14.261 1.00 1.50 C ATOM 672 NZ LYS A 41 74.906 1.086 15.409 1.00 1.98 N ATOM 0 H LYS A 41 78.655 3.985 10.396 1.00 0.17 H new ATOM 0 HA LYS A 41 76.114 5.191 11.493 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.872 2.757 10.712 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.188 2.327 11.787 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.853 3.369 13.712 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.513 3.573 12.602 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.471 1.115 12.169 1.00 1.11 H new ATOM 0 HD3 LYS A 41 75.848 0.891 13.229 1.00 1.11 H new ATOM 0 HE2 LYS A 41 73.540 2.409 14.428 1.00 1.50 H new ATOM 0 HE3 LYS A 41 73.244 0.711 14.113 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 74.351 0.561 16.115 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 75.690 0.491 15.073 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 75.288 1.950 15.843 1.00 1.98 H new ATOM 686 N TYR A 42 77.194 5.404 13.755 1.00 0.20 N ATOM 687 CA TYR A 42 77.967 5.723 14.994 1.00 0.20 C ATOM 688 C TYR A 42 77.624 4.723 16.101 1.00 0.27 C ATOM 689 O TYR A 42 76.466 4.485 16.391 1.00 0.33 O ATOM 690 CB TYR A 42 77.533 7.135 15.385 1.00 0.22 C ATOM 691 CG TYR A 42 78.512 7.694 16.389 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.787 8.179 15.945 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.172 7.739 17.782 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.723 8.709 16.893 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.109 8.270 18.732 1.00 0.25 C ATOM 696 CZ TYR A 42 80.384 8.755 18.287 1.00 0.28 C ATOM 697 OH TYR A 42 81.285 9.266 19.199 1.00 0.33 O ATOM 0 H TYR A 42 76.221 5.709 13.761 1.00 0.20 H new ATOM 0 HA TYR A 42 79.044 5.663 14.836 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.494 7.774 14.503 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.529 7.116 15.810 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.042 8.145 14.896 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.212 7.374 18.116 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.683 9.074 16.558 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.854 8.304 19.781 1.00 0.25 H new ATOM 0 HH TYR A 42 80.899 9.225 20.099 1.00 0.33 H new ATOM 707 N GLU A 43 78.624 4.133 16.715 1.00 0.29 N ATOM 708 CA GLU A 43 78.364 3.141 17.802 1.00 0.37 C ATOM 709 C GLU A 43 79.335 3.364 18.966 1.00 0.35 C ATOM 710 O GLU A 43 80.514 3.593 18.768 1.00 0.30 O ATOM 711 CB GLU A 43 78.585 1.767 17.155 1.00 0.44 C ATOM 712 CG GLU A 43 80.015 1.661 16.612 1.00 0.63 C ATOM 713 CD GLU A 43 80.150 0.388 15.776 1.00 0.80 C ATOM 714 OE1 GLU A 43 80.320 -0.668 16.364 1.00 1.48 O ATOM 715 OE2 GLU A 43 80.080 0.491 14.563 1.00 1.34 O ATOM 0 H GLU A 43 79.609 4.298 16.508 1.00 0.29 H new ATOM 0 HA GLU A 43 77.359 3.232 18.213 1.00 0.37 H new ATOM 0 HB2 GLU A 43 78.407 0.979 17.887 1.00 0.44 H new ATOM 0 HB3 GLU A 43 77.869 1.618 16.346 1.00 0.44 H new ATOM 0 HG2 GLU A 43 80.250 2.535 16.004 1.00 0.63 H new ATOM 0 HG3 GLU A 43 80.728 1.645 17.436 1.00 0.63 H new ATOM 722 N GLY A 44 78.833 3.350 20.177 1.00 0.41 N ATOM 723 CA GLY A 44 79.702 3.615 21.365 1.00 0.41 C ATOM 724 C GLY A 44 80.323 5.010 21.249 1.00 0.37 C ATOM 725 O GLY A 44 79.635 5.985 21.007 1.00 0.37 O ATOM 0 H GLY A 44 77.854 3.165 20.394 1.00 0.41 H new ATOM 0 HA2 GLY A 44 79.115 3.543 22.281 1.00 0.41 H new ATOM 0 HA3 GLY A 44 80.487 2.861 21.429 1.00 0.41 H new ATOM 729 N GLU A 45 81.624 5.101 21.384 1.00 0.37 N ATOM 730 CA GLU A 45 82.309 6.424 21.244 1.00 0.37 C ATOM 731 C GLU A 45 83.056 6.542 19.899 1.00 0.34 C ATOM 732 O GLU A 45 83.794 7.489 19.690 1.00 0.36 O ATOM 733 CB GLU A 45 83.283 6.509 22.434 1.00 0.44 C ATOM 734 CG GLU A 45 84.399 5.455 22.313 1.00 0.45 C ATOM 735 CD GLU A 45 85.352 5.561 23.510 1.00 0.54 C ATOM 736 OE1 GLU A 45 85.457 6.639 24.076 1.00 1.17 O ATOM 737 OE2 GLU A 45 85.968 4.560 23.837 1.00 1.27 O ATOM 0 H GLU A 45 82.242 4.315 21.585 1.00 0.37 H new ATOM 0 HA GLU A 45 81.591 7.244 21.250 1.00 0.37 H new ATOM 0 HB2 GLU A 45 83.723 7.505 22.478 1.00 0.44 H new ATOM 0 HB3 GLU A 45 82.737 6.360 23.366 1.00 0.44 H new ATOM 0 HG2 GLU A 45 83.964 4.456 22.271 1.00 0.45 H new ATOM 0 HG3 GLU A 45 84.950 5.602 21.384 1.00 0.45 H new ATOM 744 N GLU A 46 82.898 5.588 19.001 1.00 0.31 N ATOM 745 CA GLU A 46 83.633 5.657 17.697 1.00 0.30 C ATOM 746 C GLU A 46 82.676 5.412 16.509 1.00 0.25 C ATOM 747 O GLU A 46 81.911 4.466 16.531 1.00 0.25 O ATOM 748 CB GLU A 46 84.699 4.556 17.775 1.00 0.38 C ATOM 749 CG GLU A 46 84.040 3.187 17.978 1.00 0.41 C ATOM 750 CD GLU A 46 85.124 2.123 18.159 1.00 0.63 C ATOM 751 OE1 GLU A 46 85.668 2.039 19.247 1.00 1.37 O ATOM 752 OE2 GLU A 46 85.391 1.410 17.205 1.00 1.19 O ATOM 0 H GLU A 46 82.296 4.773 19.117 1.00 0.31 H new ATOM 0 HA GLU A 46 84.076 6.640 17.535 1.00 0.30 H new ATOM 0 HB2 GLU A 46 85.292 4.549 16.860 1.00 0.38 H new ATOM 0 HB3 GLU A 46 85.384 4.762 18.597 1.00 0.38 H new ATOM 0 HG2 GLU A 46 83.389 3.211 18.852 1.00 0.41 H new ATOM 0 HG3 GLU A 46 83.414 2.942 17.120 1.00 0.41 H new ATOM 759 N PRO A 47 82.826 6.187 15.445 1.00 0.25 N ATOM 760 CA PRO A 47 82.060 5.910 14.206 1.00 0.21 C ATOM 761 C PRO A 47 82.665 4.703 13.472 1.00 0.27 C ATOM 762 O PRO A 47 83.872 4.596 13.348 1.00 0.34 O ATOM 763 CB PRO A 47 82.203 7.186 13.366 1.00 0.24 C ATOM 764 CG PRO A 47 83.035 8.141 14.172 1.00 0.33 C ATOM 765 CD PRO A 47 83.686 7.367 15.285 1.00 0.31 C ATOM 0 HA PRO A 47 81.016 5.668 14.403 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.680 6.969 12.410 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.226 7.615 13.145 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.790 8.612 13.543 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.413 8.940 14.576 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.708 7.085 15.031 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.736 7.953 16.203 1.00 0.31 H new ATOM 773 N LYS A 48 81.839 3.900 12.843 1.00 0.26 N ATOM 774 CA LYS A 48 82.364 2.822 11.947 1.00 0.35 C ATOM 775 C LYS A 48 81.797 2.988 10.538 1.00 0.28 C ATOM 776 O LYS A 48 80.710 3.503 10.358 1.00 0.24 O ATOM 777 CB LYS A 48 81.899 1.503 12.556 1.00 0.45 C ATOM 778 CG LYS A 48 82.622 1.271 