USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 369 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 720 THR OG1 : rot -31:sc= 0.022 USER MOD Single : A 722 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=-0.0085) USER MOD Single : A 725 LYS NZ :NH3+ -156:sc= 0.581 (180deg=0.437) USER MOD Single : A 729 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0916) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -23:sc= 0.0859 USER MOD Single : A 743 ASN :FLIP amide:sc= -1.54 F(o=-2.2!,f=-1.5) USER MOD Single : A 744 ASN : amide:sc= 1 K(o=1,f=-0.87) USER MOD Single : A 748 LYS NZ :NH3+ 168:sc= 0.108 (180deg=-0.22) USER MOD Single : A 751 THR OG1 : rot 180:sc= -2.49! USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0.00133 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 759 TYR OH : rot 180:sc= 0 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 717 4.050 -4.497 0.715 1.00 24.35 N ATOM 24 CA LEU A 717 4.691 -5.760 0.368 1.00 24.21 C ATOM 25 C LEU A 717 4.235 -6.267 -0.987 1.00 52.11 C ATOM 26 O LEU A 717 5.028 -6.792 -1.752 1.00 43.15 O ATOM 27 CB LEU A 717 4.411 -6.814 1.423 1.00 3.12 C ATOM 28 CG LEU A 717 5.060 -8.168 1.180 1.00 14.43 C ATOM 29 CD1 LEU A 717 6.546 -8.116 1.483 1.00 12.35 C ATOM 30 CD2 LEU A 717 4.370 -9.259 1.979 1.00 63.03 C ATOM 0 HA LEU A 717 5.764 -5.571 0.322 1.00 24.21 H new ATOM 0 HB2 LEU A 717 4.748 -6.436 2.388 1.00 3.12 H new ATOM 0 HB3 LEU A 717 3.332 -6.955 1.495 1.00 3.12 H new ATOM 0 HG LEU A 717 4.943 -8.413 0.124 1.00 14.43 H new ATOM 0 HD11 LEU A 717 6.989 -9.095 1.302 1.00 12.35 H new ATOM 0 HD12 LEU A 717 7.023 -7.377 0.839 1.00 12.35 H new ATOM 0 HD13 LEU A 717 6.695 -7.838 2.526 1.00 12.35 H new ATOM 0 HD21 LEU A 717 4.856 -10.215 1.785 1.00 63.03 H new ATOM 0 HD22 LEU A 717 4.436 -9.028 3.042 1.00 63.03 H new ATOM 0 HD23 LEU A 717 3.322 -9.318 1.685 1.00 63.03 H new ATOM 42 N LEU A 718 2.961 -6.087 -1.284 1.00 62.42 N ATOM 43 CA LEU A 718 2.386 -6.552 -2.553 1.00 73.44 C ATOM 44 C LEU A 718 3.087 -5.905 -3.736 1.00 34.03 C ATOM 45 O LEU A 718 3.141 -6.468 -4.828 1.00 22.01 O ATOM 46 CB LEU A 718 0.896 -6.237 -2.605 1.00 22.34 C ATOM 47 CG LEU A 718 0.034 -6.896 -1.535 1.00 44.12 C ATOM 48 CD1 LEU A 718 -1.386 -6.381 -1.615 1.00 42.44 C ATOM 49 CD2 LEU A 718 0.065 -8.408 -1.688 1.00 72.40 C ATOM 0 H LEU A 718 2.295 -5.621 -0.668 1.00 62.42 H new ATOM 0 HA LEU A 718 2.528 -7.631 -2.611 1.00 73.44 H new ATOM 0 HB2 LEU A 718 0.771 -5.157 -2.529 1.00 22.34 H new ATOM 0 HB3 LEU A 718 0.516 -6.534 -3.583 1.00 22.34 H new ATOM 0 HG LEU A 718 0.438 -6.642 -0.555 1.00 44.12 H new ATOM 0 HD11 LEU A 718 -1.991 -6.860 -0.845 1.00 42.44 H new ATOM 0 HD12 LEU A 718 -1.391 -5.302 -1.461 1.00 42.44 H new ATOM 0 HD13 LEU A 718 -1.801 -6.609 -2.597 1.00 42.44 H new ATOM 0 HD21 LEU A 718 -0.555 -8.865 -0.917 1.00 72.40 H new ATOM 0 HD22 LEU A 718 -0.318 -8.682 -2.671 1.00 72.40 H new ATOM 0 HD23 LEU A 718 1.091 -8.763 -1.586 1.00 72.40 H new ATOM 61 N ILE A 719 3.627 -4.740 -3.509 1.00 73.44 N ATOM 62 CA ILE A 719 4.274 -3.991 -4.534 1.00 21.33 C ATOM 63 C ILE A 719 5.808 -4.126 -4.430 1.00 43.42 C ATOM 64 O ILE A 719 6.527 -4.036 -5.446 1.00 30.34 O ATOM 65 CB ILE A 719 3.873 -2.491 -4.442 1.00 44.54 C ATOM 66 CG1 ILE A 719 2.332 -2.347 -4.471 1.00 40.35 C ATOM 67 CG2 ILE A 719 4.512 -1.677 -5.571 1.00 11.24 C ATOM 68 CD1 ILE A 719 1.681 -2.890 -5.732 1.00 72.25 C ATOM 0 H ILE A 719 3.627 -4.285 -2.596 1.00 73.44 H new ATOM 0 HA ILE A 719 3.953 -4.391 -5.496 1.00 21.33 H new ATOM 0 HB ILE A 719 4.245 -2.097 -3.496 1.00 44.54 H new ATOM 0 HG12 ILE A 719 1.913 -2.864 -3.608 1.00 40.35 H new ATOM 0 HG13 ILE A 719 2.074 -1.293 -4.367 1.00 40.35 H new ATOM 0 HG21 ILE A 719 4.214 -0.633 -5.480 1.00 11.24 H new ATOM 0 HG22 ILE A 719 5.597 -1.751 -5.504 1.00 11.24 H new ATOM 0 HG23 ILE A 719 4.180 -2.067 -6.533 1.00 11.24 H new ATOM 0 HD11 ILE A 719 0.602 -2.751 -5.673 1.00 72.25 H new ATOM 0 HD12 ILE A 719 2.069 -2.357 -6.600 1.00 72.25 H new ATOM 0 HD13 ILE A 719 1.905 -3.952 -5.829 1.00 72.25 H new ATOM 80 N THR A 720 6.313 -4.369 -3.201 1.00 31.31 N ATOM 81 CA THR A 720 7.741 -4.424 -2.982 1.00 20.43 C ATOM 82 C THR A 720 8.362 -5.658 -3.629 1.00 31.11 C ATOM 83 O THR A 720 9.521 -5.690 -3.857 1.00 44.52 O ATOM 84 CB THR A 720 8.111 -4.370 -1.468 1.00 53.12 C ATOM 85 OG1 THR A 720 9.496 -4.011 -1.310 1.00 31.15 O ATOM 86 CG2 THR A 720 7.879 -5.710 -0.807 1.00 45.03 C ATOM 0 H THR A 720 5.747 -4.526 -2.367 1.00 31.31 H new ATOM 0 HA THR A 720 8.155 -3.536 -3.459 1.00 20.43 H new ATOM 0 HB THR A 720 7.474 -3.622 -0.996 1.00 53.12 H new ATOM 0 HG1 THR A 720 10.010 -4.346 -2.074 1.00 31.15 H new ATOM 0 HG21 THR A 720 8.145 -5.646 0.248 1.00 45.03 H new ATOM 0 HG22 THR A 720 6.828 -5.985 -0.901 1.00 45.03 H new ATOM 0 HG23 THR A 720 8.497 -6.466 -1.291 1.00 45.03 H new ATOM 94 N ILE A 721 7.543 -6.659 -3.922 1.00 54.22 N ATOM 95 CA ILE A 721 8.015 -7.880 -4.545 1.00 63.12 C ATOM 96 C ILE A 721 8.700 -7.571 -5.867 1.00 43.41 C ATOM 97 O ILE A 721 9.777 -8.087 -6.157 1.00 63.13 O ATOM 98 CB ILE A 721 6.852 -8.848 -4.808 1.00 31.22 C ATOM 99 CG1 ILE A 721 6.074 -9.109 -3.523 1.00 32.11 C ATOM 100 CG2 ILE A 721 7.372 -10.166 -5.397 1.00 53.42 C ATOM 101 CD1 ILE A 721 4.821 -9.922 -3.724 1.00 12.13 C ATOM 0 H ILE A 721 6.540 -6.645 -3.735 1.00 54.22 H new ATOM 0 HA ILE A 721 8.724 -8.345 -3.860 1.00 63.12 H new ATOM 0 HB ILE A 721 6.179 -8.389 -5.532 1.00 31.22 