USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -39:sc= 0.0257 USER MOD Single : A 743 ASN :FLIP amide:sc= -2.62! C(o=-3.3!,f=-2.6!) USER MOD Single : A 744 ASN : amide:sc= -0.773 K(o=-0.77,f=-1.3!) USER MOD Single : A 748 LYS NZ :NH3+ 134:sc= 1.05 (180deg=-0.566!) USER MOD Single : A 751 THR OG1 : rot 143:sc= -0.385 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot 97:sc= -0.649 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0.0412 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 2.461 -4.557 -2.136 1.00 41.33 N ATOM 24 CA LEU A 717 3.068 -5.832 -1.819 1.00 32.14 C ATOM 25 C LEU A 717 3.162 -6.742 -3.041 1.00 3.20 C ATOM 26 O LEU A 717 4.158 -7.433 -3.226 1.00 24.25 O ATOM 27 CB LEU A 717 2.323 -6.522 -0.707 1.00 13.24 C ATOM 28 CG LEU A 717 2.962 -7.800 -0.195 1.00 34.30 C ATOM 29 CD1 LEU A 717 4.197 -7.486 0.635 1.00 30.31 C ATOM 30 CD2 LEU A 717 1.973 -8.624 0.591 1.00 23.04 C ATOM 0 HA LEU A 717 4.084 -5.625 -1.484 1.00 32.14 H new ATOM 0 HB2 LEU A 717 2.221 -5.827 0.126 1.00 13.24 H new ATOM 0 HB3 LEU A 717 1.316 -6.752 -1.055 1.00 13.24 H new ATOM 0 HG LEU A 717 3.274 -8.392 -1.055 1.00 34.30 H new ATOM 0 HD11 LEU A 717 4.641 -8.415 0.993 1.00 30.31 H new ATOM 0 HD12 LEU A 717 4.921 -6.951 0.021 1.00 30.31 H new ATOM 0 HD13 LEU A 717 3.915 -6.867 1.487 1.00 30.31 H new ATOM 0 HD21 LEU A 717 2.458 -9.534 0.946 1.00 23.04 H new ATOM 0 HD22 LEU A 717 1.615 -8.047 1.444 1.00 23.04 H new ATOM 0 HD23 LEU A 717 1.130 -8.888 -0.048 1.00 23.04 H new ATOM 42 N LEU A 718 2.139 -6.725 -3.873 1.00 31.32 N ATOM 43 CA LEU A 718 2.119 -7.566 -5.083 1.00 11.23 C ATOM 44 C LEU A 718 3.267 -7.204 -5.999 1.00 42.42 C ATOM 45 O LEU A 718 3.866 -8.063 -6.642 1.00 54.51 O ATOM 46 CB LEU A 718 0.779 -7.423 -5.850 1.00 54.12 C ATOM 47 CG LEU A 718 -0.484 -8.022 -5.189 1.00 30.05 C ATOM 48 CD1 LEU A 718 -0.892 -7.233 -3.962 1.00 13.20 C ATOM 49 CD2 LEU A 718 -1.624 -8.081 -6.188 1.00 1.42 C ATOM 0 H LEU A 718 1.309 -6.146 -3.746 1.00 31.32 H new ATOM 0 HA LEU A 718 2.224 -8.602 -4.762 1.00 11.23 H new ATOM 0 HB2 LEU A 718 0.599 -6.361 -6.020 1.00 54.12 H new ATOM 0 HB3 LEU A 718 0.900 -7.887 -6.829 1.00 54.12 H new ATOM 0 HG LEU A 718 -0.246 -9.036 -4.867 1.00 30.05 H new ATOM 0 HD11 LEU A 718 -1.783 -7.680 -3.521 1.00 13.20 H new ATOM 0 HD12 LEU A 718 -0.081 -7.247 -3.234 1.00 13.20 H new ATOM 0 HD13 LEU A 718 -1.106 -6.203 -4.246 1.00 13.20 H new ATOM 0 HD21 LEU A 718 -2.506 -8.505 -5.709 1.00 1.42 H new ATOM 0 HD22 LEU A 718 -1.851 -7.075 -6.541 1.00 1.42 H new ATOM 0 HD23 LEU A 718 -1.335 -8.706 -7.033 1.00 1.42 H new ATOM 61 N ILE A 719 3.581 -5.942 -6.032 1.00 55.51 N ATOM 62 CA ILE A 719 4.619 -5.442 -6.867 1.00 0.31 C ATOM 63 C ILE A 719 5.977 -5.600 -6.198 1.00 52.34 C ATOM 64 O ILE A 719 7.000 -5.778 -6.874 1.00 64.12 O ATOM 65 CB ILE A 719 4.363 -3.943 -7.230 1.00 22.14 C ATOM 66 CG1 ILE A 719 3.051 -3.806 -8.017 1.00 60.22 C ATOM 67 CG2 ILE A 719 5.525 -3.349 -8.014 1.00 64.14 C ATOM 68 CD1 ILE A 719 3.013 -4.619 -9.299 1.00 73.21 C ATOM 0 H ILE A 719 3.115 -5.228 -5.472 1.00 55.51 H new ATOM 0 HA ILE A 719 4.620 -6.026 -7.788 1.00 0.31 H new ATOM 0 HB ILE A 719 4.278 -3.382 -6.299 1.00 22.14 H new ATOM 0 HG12 ILE A 719 2.223 -4.114 -7.379 1.00 60.22 H new ATOM 0 HG13 ILE A 719 2.893 -2.755 -8.260 1.00 60.22 H new ATOM 0 HG21 ILE A 719 5.311 -2.306 -8.248 1.00 64.14 H new ATOM 0 HG22 ILE A 719 6.435 -3.407 -7.416 1.00 64.14 H new ATOM 0 HG23 ILE A 719 5.663 -3.908 -8.940 1.00 64.14 H new ATOM 0 HD11 ILE A 719 2.055 -4.469 -9.797 1.00 73.21 H new ATOM 0 HD12 ILE A 719 3.819 -4.297 -9.958 1.00 73.21 H new ATOM 0 HD13 ILE A 719 3.138 -5.676 -9.063 1.00 73.21 H new ATOM 80 N THR A 720 5.991 -5.596 -4.859 1.00 54.20 N ATOM 81 CA THR A 720 7.241 -5.644 -4.146 1.00 13.12 C ATOM 82 C THR A 720 7.908 -7.018 -4.313 1.00 21.00 C ATOM 83 O THR A 720 9.102 -7.170 -4.096 1.00 32.41 O ATOM 84 CB THR A 720 7.084 -5.288 -2.632 1.00 44.21 C ATOM 85 OG1 THR A 720 8.309 -4.739 -2.142 1.00 65.03 O ATOM 86 CG2 THR A 720 6.734 -6.522 -1.812 1.00 24.02 C ATOM 0 H THR A 720 5.159 -5.560 -4.270 1.00 54.20 H new ATOM 0 HA THR A 720 7.885 -4.882 -4.585 1.00 13.12 H new ATOM 0 HB THR A 720 6.277 -4.562 -2.535 1.00 44.21 H new ATOM 0 HG1 THR A 720 8.210 -4.514 -1.193 1.00 65.03 H new ATOM 0 HG21 THR A 720 6.631 -6.245 -0.763 1.00 24.02 H new ATOM 0 HG22 THR A 720 5.794 -6.942 -2.170 1.00 24.02 H new ATOM 0 HG23 THR A 720 7.526 -7.264 -1.915 1.00 24.02 H new ATOM 94 N ILE A 721 7.109 -8.005 -4.726 1.00 12.13 N ATOM 95 CA ILE A 721 7.596 -9.348 -5.001 1.00 3.35 C ATOM 96 C ILE A 721 8.686 -9.305 -6.067 1.00 34.02 C ATOM 97 O