13.881 1.00 0.60 C ATOM 779 CD LYS A 48 82.843 -0.228 14.079 1.00 0.47 C ATOM 780 CE LYS A 48 83.534 -0.473 15.422 1.00 0.48 C ATOM 781 NZ LYS A 48 83.487 -1.949 15.614 1.00 1.10 N ATOM 0 H LYS A 48 80.822 3.946 12.912 1.00 0.26 H new ATOM 0 HA LYS A 48 83.450 2.860 11.867 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.821 1.524 12.717 1.00 0.45 H new ATOM 0 HB3 LYS A 48 82.103 0.681 11.869 1.00 0.45 H new ATOM 0 HG2 LYS A 48 83.578 1.795 13.884 1.00 0.60 H new ATOM 0 HG3 LYS A 48 82.034 1.676 14.705 1.00 0.60 H new ATOM 0 HD2 LYS A 48 81.889 -0.753 14.049 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.452 -0.626 13.267 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.561 -0.109 15.410 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.021 0.047 16.231 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 84.292 -2.249 16.200 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 82.599 -2.209 16.088 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 83.537 -2.421 14.689 1.00 1.10 H new ATOM 795 N GLU A 49 82.561 2.619 9.540 1.00 0.26 N ATOM 796 CA GLU A 49 82.112 2.825 8.129 1.00 0.20 C ATOM 797 C GLU A 49 82.412 1.593 7.273 1.00 0.19 C ATOM 798 O GLU A 49 83.158 0.716 7.669 1.00 0.21 O ATOM 799 CB GLU A 49 82.912 4.030 7.630 1.00 0.25 C ATOM 800 CG GLU A 49 82.570 5.261 8.478 1.00 0.80 C ATOM 801 CD GLU A 49 83.306 6.501 7.945 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.277 6.340 7.220 1.00 0.96 O ATOM 803 OE2 GLU A 49 82.882 7.597 8.274 1.00 1.42 O ATOM 0 H GLU A 49 83.478 2.183 9.642 1.00 0.26 H new ATOM 0 HA GLU A 49 81.036 2.989 8.068 1.00 0.20 H new ATOM 0 HB2 GLU A 49 83.980 3.820 7.689 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.683 4.223 6.582 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.494 5.434 8.462 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.849 5.084 9.517 1.00 0.80 H new ATOM 810 N GLY A 50 81.874 1.556 6.080 1.00 0.16 N ATOM 811 CA GLY A 50 82.157 0.425 5.150 1.00 0.16 C ATOM 812 C GLY A 50 81.871 0.866 3.715 1.00 0.15 C ATOM 813 O GLY A 50 80.862 1.482 3.445 1.00 0.17 O ATOM 0 H GLY A 50 81.245 2.268 5.709 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.197 0.112 5.246 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.540 -0.436 5.408 1.00 0.16 H new ATOM 817 N THR A 51 82.748 0.541 2.795 1.00 0.14 N ATOM 818 CA THR A 51 82.526 0.930 1.367 1.00 0.14 C ATOM 819 C THR A 51 82.641 -0.302 0.467 1.00 0.13 C ATOM 820 O THR A 51 83.567 -1.083 0.600 1.00 0.15 O ATOM 821 CB THR A 51 83.646 1.922 1.040 1.00 0.16 C ATOM 822 OG1 THR A 51 83.859 2.785 2.148 1.00 0.18 O ATOM 823 CG2 THR A 51 83.251 2.754 -0.185 1.00 0.21 C ATOM 0 H THR A 51 83.608 0.023 2.972 1.00 0.14 H new ATOM 0 HA THR A 51 81.538 1.362 1.209 1.00 0.14 H new ATOM 0 HB THR A 51 84.563 1.373 0.828 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.577 3.417 1.937 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.048 3.460 -0.418 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.091 2.094 -1.037 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.332 3.301 0.027 1.00 0.21 H new ATOM 831 N PHE A 52 81.752 -0.444 -0.488 1.00 0.12 N ATOM 832 CA PHE A 52 81.863 -1.587 -1.448 1.00 0.13 C ATOM 833 C PHE A 52 81.133 -1.270 -2.768 1.00 0.11 C ATOM 834 O PHE A 52 80.377 -0.318 -2.855 1.00 0.10 O ATOM 835 CB PHE A 52 81.246 -2.797 -0.707 1.00 0.14 C ATOM 836 CG PHE A 52 79.733 -2.696 -0.628 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.111 -1.730 0.232 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.925 -3.568 -1.430 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.679 -1.639 0.289 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.496 -3.476 -1.374 1.00 0.14 C ATOM 841 CZ PHE A 52 76.872 -2.513 -0.516 1.00 0.15 C ATOM 0 H PHE A 52 80.959 0.179 -0.643 1.00 0.12 H new ATOM 0 HA PHE A 52 82.894 -1.791 -1.736 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.523 -3.718 -1.220 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.660 -2.857 0.300 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.719 -1.072 0.835 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.394 -4.295 -2.077 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.209 -0.914 0.937 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.889 -4.133 -1.979 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.795 -2.444 -0.475 1.00 0.15 H new ATOM 851 N THR A 53 81.261 -2.139 -3.741 1.00 0.12 N ATOM 852 CA THR A 53 80.475 -1.986 -5.003 1.00 0.11 C ATOM 853 C THR A 53 79.360 -3.033 -5.038 1.00 0.11 C ATOM 854 O THR A 53 79.534 -4.143 -4.566 1.00 0.12 O ATOM 855 CB THR A 53 81.477 -2.231 -6.133 1.00 0.11 C ATOM 856 OG1 THR A 53 82.565 -1.326 -6.002 1.00 0.13 O ATOM 857 CG2 THR A 53 80.790 -2.017 -7.483 1.00 0.11 C ATOM 0 H THR A 53 81.879 -2.950 -3.714 1.00 0.12 H new ATOM 0 HA THR A 53 80.007 -1.005 -5.089 1.00 0.11 H new ATOM 0 HB THR A 53 81.847 -3.255 -6.076 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.209 -1.482 -6.724 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.505 -2.192 -8.287 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.956 -2.712 -7.581 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.418 -0.994 -7.544 1.00 0.11 H new ATOM 865 N ALA A 54 78.194 -2.658 -5.505 1.00 0.11 N ATOM 866 CA ALA A 54 77.032 -3.596 -5.470 1.00 0.13 C ATOM 867 C ALA A 54 76.192 -3.465 -6.740 1.00 0.13 C ATOM 868 O ALA A 54 76.010 -2.383 -7.263 1.00 0.11 O ATOM 869 CB ALA A 54 76.220 -3.172 -4.242 1.00 0.14 C ATOM 0 H ALA A 54 77.998 -1.742 -5.909 1.00 0.11 H new ATOM 0 HA ALA A 54 77.349 -4.637 -5.414 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.345 -3.815 -4.145 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.838 -3.262 -3.348 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.899 -2.137 -4.358 1.00 0.14 H new ATOM 875 N ARG A 55 75.615 -4.554 -7.185 1.00 0.15 N ATOM 876 CA ARG A 55 74.703 -4.501 -8.364 1.00 0.15 C ATOM 877 C ARG A 55 73.259 -4.339 -7.889 1.00 0.15 C ATOM 878 O ARG A 55 72.872 -4.875 -6.866 1.00 0.16 O ATOM 879 CB ARG A 55 74.882 -5.841 -9.074 1.00 0.19 C ATOM 880 CG ARG A 55 74.255 -5.766 -10.468 1.00 0.27 C ATOM 881 CD ARG A 55 74.273 -7.154 -11.112 1.00 0.45 C