H new ATOM 0 HG12 ILE A 721 6.722 -9.627 -2.816 1.00 32.11 H new ATOM 0 HG13 ILE A 721 5.807 -8.154 -3.071 1.00 32.11 H new ATOM 0 HG21 ILE A 721 6.534 -10.840 -5.577 1.00 53.42 H new ATOM 0 HG22 ILE A 721 7.886 -9.967 -6.337 1.00 53.42 H new ATOM 0 HG23 ILE A 721 8.066 -10.629 -4.696 1.00 53.42 H new ATOM 0 HD11 ILE A 721 4.323 -10.066 -2.765 1.00 12.13 H new ATOM 0 HD12 ILE A 721 4.152 -9.397 -4.406 1.00 12.13 H new ATOM 0 HD13 ILE A 721 5.081 -10.892 -4.147 1.00 12.13 H new ATOM 113 N HIS A 722 8.088 -6.715 -6.647 1.00 62.33 N ATOM 114 CA HIS A 722 8.619 -6.368 -7.932 1.00 10.43 C ATOM 115 C HIS A 722 9.923 -5.592 -7.784 1.00 2.04 C ATOM 116 O HIS A 722 10.867 -5.786 -8.549 1.00 13.14 O ATOM 117 CB HIS A 722 7.611 -5.568 -8.727 1.00 1.23 C ATOM 118 CG HIS A 722 7.769 -5.736 -10.196 1.00 51.24 C ATOM 119 ND1 HIS A 722 7.943 -4.692 -11.068 1.00 42.11 N ATOM 120 CD2 HIS A 722 7.772 -6.844 -10.939 1.00 54.32 C ATOM 121 CE1 HIS A 722 8.047 -5.157 -12.291 1.00 44.11 C ATOM 122 NE2 HIS A 722 7.948 -6.461 -12.245 1.00 42.45 N ATOM 0 H HIS A 722 7.215 -6.245 -6.408 1.00 62.33 H new ATOM 0 HA HIS A 722 8.829 -7.290 -8.474 1.00 10.43 H new ATOM 0 HB2 HIS A 722 6.605 -5.871 -8.438 1.00 1.23 H new ATOM 0 HB3 HIS A 722 7.711 -4.513 -8.474 1.00 1.23 H new ATOM 0 HD2 HIS A 722 7.657 -7.856 -10.579 1.00 54.32 H new ATOM 0 HE1 HIS A 722 8.190 -4.565 -13.183 1.00 44.11 H new ATOM 0 HE2 HIS A 722 7.994 -7.089 -13.047 1.00 42.45 H new ATOM 131 N ASP A 723 9.979 -4.743 -6.786 1.00 23.35 N ATOM 132 CA ASP A 723 11.190 -3.960 -6.518 1.00 64.14 C ATOM 133 C ASP A 723 12.196 -4.770 -5.732 1.00 74.24 C ATOM 134 O ASP A 723 13.336 -4.411 -5.629 1.00 11.42 O ATOM 135 CB ASP A 723 10.865 -2.662 -5.786 1.00 13.13 C ATOM 136 CG ASP A 723 10.196 -1.646 -6.670 1.00 0.44 C ATOM 137 OD1 ASP A 723 10.904 -0.991 -7.483 1.00 30.21 O ATOM 138 OD2 ASP A 723 8.964 -1.475 -6.564 1.00 75.41 O ATOM 0 H ASP A 723 9.209 -4.568 -6.140 1.00 23.35 H new ATOM 0 HA ASP A 723 11.630 -3.702 -7.481 1.00 64.14 H new ATOM 0 HB2 ASP A 723 10.217 -2.881 -4.937 1.00 13.13 H new ATOM 0 HB3 ASP A 723 11.785 -2.237 -5.383 1.00 13.13 H new ATOM 143 N ARG A 724 11.750 -5.846 -5.187 1.00 32.24 N ATOM 144 CA ARG A 724 12.588 -6.758 -4.472 1.00 54.40 C ATOM 145 C ARG A 724 13.556 -7.449 -5.421 1.00 52.35 C ATOM 146 O ARG A 724 14.733 -7.589 -5.131 1.00 11.44 O ATOM 147 CB ARG A 724 11.722 -7.770 -3.754 1.00 1.22 C ATOM 148 CG ARG A 724 12.457 -8.842 -3.035 1.00 1.24 C ATOM 149 CD ARG A 724 11.486 -9.800 -2.414 1.00 70.35 C ATOM 150 NE ARG A 724 10.824 -9.251 -1.231 1.00 23.25 N ATOM 151 CZ ARG A 724 10.107 -9.985 -0.372 1.00 23.14 C ATOM 152 NH1 ARG A 724 9.963 -11.295 -0.574 1.00 31.22 N ATOM 153 NH2 ARG A 724 9.546 -9.416 0.689 1.00 62.32 N ATOM 0 H ARG A 724 10.771 -6.128 -5.224 1.00 32.24 H new ATOM 0 HA ARG A 724 13.178 -6.209 -3.738 1.00 54.40 H new ATOM 0 HB2 ARG A 724 11.093 -7.241 -3.038 1.00 1.22 H new ATOM 0 HB3 ARG A 724 11.056 -8.234 -4.482 1.00 1.22 H new ATOM 0 HG2 ARG A 724 13.112 -9.372 -3.726 1.00 1.24 H new ATOM 0 HG3 ARG A 724 13.093 -8.405 -2.265 1.00 1.24 H new ATOM 0 HD2 ARG A 724 10.732 -10.075 -3.152 1.00 70.35 H new ATOM 0 HD3 ARG A 724 12.011 -10.715 -2.139 1.00 70.35 H new ATOM 0 HE ARG A 724 10.914 -8.251 -1.050 1.00 23.25 H new ATOM 0 HH11 ARG A 724 10.399 -11.737 -1.383 1.00 31.22 H new ATOM 0 HH12 ARG A 724 9.417 -11.855 0.080 1.00 31.22 H new ATOM 0 HH21 ARG A 724 9.661 -8.416 0.852 1.00 62.32 H new ATOM 0 HH22 ARG A 724 9.000 -9.979 1.341 1.00 62.32 H new ATOM 167 N LYS A 725 13.065 -7.868 -6.544 1.00 24.31 N ATOM 168 CA LYS A 725 13.918 -8.474 -7.533 1.00 2.00 C ATOM 169 C LYS A 725 14.701 -7.421 -8.308 1.00 32.21 C ATOM 170 O LYS A 725 15.837 -7.654 -8.706 1.00 52.32 O ATOM 171 CB LYS A 725 13.129 -9.399 -8.478 1.00 11.03 C ATOM 172 CG LYS A 725 13.078 -10.878 -8.023 1.00 55.40 C ATOM 173 CD LYS A 725 12.426 -11.041 -6.645 1.00 44.23 C ATOM 174 CE LYS A 725 10.928 -10.772 -6.690 1.00 2.35 C ATOM 175 NZ LYS A 725 10.190 -11.802 -7.457 1.00 2.45 N ATOM 0 H LYS A 725 12.081 -7.805 -6.805 1.00 24.31 H new ATOM 0 HA LYS A 725 14.638 -9.097 -7.003 1.00 2.00 H new ATOM 0 HB2 LYS A 725 12.110 -9.023 -8.569 1.00 11.03 H new ATOM 0 HB3 LYS A 725 13.576 -9.351 -9.471 1.00 11.03 H new ATOM 0 HG2 LYS A 725 12.523 -11.462 -8.757 1.00 55.40 H new ATOM 0 HG3 LYS A 725 14.090 -11.282 -7.994 1.00 55.40 H new ATOM 0 HD2 LYS A 725 12.602 -12.052 -6.277 1.00 44.23 H new ATOM 0 HD3 LYS A 725 12.896 -10.358 -5.938 1.00 44.23 H new ATOM 0 HE2 LYS A 725 10.538 -10.732 -5.673 1.00 2.35 H new ATOM 0 HE3 LYS A 725 10.751 -9.794 -7.137 1.00 2.35 H new ATOM 0 HZ1 LYS A 725 9.297 -11.401 -7.807 1.00 2.45 H new ATOM 0 HZ2 LYS A 725 10.768 -12.115 -8.263 1.00 2.45 H new ATOM 0 HZ3 LYS A 725 9.987 -12.615 -6.841 1.00 2.45 H new ATOM 189 N GLU A 726 14.092 -6.272 -8.525 1.00 61.30 N ATOM 190 CA GLU A 726 14.759 -5.192 -9.231 1.00 41.34 C ATOM 191 C GLU A 726 15.792 -4.478 -8.320 1.00 23.42 C ATOM 192 O GLU A 726 17.000 -4.543 -8.560 1.00 60.51 O ATOM 193 CB GLU A 726 13.721 -4.179 -9.719 1.00 14.11 C ATOM 194 CG GLU A 726 14.286 -3.063 -10.580 1.00 1.23 C ATOM 195 CD GLU A 726 14.763 -3.551 -11.915 1.00 63.42 C ATOM 196 OE1 GLU A 726 13.906 -3.831 -12.785 1.00 5.42 O ATOM 197 OE2 GLU A 726 15.983 -3.659 -12.114 1.00 54.30 O ATOM 0 H GLU A 726 13.140 -6.061 -8.225 1.00 61.30 H new ATOM 0 HA GLU A 726 15.291 -5.619 -10.081 1.00 41.34 H new ATOM 0 HB2 GLU A 726 12.956 -4.707 -10.288 1.00 14.11 H new ATOM 0 HB3 GLU A 726 13.227 -3.738 -8.853 1.00 14.11 H new ATOM 0 HG2 GLU A 726 13.521 -2.300 -10.728 1.00 1.23 H new ATOM 0 HG3 GLU A 726 15.114 -2.587 -10.054 1.00 1.23 H new ATOM 204 N PHE A 727 15.296 -3.821 -7.287 1.00 21.14 N ATOM 205 CA PHE A 727 16.123 -3.039 -6.379 1.00 32.22 C ATOM 206 C PHE A 727 16.775 -3.874 -5.302 1.00 12.11 C ATOM 207 O PHE A 727 17.971 -3.885 -5.181 1.00 31.25 O ATOM 208 CB PHE A 727 15.330 -1.895 -5.747 1.00 63.34 C ATOM 209 CG PHE A 727 16.117 -1.120 -4.710 1.00 73.43 C ATOM 210 CD1 PHE A 727 17.273 -0.440 -5.062 1.00 53.15 C ATOM 211 CD2 PHE A 727 15.697 -1.075 -3.393 1.00 53.44 C ATOM 212 CE1 PHE A 727 17.992 0.267 -4.121 1.00 34.23 C ATOM 213 CE2 PHE A 727 16.413 -0.369 -2.446 1.00 71.11 C ATOM 214 CZ PHE A 727 17.561 0.302 -2.809 1.00 61.20 C ATOM 0 H PHE A 727 14.304 -3.813 -7.051 1.00 21.14 H new ATOM 0 HA PHE A 727 16.922 -2.622 -6.992 1.00 32.22 H new ATOM 0 HB2 PHE A 727 15.004 -1.211 -6.531 1.00 63.34 H new ATOM 0 HB3 PHE A 727 14.430 -2.299 -5.283 1.00 63.34 H new ATOM 0 HD1 PHE A 727 17.615 -0.464 -6.086 1.00 53.15 H new ATOM 0 HD2 PHE A 727 14.798 -1.598 -3.102 1.00 53.44 H new ATOM 0 HE1 PHE A 727 18.890 0.792 -4.409 1.00 34.23 H new ATOM 0 HE2 PHE A 727 16.073 -0.343 -1.421 1.00 71.11 H new ATOM 0 HZ PHE A 727 18.122 0.854 -2.069 1.00 61.20 H new ATOM 224 N ALA A 728 15.951 -4.567 -4.502 1.00 14.32 N ATOM 225 CA ALA A 728 16.432 -5.278 -3.287 1.00 54.24 C ATOM 226 C ALA A 728 17.574 -6.190 -3.574 1.00 3.44 C ATOM 227 O ALA A 728 18.462 -6.318 -2.778 1.00 45.51 O ATOM 228 CB ALA A 728 15.325 -6.029 -2.620 1.00 62.21 C ATOM 0 H ALA A 728 14.948 -4.656 -4.666 1.00 14.32 H new ATOM 0 HA ALA A 728 16.792 -4.507 -2.605 1.00 54.24 H new ATOM 0 HB1 ALA A 728 15.711 -6.537 -1.736 1.00 62.21 H new ATOM 0 HB2 ALA A 728 14.540 -5.333 -2.325 1.00 62.21 H new ATOM 0 HB3 ALA A 728 14.916 -6.765 -3.312 1.00 62.21 H new ATOM 234 N LYS A 729 17.549 -6.818 -4.728 1.00 53.02 N ATOM 235 CA LYS A 729 18.620 -7.702 -5.150 1.00 2.12 C ATOM 236 C LYS A 729 19.992 -6.999 -5.067 1.00 30.31 C ATOM 237 O LYS A 729 21.020 -7.641 -4.848 1.00 11.15 O ATOM 238 CB LYS A 729 18.349 -8.213 -6.575 1.00 55.50 C ATOM 239 CG LYS A 729 19.452 -9.108 -7.157 1.00 33.41 C ATOM 240 CD LYS A 729 19.832 -10.234 -6.202 1.00 75.14 C ATOM 241 CE LYS A 729 18.653 -11.118 -5.881 1.00 12.25 C ATOM 242 NZ LYS A 729 18.155 -11.835 -7.079 1.00 2.14 N ATOM 0 H LYS A 729 16.788 -6.733 -5.402 1.00 53.02 H new ATOM 0 HA LYS A 729 18.650 -8.555 -4.472 1.00 2.12 H new ATOM 0 HB2 LYS A 729 17.411 -8.769 -6.575 1.00 55.50 H new ATOM 0 HB3 LYS A 729 18.211 -7.355 -7.234 1.00 55.50 H new ATOM 0 HG2 LYS A 729 19.114 -9.532 -8.103 1.00 33.41 H new ATOM 0 HG3 LYS A 729 20.333 -8.504 -7.375 1.00 33.41 H new ATOM 0 HD2 LYS A 729 20.626 -10.834 -6.646 1.00 75.14 H new ATOM 0 HD3 LYS A 729 20.230 -9.810 -5.280 1.00 75.14 H new ATOM 0 HE2 LYS A 729 18.940 -11.842 -5.118 1.00 12.25 H new ATOM 0 HE3 LYS A 729 17.850 -10.513 -5.461 1.00 12.25 H new ATOM 0 HZ1 LYS A 729 17.449 -12.542 -6.792 1.00 2.14 H new ATOM 0 HZ2 LYS A 729 17.718 -11.155 -7.734 1.00 2.14 H new ATOM 0 HZ3 LYS A 729 18.949 -12.311 -7.553 1.00 2.14 H new ATOM 256 N PHE A 730 19.984 -5.702 -5.217 1.00 32.33 N ATOM 257 CA PHE A 730 21.161 -4.923 -5.127 1.00 41.34 C ATOM 258 C PHE A 730 21.637 -4.837 -3.720 1.00 53.15 C ATOM 259 O PHE A 730 22.776 -5.203 -3.418 1.00 34.22 O ATOM 260 CB PHE A 730 20.901 -3.552 -5.653 1.00 63.44 C ATOM 261 CG PHE A 730 21.279 -3.370 -7.060 1.00 63.41 C ATOM 262 CD1 PHE A 730 20.642 -4.078 -8.048 1.00 3.02 C ATOM 263 CD2 PHE A 730 22.279 -2.496 -7.403 1.00 3.23 C ATOM 264 CE1 PHE A 730 20.995 -3.917 -9.374 1.00 65.02 C ATOM 265 CE2 PHE A 730 22.645 -2.323 -8.724 1.00 45.41 C ATOM 266 CZ PHE A 730 22.000 -3.037 -9.713 1.00 23.25 C ATOM 0 H PHE A 730 19.140 -5.161 -5.408 1.00 32.33 H new ATOM 0 HA PHE A 730 21.936 -5.404 -5.724 1.00 41.34 H new ATOM 0 HB2 PHE A 730 19.841 -3.326 -5.540 1.00 63.44 H new ATOM 0 HB3 PHE A 730 21.447 -2.831 -5.045 1.00 63.44 H new ATOM 0 HD1 PHE A 730 19.855 -4.770 -7.786 1.00 3.02 H new ATOM 0 HD2 PHE A 730 22.786 -1.936 -6.631 1.00 3.23 H new ATOM 0 HE1 PHE A 730 20.485 -4.479 -10.142 1.00 65.02 H new ATOM 0 HE2 PHE A 730 23.433 -1.631 -8.982 1.00 45.41 H new ATOM 0 HZ PHE A 730 22.281 -2.907 -10.748 1.00 23.25 H new ATOM 276 N GLU A 731 20.774 -4.362 -2.845 1.00 62.05 N ATOM 277 CA GLU A 731 21.128 -4.200 -1.464 1.00 71.50 C ATOM 278 C GLU A 731 21.391 -5.554 -0.808 1.00 4.21 C ATOM 279 O GLU A 731 22.208 -5.660 0.090 1.00 63.31 O ATOM 280 CB GLU A 731 20.041 -3.427 -0.693 1.00 21.31 C ATOM 281 CG GLU A 731 18.723 -4.175 -0.543 1.00 44.44 C ATOM 282 CD GLU A 731 17.818 -3.563 0.501 1.00 51.34 C ATOM 283 OE1 GLU A 731 18.209 -3.542 1.694 1.00 50.31 O ATOM 284 OE2 GLU A 731 16.714 -3.100 0.148 1.00 12.24 O ATOM 0 H GLU A 731 19.820 -4.083 -3.075 1.00 62.05 H new ATOM 0 HA GLU A 731 22.046 -3.614 -1.426 1.00 71.50 H new ATOM 0 HB2 GLU A 731 20.421 -3.183 0.299 1.00 21.31 H new ATOM 0 HB3 GLU A 731 19.853 -2.483 -1.204 1.00 21.31 H new ATOM 0 HG2 GLU A 731 18.206 -4.188 -1.503 1.00 44.44 H new ATOM 0 HG3 GLU A 731 18.927 -5.212 -0.277 1.00 44.44 H new ATOM 291 N GLU A 732 20.703 -6.597 -1.306 1.00 41.50 N ATOM 292 CA GLU A 732 20.803 -7.946 -0.739 1.00 40.11 C ATOM 293 C GLU A 732 22.202 -8.478 -0.793 1.00 30.13 C ATOM 294 O GLU A 732 22.584 -9.295 0.041 1.00 12.32 O ATOM 295 