ILE A 721 9.661 -10.065 -6.020 1.00 63.44 O ATOM 98 CB ILE A 721 6.438 -10.257 -5.496 1.00 62.54 C ATOM 99 CG1 ILE A 721 5.344 -10.354 -4.425 1.00 50.44 C ATOM 100 CG2 ILE A 721 6.955 -11.644 -5.874 1.00 13.15 C ATOM 101 CD1 ILE A 721 4.144 -11.172 -4.844 1.00 23.54 C ATOM 0 H ILE A 721 6.107 -7.890 -4.877 1.00 12.13 H new ATOM 0 HA ILE A 721 8.004 -9.756 -4.076 1.00 3.35 H new ATOM 0 HB ILE A 721 6.007 -9.808 -6.391 1.00 62.54 H new ATOM 0 HG12 ILE A 721 5.771 -10.791 -3.522 1.00 50.44 H new ATOM 0 HG13 ILE A 721 5.013 -9.348 -4.166 1.00 50.44 H new ATOM 0 HG21 ILE A 721 6.124 -12.261 -6.217 1.00 13.15 H new ATOM 0 HG22 ILE A 721 7.693 -11.553 -6.671 1.00 13.15 H new ATOM 0 HG23 ILE A 721 7.417 -12.110 -5.004 1.00 13.15 H new ATOM 0 HD11 ILE A 721 3.416 -11.192 -4.033 1.00 23.54 H new ATOM 0 HD12 ILE A 721 3.689 -10.725 -5.728 1.00 23.54 H new ATOM 0 HD13 ILE A 721 4.460 -12.190 -5.074 1.00 23.54 H new ATOM 113 N HIS A 722 8.532 -8.398 -7.001 1.00 2.11 N ATOM 114 CA HIS A 722 9.477 -8.250 -8.070 1.00 4.01 C ATOM 115 C HIS A 722 10.740 -7.600 -7.552 1.00 34.30 C ATOM 116 O HIS A 722 11.852 -7.933 -7.969 1.00 22.23 O ATOM 117 CB HIS A 722 8.883 -7.405 -9.166 1.00 72.03 C ATOM 118 CG HIS A 722 9.408 -7.725 -10.492 1.00 0.30 C ATOM 119 ND1 HIS A 722 10.202 -6.874 -11.225 1.00 55.50 N ATOM 120 CD2 HIS A 722 9.238 -8.811 -11.237 1.00 71.33 C ATOM 121 CE1 HIS A 722 10.495 -7.440 -12.378 1.00 45.20 C ATOM 122 NE2 HIS A 722 9.919 -8.621 -12.410 1.00 15.31 N ATOM 0 H HIS A 722 7.749 -7.746 -7.038 1.00 2.11 H new ATOM 0 HA HIS A 722 9.719 -9.235 -8.469 1.00 4.01 H new ATOM 0 HB2 HIS A 722 7.801 -7.536 -9.170 1.00 72.03 H new ATOM 0 HB3 HIS A 722 9.076 -6.354 -8.950 1.00 72.03 H new ATOM 0 HD2 HIS A 722 8.666 -9.686 -10.967 1.00 71.33 H new ATOM 0 HE1 HIS A 722 11.102 -7.009 -13.160 1.00 45.20 H new ATOM 0 HE2 HIS A 722 9.971 -9.286 -13.181 1.00 15.31 H new ATOM 131 N ASP A 723 10.563 -6.694 -6.623 1.00 42.01 N ATOM 132 CA ASP A 723 11.677 -5.970 -6.016 1.00 52.13 C ATOM 133 C ASP A 723 12.439 -6.862 -5.063 1.00 14.03 C ATOM 134 O ASP A 723 13.578 -6.572 -4.703 1.00 10.03 O ATOM 135 CB ASP A 723 11.184 -4.724 -5.273 1.00 64.13 C ATOM 136 CG ASP A 723 10.533 -3.702 -6.180 1.00 43.15 C ATOM 137 OD1 ASP A 723 11.259 -2.893 -6.785 1.00 4.41 O ATOM 138 OD2 ASP A 723 9.294 -3.697 -6.286 1.00 30.44 O ATOM 0 H ASP A 723 9.647 -6.430 -6.259 1.00 42.01 H new ATOM 0 HA ASP A 723 12.343 -5.657 -6.820 1.00 52.13 H new ATOM 0 HB2 ASP A 723 10.470 -5.026 -4.507 1.00 64.13 H new ATOM 0 HB3 ASP A 723 12.026 -4.259 -4.759 1.00 64.13 H new ATOM 143 N ARG A 724 11.803 -7.950 -4.643 1.00 32.45 N ATOM 144 CA ARG A 724 12.459 -8.947 -3.803 1.00 13.13 C ATOM 145 C ARG A 724 13.596 -9.615 -4.554 1.00 54.41 C ATOM 146 O ARG A 724 14.487 -10.179 -3.961 1.00 4.52 O ATOM 147 CB ARG A 724 11.463 -9.994 -3.317 1.00 10.31 C ATOM 148 CG ARG A 724 10.413 -9.450 -2.380 1.00 25.55 C ATOM 149 CD ARG A 724 9.432 -10.521 -1.977 1.00 44.25 C ATOM 150 NE ARG A 724 8.405 -10.010 -1.070 1.00 5.31 N ATOM 151 CZ ARG A 724 7.212 -10.563 -0.899 1.00 62.23 C ATOM 152 NH1 ARG A 724 6.876 -11.655 -1.582 1.00 2.04 N ATOM 153 NH2 ARG A 724 6.361 -10.029 -0.047 1.00 70.02 N ATOM 0 H ARG A 724 10.832 -8.165 -4.871 1.00 32.45 H new ATOM 0 HA ARG A 724 12.868 -8.433 -2.933 1.00 13.13 H new ATOM 0 HB2 ARG A 724 10.969 -10.440 -4.180 1.00 10.31 H new ATOM 0 HB3 ARG A 724 12.007 -10.793 -2.813 1.00 10.31 H new ATOM 0 HG2 ARG A 724 10.893 -9.040 -1.491 1.00 25.55 H new ATOM 0 HG3 ARG A 724 9.882 -8.630 -2.863 1.00 25.55 H new ATOM 0 HD2 ARG A 724 8.957 -10.931 -2.868 1.00 44.25 H new ATOM 0 HD3 ARG A 724 9.967 -11.340 -1.495 1.00 44.25 H new ATOM 0 HE ARG A 724 8.621 -9.171 -0.532 1.00 5.31 H new ATOM 0 HH11 ARG A 724 7.537 -12.069 -2.239 1.00 2.04 H new ATOM 0 HH12 ARG A 724 5.957 -12.078 -1.448 1.00 2.04 H new ATOM 0 HH21 ARG A 724 6.621 -9.194 0.478 1.00 70.02 H new ATOM 0 HH22 ARG A 724 5.442 -10.451 0.088 1.00 70.02 H new ATOM 167 N LYS A 725 13.525 -9.592 -5.852 1.00 44.14 N ATOM 168 CA LYS A 725 14.623 -10.033 -6.650 1.00 23.00 C ATOM 169 C LYS A 725 15.664 -8.919 -6.803 1.00 44.22 C ATOM 170 O LYS A 725 16.784 -9.048 -6.349 1.00 63.53 O ATOM 171 CB LYS A 725 14.145 -10.566 -8.031 1.00 21.40 C ATOM 172 CG LYS A 725 15.215 -11.355 -8.812 1.00 41.25 C ATOM 173 CD LYS A 725 16.255 -10.440 -9.456 1.00 2.44 C ATOM 174 CE LYS A 725 17.639 -11.049 -9.374 1.00 12.21 C ATOM 175 NZ LYS A 725 18.641 -10.272 -10.134 1.00 55.21 N ATOM 0 H LYS A 725 12.713 -9.271 -6.380 1.00 44.14 H new ATOM 0 HA LYS A 725 15.101 -10.866 -6.135 1.00 23.00 H new ATOM 0 HB2 LYS A 725 13.277 -11.207 -7.879 1.00 