ATOM 882 NE ARG A 55 73.905 -6.927 -12.546 1.00 0.90 N ATOM 883 CZ ARG A 55 73.425 -7.898 -13.304 1.00 1.48 C ATOM 884 NH1 ARG A 55 73.250 -9.119 -12.845 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.118 -7.639 -14.545 1.00 2.21 N ATOM 0 H ARG A 55 75.739 -5.481 -6.778 1.00 0.15 H new ATOM 0 HA ARG A 55 74.927 -3.663 -9.024 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.942 -6.085 -9.152 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.414 -6.637 -8.495 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.231 -5.399 -10.398 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.805 -5.059 -11.088 1.00 0.27 H new ATOM 0 HD2 ARG A 55 75.257 -7.615 -11.026 1.00 0.45 H new ATOM 0 HD3 ARG A 55 73.564 -7.823 -10.625 1.00 0.45 H new ATOM 0 HE ARG A 55 74.028 -5.998 -12.949 1.00 0.90 H new ATOM 0 HH11 ARG A 55 73.487 -9.339 -11.878 1.00 1.67 H new ATOM 0 HH12 ARG A 55 72.877 -9.845 -13.457 1.00 1.67 H new ATOM 0 HH21 ARG A 55 73.249 -6.698 -14.917 1.00 2.21 H new ATOM 0 HH22 ARG A 55 72.747 -8.377 -15.143 1.00 2.21 H new ATOM 899 N VAL A 56 72.463 -3.617 -8.632 1.00 0.14 N ATOM 900 CA VAL A 56 71.033 -3.423 -8.243 1.00 0.14 C ATOM 901 C VAL A 56 70.219 -4.656 -8.631 1.00 0.15 C ATOM 902 O VAL A 56 70.200 -5.068 -9.777 1.00 0.17 O ATOM 903 CB VAL A 56 70.574 -2.183 -9.021 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.081 -1.909 -8.765 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.399 -0.978 -8.561 1.00 0.17 C ATOM 0 H VAL A 56 72.742 -3.151 -9.495 1.00 0.14 H new ATOM 0 HA VAL A 56 70.902 -3.288 -7.169 1.00 0.14 H new ATOM 0 HB VAL A 56 70.718 -2.355 -10.088 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.772 -1.026 -9.324 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.493 -2.768 -9.088 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.920 -1.739 -7.701 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.082 -0.090 -9.107 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.248 -0.820 -7.493 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.455 -1.165 -8.755 1.00 0.17 H new ATOM 915 N GLY A 57 69.530 -5.222 -7.678 1.00 0.16 N ATOM 916 CA GLY A 57 68.680 -6.413 -7.957 1.00 0.19 C ATOM 917 C GLY A 57 67.209 -6.006 -8.013 1.00 0.18 C ATOM 918 O GLY A 57 66.869 -4.838 -8.113 1.00 0.16 O ATOM 0 H GLY A 57 69.520 -4.906 -6.708 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.976 -6.867 -8.903 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.828 -7.165 -7.182 1.00 0.19 H new ATOM 922 N GLU A 58 66.335 -6.974 -7.954 1.00 0.21 N ATOM 923 CA GLU A 58 64.870 -6.681 -8.018 1.00 0.22 C ATOM 924 C GLU A 58 64.456 -5.804 -6.832 1.00 0.22 C ATOM 925 O GLU A 58 65.066 -5.833 -5.780 1.00 0.24 O ATOM 926 CB GLU A 58 64.182 -8.049 -7.946 1.00 0.27 C ATOM 927 CG GLU A 58 62.671 -7.883 -8.154 1.00 0.81 C ATOM 928 CD GLU A 58 61.950 -9.237 -8.029 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.595 -10.222 -7.696 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.753 -9.264 -8.267 1.00 1.39 O ATOM 0 H GLU A 58 66.572 -7.962 -7.864 1.00 0.21 H new ATOM 0 HA GLU A 58 64.597 -6.140 -8.924 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.592 -8.713 -8.707 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.376 -8.514 -6.979 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.273 -7.185 -7.418 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.480 -7.453 -9.137 1.00 0.81 H new ATOM 937 N GLN A 59 63.428 -5.011 -7.007 1.00 0.25 N ATOM 938 CA GLN A 59 62.948 -4.104 -5.912 1.00 0.30 C ATOM 939 C GLN A 59 64.077 -3.223 -5.355 1.00 0.23 C ATOM 940 O GLN A 59 63.919 -2.624 -4.306 1.00 0.23 O ATOM 941 CB GLN A 59 62.405 -5.033 -4.820 1.00 0.37 C ATOM 942 CG GLN A 59 61.073 -5.631 -5.278 1.00 0.46 C ATOM 943 CD GLN A 59 60.658 -6.760 -4.332 1.00 0.56 C ATOM 944 OE1 GLN A 59 61.122 -6.837 -3.210 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.799 -7.652 -4.744 1.00 0.81 N ATOM 0 H GLN A 59 62.892 -4.951 -7.873 1.00 0.25 H new ATOM 0 HA GLN A 59 62.190 -3.415 -6.285 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.122 -5.828 -4.614 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.268 -4.479 -3.891 1.00 0.37 H new ATOM 0 HG2 GLN A 59 60.304 -4.858 -5.296 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.166 -6.012 -6.295 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.409 -7.588 -5.684 1.00 0.81 H new ATOM 0 HE22 GLN A 59 59.517 -8.413 -4.126 1.00 0.81 H new ATOM 954 N GLY A 60 65.140 -3.009 -6.109 1.00 0.19 N ATOM 955 CA GLY A 60 66.170 -2.008 -5.677 1.00 0.16 C ATOM 956 C GLY A 60 67.000 -2.551 -4.509 1.00 0.12 C ATOM 957 O GLY A 60 67.558 -1.786 -3.738 1.00 0.12 O ATOM 0 H GLY A 60 65.333 -3.480 -6.993 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.825 -1.769 -6.515 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.680 -1.080 -5.381 1.00 0.16 H new ATOM 961 N SER A 61 67.025 -3.850 -4.323 1.00 0.14 N ATOM 962 CA SER A 61 67.758 -4.428 -3.155 1.00 0.16 C ATOM 963 C SER A 61 69.265 -4.454 -3.431 1.00 0.15 C ATOM 964 O SER A 61 69.695 -4.736 -4.534 1.00 0.18 O ATOM 965 CB SER A 61 67.218 -5.850 -3.002 1.00 0.21 C ATOM 966 OG SER A 61 65.798 -5.820 -3.053 1.00 1.30 O ATOM 0 H SER A 61 66.570 -4.532 -4.929 1.00 0.14 H new ATOM 0 HA SER A 61 67.611 -3.839 -2.250 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.609 -6.487 -3.795 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.551 -6.278 -2.056 1.00 0.21 H new ATOM 0 HG SER A 61 65.503 -5.870 -3.986 1.00 1.30 H new ATOM 972 N VAL A 62 70.061 -4.252 -2.412 1.00 0.14 N ATOM 973 CA VAL A 62 71.544 -4.366 -2.563 1.00 0.15 C ATOM 974 C VAL A 62 72.137 -5.075 -1.336 1.00 0.14 C ATOM 975 O VAL A 62 71.580 -5.014 -0.256 1.00 0.14 O ATOM 976 CB VAL A 62 72.047 -2.921 -2.679 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.682 -2.129 -1.420 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.567 -2.924 -2.852 1.00 0.21 C ATOM 0 H VAL A 62 69.744 -4.011 -1.473 1.00 0.14 H new ATOM 0 HA VAL A 62 71.838 -4.953 -3.433 1.00 0.15 H new ATOM 0 HB VAL A 62 71.576 -2.451 -3.543 1.00 0.17 H new ATOM 0 HG11 VAL A 62 72.045 -1.106 -1.516 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.599 -2.120 -1.297 