CB GLU A 732 19.849 -8.922 -1.423 1.00 13.32 C ATOM 296 CG GLU A 732 18.396 -8.768 -1.015 1.00 71.22 C ATOM 297 CD GLU A 732 17.532 -9.883 -1.542 1.00 31.12 C ATOM 298 OE1 GLU A 732 17.177 -9.858 -2.734 1.00 73.15 O ATOM 299 OE2 GLU A 732 17.214 -10.827 -0.760 1.00 3.01 O ATOM 0 H GLU A 732 20.070 -6.527 -2.103 1.00 41.50 H new ATOM 0 HA GLU A 732 20.513 -7.856 0.308 1.00 40.11 H new ATOM 0 HB2 GLU A 732 19.927 -8.791 -2.502 1.00 13.32 H new ATOM 0 HB3 GLU A 732 20.170 -9.940 -1.202 1.00 13.32 H new ATOM 0 HG2 GLU A 732 18.327 -8.741 0.073 1.00 71.22 H new ATOM 0 HG3 GLU A 732 18.017 -7.814 -1.382 1.00 71.22 H new ATOM 306 N GLU A 733 22.966 -8.043 -1.778 1.00 60.54 N ATOM 307 CA GLU A 733 24.354 -8.452 -1.892 1.00 33.42 C ATOM 308 C GLU A 733 25.132 -8.144 -0.610 1.00 41.20 C ATOM 309 O GLU A 733 25.732 -9.036 -0.016 1.00 4.42 O ATOM 310 CB GLU A 733 25.018 -7.778 -3.081 1.00 63.40 C ATOM 311 CG GLU A 733 24.484 -8.232 -4.412 1.00 20.44 C ATOM 312 CD GLU A 733 25.184 -7.574 -5.573 1.00 53.45 C ATOM 313 OE1 GLU A 733 26.337 -7.965 -5.883 1.00 21.23 O ATOM 314 OE2 GLU A 733 24.590 -6.667 -6.195 1.00 74.10 O ATOM 0 H GLU A 733 22.649 -7.407 -2.510 1.00 60.54 H new ATOM 0 HA GLU A 733 24.367 -9.531 -2.047 1.00 33.42 H new ATOM 0 HB2 GLU A 733 24.886 -6.699 -2.996 1.00 63.40 H new ATOM 0 HB3 GLU A 733 26.090 -7.972 -3.045 1.00 63.40 H new ATOM 0 HG2 GLU A 733 24.593 -9.314 -4.493 1.00 20.44 H new ATOM 0 HG3 GLU A 733 23.417 -8.014 -4.465 1.00 20.44 H new ATOM 321 N ARG A 734 25.107 -6.891 -0.188 1.00 45.33 N ATOM 322 CA ARG A 734 25.778 -6.489 1.039 1.00 31.12 C ATOM 323 C ARG A 734 24.938 -6.780 2.273 1.00 74.44 C ATOM 324 O ARG A 734 25.472 -7.035 3.349 1.00 32.31 O ATOM 325 CB ARG A 734 26.215 -5.029 0.986 1.00 3.03 C ATOM 326 CG ARG A 734 27.350 -4.779 0.003 1.00 62.41 C ATOM 327 CD ARG A 734 28.570 -5.614 0.368 1.00 14.41 C ATOM 328 NE ARG A 734 29.612 -5.571 -0.661 1.00 14.11 N ATOM 329 CZ ARG A 734 30.880 -5.972 -0.470 1.00 72.21 C ATOM 330 NH1 ARG A 734 31.274 -6.396 0.734 1.00 31.01 N ATOM 331 NH2 ARG A 734 31.743 -5.937 -1.472 1.00 54.42 N ATOM 0 H ARG A 734 24.629 -6.134 -0.676 1.00 45.33 H new ATOM 0 HA ARG A 734 26.679 -7.096 1.122 1.00 31.12 H new ATOM 0 HB2 ARG A 734 25.361 -4.410 0.710 1.00 3.03 H new ATOM 0 HB3 ARG A 734 26.529 -4.714 1.981 1.00 3.03 H new ATOM 0 HG2 ARG A 734 27.024 -5.025 -1.008 1.00 62.41 H new ATOM 0 HG3 ARG A 734 27.613 -3.721 0.005 1.00 62.41 H new ATOM 0 HD2 ARG A 734 28.982 -5.256 1.312 1.00 14.41 H new ATOM 0 HD3 ARG A 734 28.264 -6.648 0.526 1.00 14.41 H new ATOM 0 HE ARG A 734 29.358 -5.213 -1.582 1.00 14.11 H new ATOM 0 HH11 ARG A 734 30.612 -6.416 1.510 1.00 31.01 H new ATOM 0 HH12 ARG A 734 32.237 -6.700 0.878 1.00 31.01 H new ATOM 0 HH21 ARG A 734 31.446 -5.606 -2.390 1.00 54.42 H new ATOM 0 HH22 ARG A 734 32.706 -6.241 -1.327 1.00 54.42 H new ATOM 345 N ALA A 735 23.629 -6.748 2.110 1.00 2.01 N ATOM 346 CA ALA A 735 22.709 -7.010 3.204 1.00 4.12 C ATOM 347 C ALA A 735 22.860 -8.424 3.715 1.00 64.41 C ATOM 348 O ALA A 735 23.092 -8.640 4.887 1.00 23.01 O ATOM 349 CB ALA A 735 21.276 -6.757 2.771 1.00 33.00 C ATOM 0 H ALA A 735 23.174 -6.541 1.221 1.00 2.01 H new ATOM 0 HA ALA A 735 22.954 -6.326 4.017 1.00 4.12 H new ATOM 0 HB1 ALA A 735 20.603 -6.959 3.604 1.00 33.00 H new ATOM 0 HB2 ALA A 735 21.168 -5.718 2.461 1.00 33.00 H new ATOM 0 HB3 ALA A 735 21.027 -7.413 1.937 1.00 33.00 H new ATOM 355 N ARG A 736 22.758 -9.388 2.823 1.00 22.01 N ATOM 356 CA ARG A 736 22.856 -10.784 3.206 1.00 43.43 C ATOM 357 C ARG A 736 24.318 -11.175 3.480 1.00 32.22 C ATOM 358 O ARG A 736 24.604 -12.245 3.993 1.00 62.43 O ATOM 359 CB ARG A 736 22.264 -11.666 2.128 1.00 21.45 C ATOM 360 CG ARG A 736 22.036 -13.076 2.565 1.00 30.21 C ATOM 361 CD ARG A 736 21.418 -13.891 1.481 1.00 3.34 C ATOM 362 NE ARG A 736 22.331 -14.117 0.367 1.00 12.43 N ATOM 363 CZ ARG A 736 23.208 -15.122 0.306 1.00 74.42 C ATOM 364 NH1 ARG A 736 23.398 -15.919 1.362 1.00 41.42 N ATOM 365 NH2 ARG A 736 23.915 -15.310 -0.788 1.00 24.41 N ATOM 0 H ARG A 736 22.607 -9.231 1.826 1.00 22.01 H new ATOM 0 HA ARG A 736 22.289 -10.928 4.126 1.00 43.43 H new ATOM 0 HB2 ARG A 736 21.316 -11.238 1.801 1.00 21.45 H new ATOM 0 HB3 ARG A 736 22.929 -11.665 1.264 1.00 21.45 H new ATOM 0 HG2 ARG A 736 22.984 -13.524 2.862 1.00 30.21 H new ATOM 0 HG3 ARG A 736 21.390 -13.086 3.443 1.00 30.21 H new ATOM 0 HD2 ARG A 736 21.101 -14.851 1.888 1.00 3.34 H new ATOM 0 HD3 ARG A 736 20.522 -13.387 1.117 1.00 3.34 H new ATOM 0 HE ARG A 736 22.298 -13.465 -0.417 1.00 12.43 H new ATOM 0 HH11 ARG A 736 22.871 -15.761 2.221 1.00 41.42 H new ATOM 0 HH12 ARG A 736 24.069 -16.685 1.309 1.00 41.42 H new ATOM 0 HH21 ARG A 736 23.793 -14.688 -1.587 1.00 24.41 H new ATOM 0 HH22 ARG A 736 24.585 -16.077 -0.836 1.00 24.41 H new ATOM 379 N ALA A 737 25.213 -10.296 3.142 1.00 11.35 N ATOM 380 CA ALA A 737 26.640 -10.502 3.386 1.00 34.00 C ATOM 381 C ALA A 737 26.978 -10.302 4.862 1.00 65.24 C ATOM 382 O ALA A 737 28.030 -10.735 5.336 1.00 14.14 O ATOM 383 CB ALA A 737 27.441 -9.534 2.554 1.00 21.11 C ATOM 0 H ALA A 737 24.991 -9.410 2.688 1.00 11.35 H new ATOM 0 HA ALA A 737 26.890 -11.526 3.109 1.00 34.00 H new ATOM 0 HB1 ALA A 737 28.504 -9.689 2.738 1.00 21.11 H new ATOM 0 HB2 ALA A 737 27.227 -9.698 1.498 1.00 21.11 H new ATOM 0 HB3 ALA A 737 27.172 -8.513 2.824 1.00 21.11 H new ATOM 389 N LYS A 738 26.084 -9.654 5.570 1.00 42.21 N ATOM 390 