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.142 -2.597 -0.550 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.926 -1.898 -2.935 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.030 -3.402 -1.989 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.829 -3.474 -3.756 1.00 0.21 H new ATOM 988 N ILE A 63 73.202 -5.821 -1.518 1.00 0.16 N ATOM 989 CA ILE A 63 73.766 -6.625 -0.383 1.00 0.17 C ATOM 990 C ILE A 63 75.094 -6.026 0.097 1.00 0.16 C ATOM 991 O ILE A 63 76.063 -5.986 -0.640 1.00 0.19 O ATOM 992 CB ILE A 63 73.997 -8.033 -0.956 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.689 -8.603 -1.540 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.509 -8.962 0.150 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.602 -8.672 -0.460 1.00 0.34 C ATOM 0 H ILE A 63 73.705 -5.908 -2.401 1.00 0.16 H new ATOM 0 HA ILE A 63 73.093 -6.636 0.474 1.00 0.17 H new ATOM 0 HB ILE A 63 74.737 -7.966 -1.753 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.350 -7.978 -2.366 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.869 -9.598 -1.947 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.672 -9.959 -0.259 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.448 -8.574 0.545 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.772 -9.014 0.951 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.686 -9.077 -0.891 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.937 -9.317 0.352 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.410 -7.671 -0.073 1.00 0.34 H new ATOM 1007 N ILE A 64 75.181 -5.700 1.366 1.00 0.15 N ATOM 1008 CA ILE A 64 76.491 -5.266 1.950 1.00 0.16 C ATOM 1009 C ILE A 64 77.370 -6.502 2.223 1.00 0.18 C ATOM 1010 O ILE A 64 76.858 -7.534 2.598 1.00 0.20 O ATOM 1011 CB ILE A 64 76.132 -4.552 3.259 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.232 -3.349 2.957 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.408 -4.063 3.950 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.620 -2.829 4.259 1.00 0.32 C ATOM 0 H ILE A 64 74.401 -5.716 2.023 1.00 0.15 H new ATOM 0 HA ILE A 64 77.052 -4.613 1.282 1.00 0.16 H new ATOM 0 HB ILE A 64 75.608 -5.249 3.913 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.810 -2.561 2.475 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.443 -3.637 2.262 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.147 -3.557 4.879 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.052 -4.914 4.169 1.00 0.34 H new ATOM 0 HG23 ILE A 64 77.934 -3.369 3.294 1.00 0.34 H new ATOM 0 HD11 ILE A 64 73.980 -1.973 4.044 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.028 -3.618 4.723 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.416 -2.525 4.939 1.00 0.32 H new ATOM 1026 N PRO A 65 78.666 -6.381 2.010 1.00 0.19 N ATOM 1027 CA PRO A 65 79.578 -7.547 2.220 1.00 0.23 C ATOM 1028 C PRO A 65 79.595 -7.970 3.694 1.00 0.26 C ATOM 1029 O PRO A 65 79.711 -7.151 4.587 1.00 0.23 O ATOM 1030 CB PRO A 65 80.937 -7.001 1.784 1.00 0.26 C ATOM 1031 CG PRO A 65 80.813 -5.535 2.008 1.00 0.24 C ATOM 1032 CD PRO A 65 79.420 -5.191 1.576 1.00 0.21 C ATOM 0 HA PRO A 65 79.278 -8.437 1.667 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.749 -7.429 2.372 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.145 -7.231 0.739 1.00 0.26 H new ATOM 0 HG2 PRO A 65 80.975 -5.281 3.056 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.553 -4.984 1.428 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.057 -4.281 2.053 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.353 -5.035 0.499 1.00 0.21 H new ATOM 1040 N LYS A 66 79.493 -9.253 3.949 1.00 0.41 N ATOM 1041 CA LYS A 66 79.509 -9.762 5.363 1.00 0.51 C ATOM 1042 C LYS A 66 80.761 -9.280 6.102 1.00 0.44 C ATOM 1043 O LYS A 66 80.735 -9.036 7.295 1.00 0.42 O ATOM 1044 CB LYS A 66 79.520 -11.289 5.243 1.00 0.69 C ATOM 1045 CG LYS A 66 79.435 -11.916 6.636 1.00 0.96 C ATOM 1046 CD LYS A 66 78.005 -11.796 7.165 1.00 1.31 C ATOM 1047 CE LYS A 66 77.899 -12.504 8.517 1.00 1.89 C ATOM 1048 NZ LYS A 66 76.456 -12.845 8.661 1.00 2.62 N ATOM 0 H LYS A 66 79.399 -9.976 3.236 1.00 0.41 H new ATOM 0 HA LYS A 66 78.651 -9.400 5.929 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.681 -11.622 4.632 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.430 -11.617 4.741 1.00 0.69 H new ATOM 0 HG2 LYS A 66 79.731 -12.964 6.593 1.00 0.96 H new ATOM 0 HG3 LYS A 66 80.128 -11.417 7.314 1.00 0.96 H new ATOM 0 HD2 LYS A 66 77.732 -10.746 7.270 1.00 1.31 H new ATOM 0 HD3 LYS A 66 77.305 -12.238 6.455 1.00 1.31 H new ATOM 0 HE2 LYS A 66 78.521 -13.399 8.544 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.235 -11.858 9.328 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 76.304 -13.334 9.566 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 75.889 -11.973 8.639 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 76.166 -13.466 7.879 1.00 2.62 H new ATOM 1062 N ALA A 67 81.862 -9.176 5.401 1.00 0.43 N ATOM 1063 CA ALA A 67 83.144 -8.752 6.057 1.00 0.40 C ATOM 1064 C ALA A 67 82.982 -7.371 6.697 1.00 0.30 C ATOM 1065 O ALA A 67 83.488 -7.112 7.777 1.00 0.28 O ATOM 1066 CB ALA A 67 84.179 -8.698 4.930 1.00 0.45 C ATOM 0 H ALA A 67 81.932 -9.366 4.401 1.00 0.43 H new ATOM 0 HA ALA A 67 83.442 -9.439 6.849 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.144 -8.394 5.336 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.272 -9.683 4.474 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.859 -7.978 4.177 1.00 0.45 H new ATOM 1072 N LEU A 68 82.260 -6.493 6.046 1.00 0.27 N ATOM 1073 CA LEU A 68 82.045 -5.128 6.613 1.00 0.23 C ATOM 1074 C LEU A 68 81.000 -5.165 7.728 1.00 0.22 C ATOM 1075 O LEU A 68 81.098 -4.424 8.688 1.00 0.22 O ATOM 1076 CB LEU A 68 81.568 -4.256 5.444 1.00 0.28 C ATOM 1077 CG LEU A 68 82.706 -4.058 4.429 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.211 -3.182 3.275 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.897 -3.361 5.101 1.00 1.82 C ATOM 0 H LEU A 68 81.811 -6.663 5.146 1.00 0.27 H new ATOM 0 HA LEU A 68 82.959 -4.731 7.056 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.714 -4.725 4.956 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.231 -3.289 5.816 1.00 0.28 H new ATOM 0 HG LEU A 68 83.018 -5.033 4.055 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.016 -3.040 2.554 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.367 -3.668 2.785 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.897 -2.213 3.663 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.697 -3.226 4.373 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.583 -2.388 5.480 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.258 -3.973 5.928 1.00 1.82 H new ATOM 1091 N ARG A 69 80.018 -6.040 7.636 1.00 0.25 N ATOM 1092 CA ARG A 69 78.989 -6.129 8.729 1.00 0.28 C ATOM 1093 C ARG A 69 79.675 -6.440 10.062 1.00 0.25 C ATOM 1094 O ARG A 69 79.336 -5.886 11.091 1.00 0.26 O ATOM 1095 CB ARG A 69 78.081 -7.316 8.383 1.00 0.35 C ATOM 1096 CG ARG A 69 77.472 -7.190 6.985 1.00 0.46 C ATOM 1097 CD ARG A 69 76.374 -8.252 6.850 1.00 0.56 C ATOM 1098 NE ARG A 69 76.332 -8.624 5.399 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.861 -9.795 4.997 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.374 -10.681 5.841 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.866 -10.076 3.724 1.00 2.30 N ATOM 0 H ARG A 69 79.886 -6.689 6.860 1.00 0.25 H new ATOM 0 HA ARG A 69 78.438 -5.192 8.812 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.655 -8.241 8.445 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.282 -7.387 9.121 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.058 -6.193 6.838 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.237 -7.333 6.222 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.595 -9.122 7.469 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.411 -7.862 7.180 1.00 0.56 H new ATOM 0 HE ARG A 69 76.674 -7.960 4.705 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.351 -10.475 6.840 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.020 -11.573 5.496 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.229 -9.398 3.054 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.507 -10.973 3.398 1.00 2.30 H new ATOM 1115 N ASP A 70 80.572 -7.394 10.047 1.00 0.25 N ATOM 1116 CA ASP A 70 81.223 -7.843 11.316 1.00 0.25 C ATOM 1117 C ASP A 70 82.160 -6.760 11.847 1.00 0.22 C ATOM 1118 O ASP A 70 82.144 -6.442 13.021 1.00 0.22 O ATOM 1119 CB ASP A 70 82.016 -9.102 10.947 1.00 0.27 C ATOM 1120 CG ASP A 70 81.058 -10.205 10.483 1.00 0.91 C ATOM 1121 OD1 ASP A 70 79.927 -10.220 10.944 1.00 1.56 O ATOM 1122 OD2 ASP A 70 81.475 -11.022 9.679 1.00 1.68 O ATOM 0 H ASP A 70 80.883 -7.883 9.207 1.00 0.25 H new ATOM 0 HA ASP A 70 80.490 -8.041 12.098 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.731 -8.873 10.157 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.591 -9.446 11.807 1.00 0.27 H new ATOM 1127 N VAL A 71 82.978 -6.196 10.992 1.00 0.21 N ATOM 1128 CA VAL A 71 83.946 -5.146 11.452 1.00 0.21 C ATOM 1129 C VAL A 71 83.182 -3.954 12.042 1.00 0.21 C ATOM 1130 O VAL A 71 83.625 -3.332 12.991 1.00 0.22 O ATOM 1131 CB VAL A 71 84.717 -4.736 10.186 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.685 -3.590 10.498 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.510 -5.938 9.666 1.00 0.28 C ATOM 0 H VAL A 71 83.019 -6.415 9.997 1.00 0.21 H new ATOM 0 HA VAL A 71 84.618 -5.506 12.232 1.00 0.21 H new ATOM 0 HB VAL A 71 84.005 -4.402 9.431 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.223 -3.311 9.592 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.125 -2.731 10.866 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.397 -3.912 11.258 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.058 -5.652 8.768 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.213 -6.268 10.431 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.824 -6.751 9.428 1.00 0.28 H new ATOM 1143 N ILE A 72 82.078 -3.601 11.443 1.00 0.21 N ATOM 1144 CA ILE A 72 81.310 -2.406 11.907 1.00 0.22 C ATOM 1145 C ILE A 72 80.397 -2.762 13.097 1.00 0.22 C ATOM 1146 O ILE A 72 79.977 -1.884 13.830 1.00 0.23 O ATOM 1147 CB ILE A 72 80.481 -1.964 10.693 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.416 -1.622 9.527 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.663 -0.719 11.053 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.587 -1.354 8.272 1.00 0.28 C ATOM 0 H ILE A 72 81.671 -4.091 10.647 1.00 0.21 H new ATOM 0 HA ILE A 72 81.970 -1.613 12.259 1.00 0.22 H new ATOM 0 HB ILE A 72 79.812 -2.775 10.405 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.017 -0.746 9.773 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.109 -2.444 9.349 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.075 -0.407 10.189 1.00 0.27 H new ATOM 0 HG22 ILE A 72 78.995 -0.950 11.882 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.336 0.087 11.344 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.251 -1.111 7.442 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.006 -2.242 8.023 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.912 -0.518 8.454 1.00 0.28 H new ATOM 1162 N GLY A 73 80.141 -4.033 13.339 1.00 0.21 N ATOM 1163 CA GLY A 73 79.323 -4.419 14.533 1.00 0.21 C ATOM 1164 C GLY A 73 77.841 -4.132 14.266 1.00 0.20 C ATOM 1165 O GLY A 73 77.135 -3.650 15.133 1.00 0.22 O ATOM 0 H GLY A 73 80.463 -4.811 12.763 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.463 -5.477 14.754 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.658 -3.863 15.409 1.00 0.21 H new ATOM 1169 N ILE A 74 77.400 -4.312 13.044 1.00 0.20 N ATOM 1170 CA ILE A 74 75.998 -3.924 12.678 1.00 0.21 C ATOM 1171 C ILE A 74 75.030 -5.090 12.919 1.00 0.21 C ATOM 1172 O ILE A 74 75.380 -6.246 12.772 1.00 0.23 O ATOM 1173 CB ILE A 74 76.054 -3.559 11.187 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.062 -2.416 10.961 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.666 -3.121 10.705 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.659 -1.169 11.763 1.00 0.77 C ATOM 0 H ILE A 74 77.950 -4.711 12.283 1.00 0.20 H new ATOM 0 HA ILE A 74 75.636 -3.093 13.284 1.00 0.21 H new ATOM 0 HB ILE A 74 76.373 -4.435 10.622 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.059 -2.740 11.259 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.110 -2.172 9.900 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.713 -2.864 9.647 