CA LYS A 738 26.306 -9.279 6.958 1.00 1.33 C ATOM 391 C LYS A 738 25.117 -9.652 7.815 1.00 72.01 C ATOM 392 O LYS A 738 25.253 -9.935 9.006 1.00 33.12 O ATOM 393 CB LYS A 738 26.582 -7.765 7.047 1.00 41.23 C ATOM 394 CG LYS A 738 27.895 -7.337 6.393 1.00 74.13 C ATOM 395 CD LYS A 738 28.077 -5.824 6.414 1.00 72.23 C ATOM 396 CE LYS A 738 27.025 -5.118 5.563 1.00 14.22 C ATOM 397 NZ LYS A 738 27.307 -3.671 5.430 1.00 3.41 N ATOM 0 H LYS A 738 25.176 -9.368 5.204 1.00 42.21 H new ATOM 0 HA LYS A 738 27.172 -9.824 7.334 1.00 1.33 H new ATOM 0 HB2 LYS A 738 25.760 -7.227 6.575 1.00 41.23 H new ATOM 0 HB3 LYS A 738 26.596 -7.469 8.096 1.00 41.23 H new ATOM 0 HG2 LYS A 738 28.729 -7.810 6.912 1.00 74.13 H new ATOM 0 HG3 LYS A 738 27.919 -7.691 5.362 1.00 74.13 H new ATOM 0 HD2 LYS A 738 28.016 -5.464 7.441 1.00 72.23 H new ATOM 0 HD3 LYS A 738 29.072 -5.572 6.047 1.00 72.23 H new ATOM 0 HE2 LYS A 738 26.992 -5.574 4.574 1.00 14.22 H new ATOM 0 HE3 LYS A 738 26.041 -5.257 6.012 1.00 14.22 H new ATOM 0 HZ1 LYS A 738 26.571 -3.226 4.845 1.00 3.41 H new ATOM 0 HZ2 LYS A 738 27.314 -3.231 6.372 1.00 3.41 H new ATOM 0 HZ3 LYS A 738 28.235 -3.538 4.979 1.00 3.41 H new ATOM 411 N TRP A 739 23.953 -9.650 7.206 1.00 64.52 N ATOM 412 CA TRP A 739 22.713 -9.933 7.887 1.00 42.52 C ATOM 413 C TRP A 739 21.928 -10.919 7.093 1.00 64.42 C ATOM 414 O TRP A 739 20.732 -10.722 6.809 1.00 40.01 O ATOM 415 CB TRP A 739 21.927 -8.641 8.073 1.00 63.01 C ATOM 416 CG TRP A 739 22.719 -7.591 8.763 1.00 23.13 C ATOM 417 CD1 TRP A 739 23.714 -6.838 8.217 1.00 50.13 C ATOM 418 CD2 TRP A 739 22.601 -7.180 10.118 1.00 24.54 C ATOM 419 NE1 TRP A 739 24.248 -6.024 9.145 1.00 35.54 N ATOM 420 CE2 TRP A 739 23.570 -6.189 10.330 1.00 61.21 C ATOM 421 CE3 TRP A 739 21.768 -7.554 11.180 1.00 2.43 C ATOM 422 CZ2 TRP A 739 23.742 -5.564 11.561 1.00 14.33 C ATOM 423 CZ3 TRP A 739 21.935 -6.930 12.400 1.00 61.32 C ATOM 424 CH2 TRP A 739 22.913 -5.942 12.581 1.00 62.34 C ATOM 0 H TRP A 739 23.841 -9.449 6.212 1.00 64.52 H new ATOM 0 HA TRP A 739 22.917 -10.358 8.870 1.00 42.52 H new ATOM 0 HB2 TRP A 739 21.607 -8.270 7.099 1.00 63.01 H new ATOM 0 HB3 TRP A 739 21.024 -8.848 8.648 1.00 63.01 H new ATOM 0 HD1 TRP A 739 24.029 -6.888 7.185 1.00 50.13 H new ATOM 0 HE1 TRP A 739 25.030 -5.387 8.994 1.00 35.54 H new ATOM 0 HE3 TRP A 739 21.012 -8.314 11.047 1.00 2.43 H new ATOM 0 HZ2 TRP A 739 24.501 -4.809 11.706 1.00 14.33 H new ATOM 0 HZ3 TRP A 739 21.301 -7.208 13.229 1.00 61.32 H new ATOM 0 HH2 TRP A 739 23.014 -5.469 13.547 1.00 62.34 H new ATOM 435 N ASP A 740 22.603 -11.966 6.711 1.00 31.20 N ATOM 436 CA ASP A 740 22.012 -13.103 5.988 1.00 14.21 C ATOM 437 C ASP A 740 20.713 -13.564 6.624 1.00 65.23 C ATOM 438 O ASP A 740 19.709 -13.721 5.945 1.00 42.21 O ATOM 439 CB ASP A 740 23.020 -14.272 5.943 1.00 62.11 C ATOM 440 CG ASP A 740 22.452 -15.548 5.333 1.00 13.44 C ATOM 441 OD1 ASP A 740 21.830 -16.347 6.077 1.00 24.41 O ATOM 442 OD2 ASP A 740 22.649 -15.773 4.108 1.00 5.14 O ATOM 0 H ASP A 740 23.602 -12.074 6.888 1.00 31.20 H new ATOM 0 HA ASP A 740 21.784 -12.772 4.975 1.00 14.21 H new ATOM 0 HB2 ASP A 740 23.895 -13.964 5.370 1.00 62.11 H new ATOM 0 HB3 ASP A 740 23.361 -14.485 6.956 1.00 62.11 H new ATOM 447 N THR A 741 20.726 -13.750 7.918 1.00 22.14 N ATOM 448 CA THR A 741 19.559 -14.274 8.605 1.00 33.44 C ATOM 449 C THR A 741 18.516 -13.163 8.896 1.00 15.21 C ATOM 450 O THR A 741 17.358 -13.450 9.209 1.00 52.43 O ATOM 451 CB THR A 741 19.939 -15.025 9.920 1.00 21.03 C ATOM 452 OG1 THR A 741 18.776 -15.658 10.491 1.00 22.44 O ATOM 453 CG2 THR A 741 20.534 -14.076 10.929 1.00 60.34 C ATOM 0 H THR A 741 21.524 -13.550 8.521 1.00 22.14 H new ATOM 0 HA THR A 741 19.104 -14.998 7.929 1.00 33.44 H new ATOM 0 HB THR A 741 20.680 -15.784 9.668 1.00 21.03 H new ATOM 0 HG1 THR A 741 17.968 -15.201 10.178 1.00 22.44 H new ATOM 0 HG21 THR A 741 20.790 -14.623 11.836 1.00 60.34 H new ATOM 0 HG22 THR A 741 21.433 -13.620 10.514 1.00 60.34 H new ATOM 0 HG23 THR A 741 19.809 -13.297 11.168 1.00 60.34 H new ATOM 461 N ALA A 742 18.932 -11.918 8.779 1.00 50.50 N ATOM 462 CA ALA A 742 18.051 -10.803 9.059 1.00 42.21 C ATOM 463 C ALA A 742 17.244 -10.418 7.833 1.00 45.22 C ATOM 464 O ALA A 742 16.061 -10.111 7.930 1.00 25.13 O ATOM 465 CB ALA A 742 18.840 -9.613 9.575 1.00 30.22 C ATOM 0 H ALA A 742 19.874 -11.653 8.492 1.00 50.50 H new ATOM 0 HA ALA A 742 17.352 -11.117 9.834 1.00 42.21 H new ATOM 0 HB1 ALA A 742 18.160 -8.786 9.779 1.00 30.22 H new ATOM 0 HB2 ALA A 742 19.359 -9.891 10.492 1.00 30.22 H new ATOM 0 HB3 ALA A 742 19.569 -9.306 8.824 1.00 30.22 H new ATOM 471 N ASN A 743 17.879 -10.448 6.683 1.00 54.22 N ATOM 472 CA ASN A 743 17.215 -10.065 5.432 1.00 3.34 C ATOM 473 C ASN A 743 16.573 -11.233 4.781 1.00 33.01 C ATOM 474 O ASN A 743 15.570 -11.091 4.085 1.00 61.11 O ATOM 475 CB ASN A 743 18.203 -9.437 4.451 1.00 30.54 C ATOM 476 CG ASN A 743 18.749 -8.138 4.922 1.00 20.10 C ATOM 477 OD1 ASN A 743 19.835 -8.195 5.618 1.00 53.21 O flip ATOM 478 ND2 ASN A 743 18.190 -7.076 4.646 1.00 64.32 N flip ATOM 0 H ASN A 743 18.853 -10.731 6.576 1.00 54.22 H new ATOM 0 HA ASN A 743 16.450 -9.334 5.694 1.00 3.34 H new ATOM 0 HB2 ASN A 743 19.027 -10.130 4.281 1.00 30.54 H new ATOM 0 HB3 ASN A 743 17.708 -9.289 3.491 1.00 30.54 H new ATOM 0 HD21 ASN A 743 17.333 -7.079 4.093 1.00 64.32 H new ATOM 0 HD22 ASN A 743 18.584 -6.193 4.970 1.00 64.32 H new ATOM 485 N ASN