1.00 0.27 H new ATOM 0 HG22 ILE A 74 73.957 -3.936 10.849 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.340 -2.251 11.276 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.384 -0.374 11.589 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.671 -0.835 11.445 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.635 -1.412 12.825 1.00 0.77 H new ATOM 1188 N LYS A 75 73.821 -4.779 13.315 1.00 0.22 N ATOM 1189 CA LYS A 75 72.810 -5.843 13.605 1.00 0.24 C ATOM 1190 C LYS A 75 71.449 -5.484 12.965 1.00 0.24 C ATOM 1191 O LYS A 75 71.225 -4.342 12.610 1.00 0.23 O ATOM 1192 CB LYS A 75 72.713 -5.893 15.140 1.00 0.29 C ATOM 1193 CG LYS A 75 72.196 -4.555 15.693 1.00 1.19 C ATOM 1194 CD LYS A 75 72.989 -4.166 16.944 1.00 1.71 C ATOM 1195 CE LYS A 75 72.550 -5.042 18.119 1.00 2.52 C ATOM 1196 NZ LYS A 75 73.738 -5.108 19.015 1.00 3.21 N ATOM 0 H LYS A 75 73.488 -3.825 13.451 1.00 0.22 H new ATOM 0 HA LYS A 75 73.094 -6.810 13.191 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.045 -6.700 15.442 1.00 0.29 H new ATOM 0 HB3 LYS A 75 73.692 -6.114 15.565 1.00 0.29 H new ATOM 0 HG2 LYS A 75 72.291 -3.777 14.935 1.00 1.19 H new ATOM 0 HG3 LYS A 75 71.136 -4.637 15.935 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.057 -4.289 16.764 1.00 1.71 H new ATOM 0 HD3 LYS A 75 72.825 -3.114 17.179 1.00 1.71 H new ATOM 0 HE2 LYS A 75 71.691 -4.611 18.633 1.00 2.52 H new ATOM 0 HE3 LYS A 75 72.254 -6.035 17.782 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 73.514 -5.693 19.845 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 74.538 -5.529 18.500 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 73.992 -4.149 19.326 1.00 3.21 H new ATOM 1210 N PRO A 76 70.569 -6.462 12.835 1.00 0.25 N ATOM 1211 CA PRO A 76 69.236 -6.193 12.229 1.00 0.26 C ATOM 1212 C PRO A 76 68.487 -5.096 13.002 1.00 0.24 C ATOM 1213 O PRO A 76 68.374 -5.145 14.212 1.00 0.23 O ATOM 1214 CB PRO A 76 68.493 -7.529 12.330 1.00 0.29 C ATOM 1215 CG PRO A 76 69.295 -8.376 13.268 1.00 0.50 C ATOM 1216 CD PRO A 76 70.711 -7.876 13.219 1.00 0.28 C ATOM 0 HA PRO A 76 69.317 -5.836 11.202 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.479 -7.385 12.704 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.407 -8.003 11.352 1.00 0.29 H new ATOM 0 HG2 PRO A 76 68.898 -8.309 14.281 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.247 -9.425 12.975 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.206 -7.981 14.184 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.306 -8.430 12.493 1.00 0.28 H new ATOM 1224 N GLY A 77 67.912 -4.153 12.293 1.00 0.24 N ATOM 1225 CA GLY A 77 67.089 -3.094 12.956 1.00 0.24 C ATOM 1226 C GLY A 77 67.934 -1.845 13.276 1.00 0.22 C ATOM 1227 O GLY A 77 67.422 -0.883 13.820 1.00 0.24 O ATOM 0 H GLY A 77 67.979 -4.072 11.278 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.258 -2.817 12.307 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.657 -3.489 13.876 1.00 0.24 H new ATOM 1231 N GLU A 78 69.207 -1.836 12.934 1.00 0.20 N ATOM 1232 CA GLU A 78 70.057 -0.630 13.210 1.00 0.20 C ATOM 1233 C GLU A 78 70.091 0.286 11.988 1.00 0.18 C ATOM 1234 O GLU A 78 70.272 -0.170 10.875 1.00 0.18 O ATOM 1235 CB GLU A 78 71.453 -1.177 13.519 1.00 0.20 C ATOM 1236 CG GLU A 78 71.692 -1.157 15.035 1.00 0.22 C ATOM 1237 CD GLU A 78 73.160 -1.475 15.344 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.786 -2.147 14.541 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.632 -1.039 16.381 1.00 1.11 O ATOM 0 H GLU A 78 69.690 -2.610 12.478 1.00 0.20 H new ATOM 0 HA GLU A 78 69.668 -0.036 14.037 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.548 -2.194 13.139 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.210 -0.577 13.014 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.432 -0.179 15.439 1.00 0.22 H new ATOM 0 HG3 GLU A 78 71.044 -1.886 15.522 1.00 0.22 H new ATOM 1246 N VAL A 79 69.831 1.557 12.182 1.00 0.19 N ATOM 1247 CA VAL A 79 69.733 2.494 11.021 1.00 0.18 C ATOM 1248 C VAL A 79 71.087 3.152 10.724 1.00 0.18 C ATOM 1249 O VAL A 79 71.737 3.696 11.597 1.00 0.19 O ATOM 1250 CB VAL A 79 68.690 3.540 11.444 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.168 4.304 12.693 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.461 4.522 10.288 1.00 0.21 C ATOM 0 H VAL A 79 69.682 1.985 13.096 1.00 0.19 H new ATOM 0 HA VAL A 79 69.446 1.978 10.105 1.00 0.18 H new ATOM 0 HB VAL A 79 67.756 3.033 11.686 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.417 5.041 12.978 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.318 3.602 13.513 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.108 4.811 12.472 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.721 5.266 10.584 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.399 5.020 10.043 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.100 3.978 9.415 1.00 0.21 H new ATOM 1262 N ILE A 80 71.466 3.159 9.475 1.00 0.17 N ATOM 1263 CA ILE A 80 72.724 3.838 9.050 1.00 0.17 C ATOM 1264 C ILE A 80 72.406 4.863 7.953 1.00 0.17 C ATOM 1265 O ILE A 80 71.436 4.721 7.229 1.00 0.17 O ATOM 1266 CB ILE A 80 73.632 2.717 8.513 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.953 2.019 7.330 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.899 1.699 9.623 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.916 1.006 6.707 1.00 0.18 C ATOM 0 H ILE A 80 70.947 2.715 8.717 1.00 0.17 H new ATOM 0 HA ILE A 80 73.206 4.378 9.865 1.00 0.17 H new ATOM 0 HB ILE A 80 74.576 3.149 8.180 1.00 0.17 H new ATOM 0 HG12 ILE A 80 72.046 1.515 7.664 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.652 2.755 6.585 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.542 0.906 9.242 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.391 2.194 10.460 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.955 1.271 9.959 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.430 0.511 5.866 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.810 1.522 6.357 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.195 0.262 7.453 1.00 0.18 H new ATOM 1281 N GLU A 81 73.277 5.815 7.757 1.00 0.18 N ATOM 1282 CA GLU A 81 73.113 6.772 6.626 1.00 0.18 C ATOM 1283 C GLU A 81 73.981 