A 744 17.139 -12.381 4.980 1.00 44.24 N ATOM 486 CA ASN A 744 16.692 -13.552 4.302 1.00 31.43 C ATOM 487 C ASN A 744 16.421 -14.687 5.292 1.00 54.55 C ATOM 488 O ASN A 744 17.105 -14.813 6.309 1.00 60.53 O ATOM 489 CB ASN A 744 17.733 -13.973 3.256 1.00 75.03 C ATOM 490 CG ASN A 744 17.999 -12.881 2.211 1.00 20.24 C ATOM 491 OD1 ASN A 744 18.904 -12.067 2.369 1.00 54.31 O ATOM 492 ND2 ASN A 744 17.203 -12.845 1.172 1.00 61.32 N ATOM 0 H ASN A 744 17.922 -12.531 5.616 1.00 44.24 H new ATOM 0 HA ASN A 744 15.754 -13.328 3.794 1.00 31.43 H new ATOM 0 HB2 ASN A 744 18.667 -14.223 3.759 1.00 75.03 H new ATOM 0 HB3 ASN A 744 17.390 -14.877 2.752 1.00 75.03 H new ATOM 0 HD21 ASN A 744 17.325 -12.124 0.461 1.00 61.32 H new ATOM 0 HD22 ASN A 744 16.461 -13.538 1.074 1.00 61.32 H new ATOM 499 N PRO A 745 15.408 -15.522 5.009 1.00 40.11 N ATOM 500 CA PRO A 745 14.996 -16.613 5.909 1.00 32.11 C ATOM 501 C PRO A 745 15.833 -17.892 5.724 1.00 70.23 C ATOM 502 O PRO A 745 15.742 -18.823 6.527 1.00 44.14 O ATOM 503 CB PRO A 745 13.565 -16.871 5.469 1.00 30.22 C ATOM 504 CG PRO A 745 13.576 -16.594 3.998 1.00 12.24 C ATOM 505 CD PRO A 745 14.552 -15.460 3.796 1.00 4.41 C ATOM 0 HA PRO A 745 15.118 -16.346 6.959 1.00 32.11 H new ATOM 0 HB2 PRO A 745 13.263 -17.897 5.678 1.00 30.22 H new ATOM 0 HB3 PRO A 745 12.864 -16.220 5.991 1.00 30.22 H new ATOM 0 HG2 PRO A 745 13.882 -17.477 3.437 1.00 12.24 H new ATOM 0 HG3 PRO A 745 12.582 -16.321 3.645 1.00 12.24 H new ATOM 0 HD2 PRO A 745 15.136 -15.590 2.885 1.00 4.41 H new ATOM 0 HD3 PRO A 745 14.042 -14.500 3.713 1.00 4.41 H new ATOM 513 N LEU A 746 16.629 -17.921 4.686 1.00 55.14 N ATOM 514 CA LEU A 746 17.400 -19.104 4.334 1.00 55.52 C ATOM 515 C LEU A 746 18.417 -18.751 3.303 1.00 71.21 C ATOM 516 O LEU A 746 19.590 -19.134 3.391 1.00 42.12 O ATOM 517 CB LEU A 746 16.454 -20.196 3.780 1.00 54.23 C ATOM 518 CG LEU A 746 17.106 -21.492 3.311 1.00 15.32 C ATOM 519 CD1 LEU A 746 17.788 -22.204 4.471 1.00 74.23 C ATOM 520 CD2 LEU A 746 16.075 -22.394 2.662 1.00 34.54 C ATOM 0 H LEU A 746 16.767 -17.130 4.056 1.00 55.14 H new ATOM 0 HA LEU A 746 17.905 -19.482 5.223 1.00 55.52 H new ATOM 0 HB2 LEU A 746 15.727 -20.441 4.554 1.00 54.23 H new ATOM 0 HB3 LEU A 746 15.898 -19.772 2.944 1.00 54.23 H new ATOM 0 HG LEU A 746 17.867 -21.246 2.571 1.00 15.32 H new ATOM 0 HD11 LEU A 746 18.246 -23.126 4.113 1.00 74.23 H new ATOM 0 HD12 LEU A 746 18.557 -21.557 4.894 1.00 74.23 H new ATOM 0 HD13 LEU A 746 17.050 -22.440 5.238 1.00 74.23 H new ATOM 0 HD21 LEU A 746 16.554 -23.316 2.332 1.00 34.54 H new ATOM 0 HD22 LEU A 746 15.293 -22.630 3.383 1.00 34.54 H new ATOM 0 HD23 LEU A 746 15.636 -21.886 1.804 1.00 34.54 H new ATOM 556 N LYS A 748 16.900 -17.025 0.094 1.00 3.34 N ATOM 557 CA LYS A 748 15.980 -16.234 -0.582 1.00 1.54 C ATOM 558 C LYS A 748 14.611 -16.598 -0.031 1.00 51.52 C ATOM 559 O LYS A 748 14.515 -17.505 0.809 1.00 43.11 O ATOM 560 CB LYS A 748 16.037 -16.570 -2.068 1.00 14.41 C ATOM 561 CG LYS A 748 17.397 -16.352 -2.755 1.00 51.13 C ATOM 562 CD LYS A 748 17.970 -14.968 -2.494 1.00 63.30 C ATOM 563 CE LYS A 748 17.131 -13.881 -3.100 1.00 73.22 C ATOM 564 NZ LYS A 748 17.715 -12.564 -2.854 1.00 64.24 N ATOM 0 HA LYS A 748 16.187 -15.172 -0.453 1.00 1.54 H new ATOM 0 HB2 LYS A 748 15.750 -17.614 -2.196 1.00 14.41 H new ATOM 0 HB3 LYS A 748 15.290 -15.969 -2.586 1.00 14.41 H new ATOM 0 HG2 LYS A 748 18.102 -17.105 -2.403 1.00 51.13 H new ATOM 0 HG3 LYS A 748 17.284 -16.498 -3.829 1.00 51.13 H new ATOM 0 HD2 LYS A 748 18.049 -14.807 -1.419 1.00 63.30 H new ATOM 0 HD3 LYS A 748 18.980 -14.913 -2.899 1.00 63.30 H new ATOM 0 HE2 LYS A 748 17.038 -14.046 -4.173 1.00 73.22 H new ATOM 0 HE3 LYS A 748 16.125 -13.919 -2.683 1.00 73.22 H new ATOM 0 HZ1 LYS A 748 17.237 -11.856 -3.447 1.00 64.24 H new ATOM 0 HZ2 LYS A 748 17.597 -12.313 -1.852 1.00 64.24 H new ATOM 0 HZ3 LYS A 748 18.728 -12.584 -3.088 1.00 64.24 H new ATOM 578 N GLU A 749 13.574 -15.944 -0.474 1.00 53.01 N ATOM 579 CA GLU A 749 12.248 -16.244 0.039 1.00 63.33 C ATOM 580 C GLU A 749 11.643 -17.447 -0.671 1.00 50.32 C ATOM 581 O GLU A 749 11.055 -18.332 -0.036 1.00 71.53 O ATOM 582 CB GLU A 749 11.318 -15.040 -0.072 1.00 21.54 C ATOM 583 CG GLU A 749 9.932 -15.298 0.494 1.00 43.41 C ATOM 584 CD GLU A 749 9.025 -14.115 0.381 1.00 1.31 C ATOM 585 OE1 GLU A 749 9.033 -13.268 1.291 1.00 42.15 O ATOM 586 OE2 GLU A 749 8.290 -14.018 -0.612 1.00 21.11 O ATOM 0 H GLU A 749 13.609 -15.208 -1.179 1.00 53.01 H new ATOM 0 HA GLU A 749 12.360 -16.487 1.096 1.00 63.33 H new ATOM 0 HB2 GLU A 749 11.765 -14.195 0.451 1.00 21.54 H new ATOM 0 HB3 GLU A 749 11.228 -14.755 -1.120 1.00 21.54 H new ATOM 0 HG2 GLU A 749 9.484 -16.143 -0.028 1.00 43.41 H new ATOM 0 HG3 GLU A 749 10.021 -15.582 1.543 1.00 43.41 H new ATOM 593 N ALA A 750 11.812 -17.500 -1.973 1.00 74.42 N ATOM 594 CA ALA A 750 11.225 -18.568 -2.769 1.00 5.45 C ATOM 595 C ALA A 750 11.959 -19.888 -2.564 1.00 35.14 C ATOM 596 O ALA A 750 11.506 -20.927 -3.010 1.00 3.51 O ATOM 597 CB ALA A 750 11.186 -18.192 -4.233 1.00 1.14 C ATOM 0 H ALA A 750 12.350 -16.819 -2.508 1.00 74.42 H new ATOM 0 HA ALA A 750 10.200 -18.707 -2.427 1.00 5.45 H new ATOM 0 HB1 ALA A 750 10.743 -19.007 -4.806 1.00 1.14 H new ATOM 0 HB2 ALA A 750 10.587 -17.290 -4.361 1.00 1.14 H new ATOM 0 HB3 ALA A 750 12.200 -18.008 -4.588 1.00 1.14 H new ATOM 603 N THR A 751 13.086 -19.834 -1.876 1.00 2.34 N ATOM 604 CA THR A 751 13.852 -21.021 -1.569 1.00 21.42 C ATOM 605 C THR A 751 13.074 -21.917 -0.583 1.00 53.44 C ATOM 606 O THR A 751 13.252 -23.133 -0.557 1.00 30.31 O ATOM 607 CB THR A 751 15.204 -20.642 -0.939 1.00 73.23 C ATOM 608 OG1 THR A 751 15.775 -19.563 -1.673 1.00 25.01 O ATOM 609 CG2 THR A 751 16.164 -21.821 -0.966 1.00 20.13 C ATOM 0 H THR A 751 13.491 -18.969 -1.518 1.00 2.34 H new ATOM 0 HA THR A 751 14.025 -21.562 -2.499 1.00 21.42 H new ATOM 0 HB THR A 751 15.035 -20.351 0.098 1.00 73.23 H new ATOM 0 HG1 THR A 751 16.636 -19.316 -1.275 1.00 25.01 H new ATOM 0 HG21 THR A 751 17.112 -21.528 -0.515 1.00 20.13 H new ATOM 0 HG22 THR A 751 15.736 -22.651 -0.404 1.00 20.13 H new ATOM 0 HG23 THR A 751 16.332 -22.129 -1.998 1.00 20.13 H new ATOM 617 N SER A 752 12.222 -21.303 0.207 1.00 2.14 N ATOM 618 CA SER A 752 11.453 -22.014 1.180 1.00 24.22 C ATOM 619 C SER A 752 10.167 -22.596 0.564 1.00 30.41 C ATOM 620 O SER A 752 9.865 -23.777 0.739 1.00 21.22 O ATOM 621 CB SER A 752 11.119 -21.094 2.349 1.00 50.15 C ATOM 622 OG SER A 752 12.310 -20.546 2.916 1.00 34.42 O ATOM 0 H SER A 752 12.049 -20.298 0.186 1.00 2.14 H new ATOM 0 HA SER A 752 12.050 -22.850 1.543 1.00 24.22 H new ATOM 0 HB2 SER A 752 10.468 -20.288 2.010 1.00 50.15 H new ATOM 0 HB3 SER A 752 10.570 -21.649 3.110 1.00 50.15 H new ATOM 0 HG SER A 752 12.076 -19.957 3.663 1.00 34.42 H new ATOM 628 N THR A 753 9.436 -21.771 -0.170 1.00 75.02 N ATOM 629 CA THR A 753 8.162 -22.186 -0.728 1.00 72.13 C ATOM 630 C THR A 753 8.337 -23.090 -1.989 1.00 15.54 C ATOM 631 O THR A 753 7.477 -23.924 -2.284 1.00 5.11 O ATOM 632 CB THR A 753 7.232 -20.954 -1.047 1.00 55.01 C ATOM 633 OG1 THR A 753 5.926 -21.404 -1.451 1.00 75.32 O ATOM 634 CG2 THR A 753 7.831 -20.077 -2.146 1.00 54.45 C ATOM 0 H THR A 753 9.704 -20.812 -0.392 1.00 75.02 H new ATOM 0 HA THR A 753 7.672 -22.785 0.039 1.00 72.13 H new ATOM 0 HB THR A 753 7.147 -20.360 -0.137 1.00 55.01 H new ATOM 0 HG1 THR A 753 5.358 -20.629 -1.645 1.00 75.32 H new ATOM 0 HG21 THR A 753 7.166 -19.236 -2.343 1.00 54.45 H new ATOM 0 HG22 THR A 753 8.803 -19.704 -1.824 1.00 54.45 H new ATOM 0 HG23 THR A 753 7.951 -20.665 -3.056 1.00 54.45 H new ATOM 642 N PHE A 754 9.443 -22.926 -2.707 1.00 11.44 N ATOM 643 CA PHE A 754 9.700 -23.743 -3.892 1.00 33.54 C ATOM 644 C PHE A 754 10.875 -24.655 -3.670 1.00 73.24 C ATOM 645 O PHE A 754 11.654 -24.468 -2.725 1.00 62.10 O ATOM 646 CB PHE A 754 9.946 -22.879 -5.125 1.00 15.13 C ATOM 647 CG PHE A 754 8.814 -21.981 -5.486 1.00 74.42 C ATOM 648 CD1 PHE A 754 7.518 -22.451 -5.500 1.00 43.23 C ATOM 649 CD2 PHE A 754 9.049 -20.665 -5.820 1.00 0.03 C ATOM 650 CE1 PHE A 754 6.472 -21.619 -5.836 1.00 10.13 C ATOM 651 CE2 PHE A 754 8.010 -19.825 -6.159 1.00 61.32 C ATOM 652 CZ PHE A 754 6.719 -20.302 -6.167 1.00 71.22 C ATOM 0 H PHE A 754 10.170 -22.243 -2.494 1.00 11.44 H new ATOM 0 HA PHE A 754 8.809 -24.346 -4.066 1.00 33.54 H new ATOM 0 HB2 PHE A 754 10.835 -22.272 -4.956 1.00 15.13 H new ATOM 0 HB3 PHE A 754 10.161 -23.530 -5.972 1.00 15.13 H new ATOM 0 HD1 PHE A 754 7.320 -23.482 -5.245 1.00 43.23 H new ATOM 0 HD2 PHE A 754 10.061 -20.287 -5.816 1.00 0.03 H new ATOM 0 HE1 PHE A 754 5.460 -21.997 -5.840 1.00 10.13 H new ATOM 0 HE2 PHE A 754 8.208 -18.795 -6.418 1.00 61.32 H new ATOM 0 HZ PHE A 754 5.902 -19.648 -6.432 1.00 71.22 H new ATOM 662 N THR A 755 11.013 -25.626 -4.517 1.00 32.31 N ATOM 663 CA THR A 755 12.069 -26.581 -4.404 1.00 13.50 C ATOM 664 C THR A 755 13.257 -26.215 -5.314 1.00 22.43 C ATOM 665 O THR A 755 14.430 -26.261 -4.880 1.00 23.21 O ATOM 666 CB THR A 755 11.564 -27.999 -4.733 1.00 63.41 C ATOM 667 OG1 THR A 755 10.895 -27.988 -6.003 1.00 41.11 O ATOM 668 CG2 THR A 755 10.592 -28.472 -3.663 1.00 61.22 C ATOM 0 H THR A 755 10.392 -25.779 -5.311 1.00 32.31 H new ATOM 0 HA THR A 755 12.415 -26.565 -3.371 1.00 13.50 H new ATOM 0 HB THR A 755 12.417 -28.676 -4.768 1.00 63.41 H new ATOM 0 HG1 THR A 755 10.576 -28.891 -6.212 1.00 41.11 H new ATOM 0 HG21 THR A 755 10.242 -29.475 -3.907 1.00 61.22 H new ATOM 0 HG22 THR A 755 11.095 -28.488 -2.696 1.00 61.22 H new ATOM 0 HG23 THR A 755 9.741 -27.792 -3.618 1.00 61.22 H new ATOM 676 N ASN A 756 12.955 -25.837 -6.551 1.00 60.11 N ATOM 677 CA ASN A 756 13.983 -25.455 -7.524 1.00 60.14 C ATOM 678 C ASN A 756 13.449 -24.417 -8.498 1.00 30.34 C ATOM 679 O ASN A 756 12.528 -24.693 -9.282 1.00 54.34 O ATOM 680 CB ASN A 756 14.490 -26.686 -8.300 1.00 20.43 C ATOM 681 CG ASN A 756 15.573 -26.331 -9.328 1.00 73.13 C ATOM 682 OD1 ASN A 756 15.278 -26.058 -10.504 1.00 32.21 O ATOM 683 ND2 ASN A 756 16.807 -26.327 -8.897 1.00 53.32 N ATOM 0 H ASN A 756 12.001 -25.785 -6.910 1.00 60.11 H new ATOM 0 HA ASN A 756 14.816 -25.021 -6.971 1.00 60.14 H new ATOM 0 HB2 ASN A 756 14.888 -27.416 -7.596 1.00 20.43 H new ATOM 0 HB3 ASN A 756 13.651 -27.160 -8.810 1.00 20.43 H new ATOM 0 HD21 ASN A 756 17.569 -26.094 -9.534 1.00 53.32 H new ATOM 0 HD22 ASN A 756 17.008 -26.557 -7.924 1.00 53.32 H new ATOM 690 N ILE A 757 13.997 -23.230 -8.435 1.00 55.54 N ATOM 691 CA ILE A 757 13.622 -22.164 -9.331 1.00 5.13 C ATOM 692 C ILE A 757 14.859 -21.398 -9.808 1.00 70.12 C ATOM 693 O ILE A 757 15.827 -21.243 -9.059 1.00 14.43 O ATOM 694 CB ILE A 757 12.609 -21.144 -8.685 1.00 42.12 C ATOM 695 CG1 ILE A 757 12.234 -21.498 -7.211 1.00 0.41 C ATOM 696 CG2 ILE A 757 11.353 -21.047 -9.526 1.00 14.45 C ATOM 697 CD1 ILE A 757 13.343 -21.324 -6.194 1.00 24.41 C ATOM 