6.317 5.458 1.00 0.17 C ATOM 1284 O GLU A 81 75.097 5.869 5.649 1.00 0.19 O ATOM 1285 CB GLU A 81 73.598 8.118 7.166 1.00 0.20 C ATOM 1286 CG GLU A 81 73.413 9.198 6.091 1.00 0.21 C ATOM 1287 CD GLU A 81 73.963 10.552 6.575 1.00 0.23 C ATOM 1288 OE1 GLU A 81 74.538 10.605 7.653 1.00 1.14 O ATOM 1289 OE2 GLU A 81 73.798 11.520 5.850 1.00 1.04 O ATOM 0 H GLU A 81 74.102 5.972 8.337 1.00 0.18 H new ATOM 0 HA GLU A 81 72.085 6.834 6.269 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.040 8.384 8.064 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.648 8.050 7.452 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.925 8.898 5.177 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.355 9.297 5.847 1.00 0.21 H new ATOM 1296 N VAL A 82 73.415 6.280 4.281 1.00 0.16 N ATOM 1297 CA VAL A 82 74.130 5.681 3.118 1.00 0.17 C ATOM 1298 C VAL A 82 74.419 6.755 2.067 1.00 0.16 C ATOM 1299 O VAL A 82 73.536 7.474 1.637 1.00 0.17 O ATOM 1300 CB VAL A 82 73.167 4.617 2.576 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.771 3.946 1.342 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.926 3.556 3.652 1.00 0.19 C ATOM 0 H VAL A 82 72.484 6.641 4.075 1.00 0.16 H new ATOM 0 HA VAL A 82 75.094 5.251 3.391 1.00 0.17 H new ATOM 0 HB VAL A 82 72.225 5.094 2.305 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.081 3.192 0.963 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.948 4.695 0.571 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.715 3.472 1.611 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.242 2.799 3.269 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.873 3.088 3.920 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.491 4.025 4.535 1.00 0.19 H new ATOM 1312 N LEU A 83 75.651 6.839 1.642 1.00 0.16 N ATOM 1313 CA LEU A 83 76.037 7.836 0.598 1.00 0.17 C ATOM 1314 C LEU A 83 76.490 7.095 -0.662 1.00 0.15 C ATOM 1315 O LEU A 83 77.418 6.312 -0.607 1.00 0.12 O ATOM 1316 CB LEU A 83 77.235 8.615 1.178 1.00 0.21 C ATOM 1317 CG LEU A 83 76.938 9.129 2.593 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.164 9.869 3.128 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.741 10.077 2.554 1.00 0.20 C ATOM 0 H LEU A 83 76.416 6.253 1.977 1.00 0.16 H new ATOM 0 HA LEU A 83 75.207 8.495 0.342 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.113 7.970 1.201 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.474 9.456 0.527 1.00 0.21 H new ATOM 0 HG LEU A 83 76.706 8.288 3.246 1.00 0.20 H new ATOM 0 HD11 LEU A 83 77.957 10.236 4.133 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.015 9.189 3.158 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.395 10.711 2.475 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.532 10.441 3.560 1.00 0.20 H new ATOM 0 HD22 LEU A 83 75.967 10.921 1.902 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.869 9.546 2.172 1.00 0.20 H new ATOM 1331 N LEU A 84 75.950 7.435 -1.806 1.00 0.16 N ATOM 1332 CA LEU A 84 76.476 6.857 -3.082 1.00 0.15 C ATOM 1333 C LEU A 84 77.749 7.594 -3.496 1.00 0.15 C ATOM 1334 O LEU A 84 77.870 8.786 -3.297 1.00 0.17 O ATOM 1335 CB LEU A 84 75.370 7.060 -4.112 1.00 0.18 C ATOM 1336 CG LEU A 84 74.394 5.882 -4.039 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.980 6.336 -4.443 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.880 4.777 -4.983 1.00 0.28 C ATOM 0 H LEU A 84 75.171 8.085 -1.912 1.00 0.16 H new ATOM 0 HA LEU A 84 76.733 5.802 -2.983 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.845 7.996 -3.920 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.797 7.133 -5.112 1.00 0.18 H new ATOM 0 HG LEU A 84 74.355 5.504 -3.018 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.296 5.489 -4.387 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.642 7.121 -3.766 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.999 6.720 -5.463 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.192 3.933 -4.939 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.919 5.161 -6.003 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.875 4.451 -4.680 1.00 0.28 H new ATOM 1350 N LEU A 85 78.724 6.877 -3.997 1.00 0.14 N ATOM 1351 CA LEU A 85 80.030 7.514 -4.345 1.00 0.17 C ATOM 1352 C LEU A 85 80.224 7.572 -5.861 1.00 0.18 C ATOM 1353 O LEU A 85 80.891 8.459 -6.366 1.00 0.24 O ATOM 1354 CB LEU A 85 81.091 6.626 -3.695 1.00 0.22 C ATOM 1355 CG LEU A 85 81.375 7.129 -2.279 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.131 6.054 -1.496 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.226 8.400 -2.352 1.00 1.60 C ATOM 0 H LEU A 85 78.671 5.875 -4.180 1.00 0.14 H new ATOM 0 HA LEU A 85 80.086 8.543 -3.991 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.747 5.592 -3.664 1.00 0.22 H new ATOM 0 HB3 LEU A 85 82.005 6.639 -4.288 1.00 0.22 H new ATOM 0 HG LEU A 85 80.433 7.349 -1.776 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.333 6.413 -0.487 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.526 5.149 -1.445 1.00 1.13 H new ATOM 0 HD13 LEU A 85 83.073 5.833 -1.998 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.429 8.760 -1.344 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.167 8.179 -2.855 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.688 9.167 -2.909 1.00 1.60 H new ATOM 1369 N GLY A 86 79.704 6.605 -6.583 1.00 0.16 N ATOM 1370 CA GLY A 86 79.931 6.581 -8.069 1.00 0.20 C ATOM 1371 C GLY A 86 79.008 5.567 -8.748 1.00 0.17 C ATOM 1372 O GLY A 86 78.177 4.950 -8.113 1.00 0.15 O ATOM 0 H GLY A 86 79.139 5.840 -6.215 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.754 7.574 -8.484 1.00 0.20 H new ATOM 0 HA3 GLY A 86 80.971 6.329 -8.278 1.00 0.20 H new ATOM 1376 N HIS A 87 79.121 5.435 -10.051 1.00 0.20 N ATOM 1377 CA HIS A 87 78.213 4.514 -10.810 1.00 0.19 C ATOM 1378 C HIS A 87 78.976 3.817 -11.949 1.00 0.19 C ATOM 1379 O HIS A 87 79.872 4.389 -12.542 1.00 0.24 O ATOM 1380 CB HIS A 87 77.107 5.423 -11.377 1.00 0.28 C ATOM 1381 CG HIS A 87 77.702 6.483 -12.273 1.00 0.76 C ATOM 1382 ND1 HIS A 87 77.935 6.265 -13.622 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.113 7.769 -12.025 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.463 7.394 -14.129 