0 H ILE A 757 14.717 -22.974 -7.760 1.00 55.54 H new ATOM 0 HA ILE A 757 13.124 -22.642 -10.174 1.00 5.13 H new ATOM 0 HB ILE A 757 13.117 -20.180 -8.660 1.00 42.12 H new ATOM 0 HG12 ILE A 757 11.389 -20.878 -6.911 1.00 0.41 H new ATOM 0 HG13 ILE A 757 11.896 -22.534 -7.180 1.00 0.41 H new ATOM 0 HG21 ILE A 757 10.662 -20.339 -9.068 1.00 14.45 H new ATOM 0 HG22 ILE A 757 11.612 -20.705 -10.528 1.00 14.45 H new ATOM 0 HG23 ILE A 757 10.880 -22.027 -9.588 1.00 14.45 H new ATOM 0 HD11 ILE A 757 12.976 -21.597 -5.205 1.00 24.41 H new ATOM 0 HD12 ILE A 757 14.183 -21.966 -6.459 1.00 24.41 H new ATOM 0 HD13 ILE A 757 13.669 -20.284 -6.186 1.00 24.41 H new ATOM 709 N THR A 758 14.819 -20.916 -11.048 1.00 44.41 N ATOM 710 CA THR A 758 15.950 -20.199 -11.630 1.00 73.14 C ATOM 711 C THR A 758 16.118 -18.797 -11.011 1.00 33.14 C ATOM 712 O THR A 758 17.237 -18.338 -10.794 1.00 55.41 O ATOM 713 CB THR A 758 15.853 -20.104 -13.193 1.00 54.44 C ATOM 714 OG1 THR A 758 17.031 -19.473 -13.727 1.00 62.22 O ATOM 715 CG2 THR A 758 14.623 -19.322 -13.636 1.00 11.20 C ATOM 0 H THR A 758 14.015 -21.009 -11.669 1.00 44.41 H new ATOM 0 HA THR A 758 16.838 -20.784 -11.390 1.00 73.14 H new ATOM 0 HB THR A 758 15.770 -21.122 -13.575 1.00 54.44 H new ATOM 0 HG1 THR A 758 16.960 -19.421 -14.703 1.00 62.22 H new ATOM 0 HG21 THR A 758 14.592 -19.279 -14.725 1.00 11.20 H new ATOM 0 HG22 THR A 758 13.725 -19.817 -13.267 1.00 11.20 H new ATOM 0 HG23 THR A 758 14.671 -18.310 -13.234 1.00 11.20 H new ATOM 723 N TYR A 759 15.012 -18.133 -10.733 1.00 72.42 N ATOM 724 CA TYR A 759 15.062 -16.857 -10.045 1.00 13.13 C ATOM 725 C TYR A 759 15.335 -17.073 -8.586 1.00 72.03 C ATOM 726 O TYR A 759 16.016 -16.276 -7.941 1.00 53.44 O ATOM 727 CB TYR A 759 13.753 -16.068 -10.243 1.00 21.34 C ATOM 728 CG TYR A 759 13.716 -15.238 -11.524 1.00 44.00 C ATOM 729 CD1 TYR A 759 13.850 -15.829 -12.777 1.00 74.03 C ATOM 730 CD2 TYR A 759 13.552 -13.862 -11.468 1.00 2.25 C ATOM 731 CE1 TYR A 759 13.823 -15.065 -13.933 1.00 53.30 C ATOM 732 CE2 TYR A 759 13.520 -13.095 -12.613 1.00 22.34 C ATOM 733 CZ TYR A 759 13.658 -13.695 -13.839 1.00 41.22 C ATOM 734 OH TYR A 759 13.637 -12.917 -14.990 1.00 65.44 O ATOM 0 H TYR A 759 14.073 -18.453 -10.971 1.00 72.42 H new ATOM 0 HA TYR A 759 15.872 -16.266 -10.472 1.00 13.13 H new ATOM 0 HB2 TYR A 759 12.917 -16.767 -10.251 1.00 21.34 H new ATOM 0 HB3 TYR A 759 13.607 -15.406 -9.389 1.00 21.34 H new ATOM 0 HD1 TYR A 759 13.977 -16.899 -12.850 1.00 74.03 H new ATOM 0 HD2 TYR A 759 13.447 -13.381 -10.507 1.00 2.25 H new ATOM 0 HE1 TYR A 759 13.930 -15.536 -14.899 1.00 53.30 H new ATOM 0 HE2 TYR A 759 13.387 -12.025 -12.545 1.00 22.34 H new ATOM 0 HH TYR A 759 13.512 -11.976 -14.747 1.00 65.44 H new ATOM 744 N ARG A 760 14.794 -18.181 -8.064 1.00 31.11 N ATOM 745 CA ARG A 760 14.967 -18.596 -6.660 1.00 45.22 C ATOM 746 C ARG A 760 14.382 -17.568 -5.683 1.00 4.31 C ATOM 747 O ARG A 760 14.513 -17.689 -4.469 1.00 22.00 O ATOM 748 CB ARG A 760 16.433 -18.927 -6.363 1.00 63.31 C ATOM 749 CG ARG A 760 16.647 -19.776 -5.137 1.00 21.13 C ATOM 750 CD ARG A 760 17.847 -20.676 -5.313 1.00 30.52 C ATOM 751 NE ARG A 760 19.082 -19.926 -5.553 1.00 25.43 N ATOM 752 CZ ARG A 760 20.206 -20.453 -6.075 1.00 63.23 C ATOM 753 NH1 ARG A 760 20.226 -21.719 -6.484 1.00 52.31 N ATOM 754 NH2 ARG A 760 21.292 -19.712 -6.196 1.00 11.45 N ATOM 0 H ARG A 760 14.217 -18.823 -8.607 1.00 31.11 H new ATOM 0 HA ARG A 760 14.396 -19.512 -6.508 1.00 45.22 H new ATOM 0 HB2 ARG A 760 16.857 -19.442 -7.225 1.00 63.31 H new ATOM 0 HB3 ARG A 760 16.986 -17.995 -6.245 1.00 63.31 H new ATOM 0 HG2 ARG A 760 16.791 -19.136 -4.266 1.00 21.13 H new ATOM 0 HG3 ARG A 760 15.759 -20.379 -4.947 1.00 21.13 H new ATOM 0 HD2 ARG A 760 17.968 -21.293 -4.422 1.00 30.52 H new ATOM 0 HD3 ARG A 760 17.669 -21.353 -6.148 1.00 30.52 H new ATOM 0 HE ARG A 760 19.091 -18.936 -5.308 1.00 25.43 H new ATOM 0 HH11 ARG A 760 19.388 -22.294 -6.403 1.00 52.31 H new ATOM 0 HH12 ARG A 760 21.080 -22.114 -6.879 1.00 52.31 H new ATOM 0 HH21 ARG A 760 21.281 -18.738 -5.894 1.00 11.45 H new ATOM 0 HH22 ARG A 760 22.142 -20.114 -6.592 1.00 11.45 H new ATOM 768 N GLY A 761 13.710 -16.612 -6.230 1.00 41.44 N ATOM 769 CA GLY A 761 13.091 -15.596 -5.468 1.00 45.12 C ATOM 770 C GLY A 761 11.953 -14.987 -6.217 1.00 44.22 C ATOM 771 O GLY A 761 11.486 -13.914 -5.884 1.00 40.22 O ATOM 0 H GLY A 761 13.577 -16.518 -7.237 1.00 41.44 H new ATOM 0 HA2 GLY A 761 12.731 -16.010 -4.526 1.00 45.12 H new ATOM 0 HA3 GLY A 761 13.821 -14.826 -5.219 1.00 45.12 H new ATOM 775 N THR A 762 11.517 -15.686 -7.253 1.00 44.34 N ATOM 776 CA THR A 762 10.428 -15.250 -8.086 1.00 71.14 C ATOM 777 C THR A 762 9.099 -15.151 -7.265 1.00 50.35 C ATOM 778 O THR A 762 8.429 -16.174 -7.064 1.00 74.45 O ATOM 779 CB THR A 762 10.269 -16.200 -9.350 1.00 51.11 C ATOM 780 OG1 THR A 762 9.125 -15.835 -10.151 1.00 24.54 O ATOM 781 CG2 THR A 762 10.176 -17.670 -8.936 1.00 31.21 C ATOM 782 OXT THR A 762 8.768 -14.029 -6.811 1.00 38.20 O ATOM 0 H THR A 762 11.919 -16.580 -7.535 1.00 44.34 H new ATOM 0 HA THR A 762 10.657 -14.250 -8.454 1.00 71.14 H new ATOM 0 HB THR A 762 11.164 -16.069 -9.958 1.00 51.11 H new ATOM 0 HG1 THR A 762 9.058 -16.439 -10.920 1.00 24.54 H new ATOM 0 HG21 THR A 762 10.068 -18.292 -9.824 1.00 31.21 H new ATOM 0 HG22 THR A 762 11.082 -17.955 -8.401 1.00 31.21 H new ATOM 0 HG23 THR A 762 9.312 -17.811 -8.287 1.00 31.21 H new