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.593 8.343 -13.198 1.00 1.89 N ATOM 0 H HIS A 87 79.806 5.928 -10.623 1.00 0.20 H new ATOM 0 HA HIS A 87 77.810 3.724 -10.176 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.389 4.825 -11.938 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.560 5.894 -10.560 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.070 8.261 -11.064 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.747 7.518 -15.164 1.00 1.57 H new ATOM 0 HE2 HIS A 87 78.964 9.285 -13.321 1.00 1.89 H new ATOM 1393 N TYR A 88 78.568 2.620 -12.307 1.00 0.16 N ATOM 1394 CA TYR A 88 79.199 1.918 -13.466 1.00 0.19 C ATOM 1395 C TYR A 88 78.117 1.310 -14.364 1.00 0.21 C ATOM 1396 O TYR A 88 77.138 0.765 -13.885 1.00 0.17 O ATOM 1397 CB TYR A 88 80.066 0.824 -12.845 1.00 0.21 C ATOM 1398 CG TYR A 88 81.191 1.460 -12.064 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.408 1.825 -12.730 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.042 1.702 -10.657 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.478 2.432 -11.989 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.112 2.309 -9.917 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.329 2.673 -10.583 1.00 0.65 C ATOM 1404 OH TYR A 88 84.358 3.256 -9.871 1.00 0.80 O ATOM 0 H TYR A 88 77.823 2.100 -11.843 1.00 0.16 H new ATOM 0 HA TYR A 88 79.786 2.592 -14.090 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.463 0.195 -12.190 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.469 0.178 -13.625 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.520 1.643 -13.789 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.126 1.428 -10.155 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.394 2.707 -12.490 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.001 2.492 -8.858 1.00 0.70 H new ATOM 0 HH TYR A 88 84.071 3.408 -8.946 1.00 0.80 H new ATOM 1414 N LYS A 89 78.294 1.394 -15.659 1.00 0.29 N ATOM 1415 CA LYS A 89 77.286 0.818 -16.601 1.00 0.33 C ATOM 1416 C LYS A 89 77.818 -0.489 -17.215 1.00 0.52 C ATOM 1417 O LYS A 89 78.998 -0.597 -17.483 1.00 0.94 O ATOM 1418 CB LYS A 89 77.104 1.884 -17.683 1.00 0.48 C ATOM 1419 CG LYS A 89 75.635 1.938 -18.107 1.00 1.38 C ATOM 1420 CD LYS A 89 75.366 3.247 -18.850 1.00 1.82 C ATOM 1421 CE LYS A 89 73.880 3.336 -19.208 1.00 2.32 C ATOM 1422 NZ LYS A 89 73.690 2.346 -20.304 1.00 2.99 N ATOM 0 H LYS A 89 79.096 1.838 -16.106 1.00 0.29 H new ATOM 0 HA LYS A 89 76.347 0.575 -16.104 1.00 0.33 H new ATOM 0 HB2 LYS A 89 77.420 2.857 -17.306 1.00 0.48 H new ATOM 0 HB3 LYS A 89 77.733 1.655 -18.543 1.00 0.48 H new ATOM 0 HG2 LYS A 89 75.399 1.089 -18.748 1.00 1.38 H new ATOM 0 HG3 LYS A 89 74.990 1.865 -17.231 1.00 1.38 H new ATOM 0 HD2 LYS A 89 75.653 4.095 -18.229 1.00 1.82 H new ATOM 0 HD3 LYS A 89 75.972 3.295 -19.755 1.00 1.82 H new ATOM 0 HE2 LYS A 89 73.252 3.100 -18.349 1.00 2.32 H new ATOM 0 HE3 LYS A 89 73.611 4.341 -19.533 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 72.839 2.591 -20.849 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 74.519 2.359 -20.932 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 73.579 1.395 -19.898 1.00 2.99 H new ATOM 1436 N PRO A 90 76.932 -1.446 -17.444 1.00 0.71 N ATOM 1437 CA PRO A 90 77.351 -2.743 -18.062 1.00 0.93 C ATOM 1438 C PRO A 90 78.070 -2.509 -19.397 1.00 0.85 C ATOM 1439 O PRO A 90 77.723 -1.615 -20.147 1.00 1.30 O ATOM 1440 CB PRO A 90 76.020 -3.460 -18.284 1.00 1.39 C ATOM 1441 CG PRO A 90 75.137 -2.898 -17.224 1.00 1.68 C ATOM 1442 CD PRO A 90 75.480 -1.440 -17.161 1.00 1.19 C ATOM 0 HA PRO A 90 78.050 -3.307 -17.445 1.00 0.93 H new ATOM 0 HB2 PRO A 90 75.622 -3.267 -19.280 1.00 1.39 H new ATOM 0 HB3 PRO A 90 76.126 -4.540 -18.186 1.00 1.39 H new ATOM 0 HG2 PRO A 90 74.085 -3.045 -17.469 1.00 1.68 H new ATOM 0 HG3 PRO A 90 75.313 -3.386 -16.265 1.00 1.68 H new ATOM 0 HD2 PRO A 90 74.924 -0.859 -17.897 1.00 1.19 H new ATOM 0 HD3 PRO A 90 75.258 -1.012 -16.184 1.00 1.19 H new ATOM 1450 N ARG A 91 79.061 -3.313 -19.695 1.00 1.61 N ATOM 1451 CA ARG A 91 79.805 -3.156 -20.981 1.00 1.99 C ATOM 1452 C ARG A 91 80.038 -4.524 -21.635 1.00 2.65 C ATOM 1453 O ARG A 91 80.006 -5.548 -20.980 1.00 3.38 O ATOM 1454 CB ARG A 91 81.134 -2.492 -20.595 1.00 3.06 C ATOM 1455 CG ARG A 91 81.907 -3.383 -19.615 1.00 3.64 C ATOM 1456 CD ARG A 91 83.105 -2.610 -19.058 1.00 4.74 C ATOM 1457 NE ARG A 91 83.852 -3.603 -18.224 1.00 5.48 N ATOM 1458 CZ ARG A 91 84.647 -4.510 -18.766 1.00 6.33 C ATOM 1459 NH1 ARG A 91 84.827 -4.592 -20.066 1.00 6.87 N ATOM 1460 NH2 ARG A 91 85.272 -5.350 -17.986 1.00 6.83 N ATOM 0 H ARG A 91 79.387 -4.074 -19.099 1.00 1.61 H new ATOM 0 HA ARG A 91 79.255 -2.558 -21.708 1.00 1.99 H new ATOM 0 HB2 ARG A 91 81.734 -2.316 -21.488 1.00 3.06 H new ATOM 0 HB3 ARG A 91 80.944 -1.519 -20.141 1.00 3.06 H new ATOM 0 HG2 ARG A 91 81.254 -3.698 -18.801 1.00 3.64 H new ATOM 0 HG3 ARG A 91 82.247 -4.287 -20.120 1.00 3.64 H new ATOM 0 HD2 ARG A 91 83.730 -2.219 -19.861 1.00 4.74 H new ATOM 0 HD3 ARG A 91 82.782 -1.757 -18.461 1.00 4.74 H new ATOM 0 HE ARG A 91 83.745 -3.580 -17.210 1.00 5.48 H new ATOM 0 HH11 ARG A 91 84.346 -3.944 -20.689 1.00 6.87 H new ATOM 0 HH12 ARG A 91 85.448 -5.304 -20.451 1.00 6.87 H new ATOM 0 HH21 ARG A 91 85.143 -5.300 -16.975 1.00 6.83 H new ATOM 0 HH22 ARG A 91 85.889 -6.056 -18.387 1.00 6.83 H new ATOM 1474 N ASN A 92 80.270 -4.545 -22.929 1.00 3.10 N ATOM 1475 CA ASN A 92 80.506 -5.841 -23.655 1.00 4.24 C ATOM 1476 C ASN A 92 79.372 -6.838 -23.381 1.00 4.85 C ATOM 1477 O ASN A 92 79.452 -7.538 -22.385 1.00 5.20 O ATOM 1478 CB ASN A 92 81.837 -6.379 -23.116 1.00 4.82 C ATOM 1479 CG ASN A 92 82.969 -5.413 -23.478 1.00 5.68 C ATOM 1480 OD1 ASN A 92 82.848 -4.632 -24.401 1.00 5.95 O ATOM 1481 ND2 ASN A 92 84.073 -5.433 -22.782 1.00 6.47 N ATOM 1482 OXT ASN A 92 78.445 -6.884 -24.174 1.00 5.35 O ATOM 0 H ASN A 92 80.306 -3.714 -23.519 1.00 3.10 H new ATOM 0 HA ASN A 92 80.536 -5.693 -24.734 1.00 4.24 H new ATOM 0 HB2 ASN A 92 81.780 -6.499 -22.034 1.00 4.82 H new ATOM 0 HB3 ASN A 92 82.039 -7.364 -23.536 1.00 4.82 H new ATOM 0 HD21 ASN A 92 84.833 -4.793 -23.013 1.00 6.47 H new ATOM 0 HD22 ASN A 92 84.176 -6.088 -22.007 1.00 6.47 H new TER 1489 ASN A 92