21.40 H new ATOM 0 HB3 LYS A 725 13.816 -9.723 -8.639 1.00 21.40 H new ATOM 0 HG2 LYS A 725 15.714 -12.051 -8.138 1.00 41.25 H new ATOM 0 HG3 LYS A 725 14.731 -11.952 -9.585 1.00 41.25 H new ATOM 0 HD2 LYS A 725 15.993 -10.263 -10.499 1.00 2.44 H new ATOM 0 HD3 LYS A 725 16.250 -9.471 -8.957 1.00 2.44 H new ATOM 0 HE2 LYS A 725 17.945 -11.109 -8.330 1.00 12.21 H new ATOM 0 HE3 LYS A 725 17.608 -12.069 -9.756 1.00 12.21 H new ATOM 0 HZ1 LYS A 725 19.572 -10.728 -10.048 1.00 55.21 H new ATOM 0 HZ2 LYS A 725 18.365 -10.235 -11.136 1.00 55.21 H new ATOM 0 HZ3 LYS A 725 18.692 -9.305 -9.754 1.00 55.21 H new ATOM 189 N GLU A 726 15.260 -7.828 -7.431 1.00 34.03 N ATOM 190 CA GLU A 726 16.186 -6.771 -7.825 1.00 51.12 C ATOM 191 C GLU A 726 16.746 -6.006 -6.617 1.00 52.02 C ATOM 192 O GLU A 726 17.957 -6.039 -6.354 1.00 63.23 O ATOM 193 CB GLU A 726 15.490 -5.804 -8.774 1.00 71.25 C ATOM 194 CG GLU A 726 16.401 -4.764 -9.388 1.00 72.33 C ATOM 195 CD GLU A 726 17.392 -5.361 -10.334 1.00 41.12 C ATOM 196 OE1 GLU A 726 16.985 -5.750 -11.454 1.00 64.53 O ATOM 197 OE2 GLU A 726 18.576 -5.458 -9.978 1.00 50.35 O ATOM 0 H GLU A 726 14.288 -7.647 -7.682 1.00 34.03 H new ATOM 0 HA GLU A 726 17.029 -7.245 -8.328 1.00 51.12 H new ATOM 0 HB2 GLU A 726 15.020 -6.375 -9.575 1.00 71.25 H new ATOM 0 HB3 GLU A 726 14.691 -5.296 -8.234 1.00 71.25 H new ATOM 0 HG2 GLU A 726 15.799 -4.024 -9.916 1.00 72.33 H new ATOM 0 HG3 GLU A 726 16.932 -4.237 -8.595 1.00 72.33 H new ATOM 204 N PHE A 727 15.873 -5.339 -5.886 1.00 70.23 N ATOM 205 CA PHE A 727 16.296 -4.509 -4.774 1.00 54.32 C ATOM 206 C PHE A 727 16.901 -5.325 -3.664 1.00 73.23 C ATOM 207 O PHE A 727 17.889 -4.920 -3.060 1.00 40.42 O ATOM 208 CB PHE A 727 15.153 -3.665 -4.240 1.00 51.13 C ATOM 209 CG PHE A 727 15.533 -2.880 -3.027 1.00 24.44 C ATOM 210 CD1 PHE A 727 16.394 -1.805 -3.128 1.00 30.43 C ATOM 211 CD2 PHE A 727 15.042 -3.225 -1.788 1.00 14.23 C ATOM 212 CE1 PHE A 727 16.757 -1.087 -2.010 1.00 40.42 C ATOM 213 CE2 PHE A 727 15.396 -2.517 -0.669 1.00 53.20 C ATOM 214 CZ PHE A 727 16.258 -1.442 -0.776 1.00 42.23 C ATOM 0 H PHE A 727 14.865 -5.356 -6.043 1.00 70.23 H new ATOM 0 HA PHE A 727 17.065 -3.840 -5.161 1.00 54.32 H new ATOM 0 HB2 PHE A 727 14.817 -2.981 -5.019 1.00 51.13 H new ATOM 0 HB3 PHE A 727 14.310 -4.313 -3.999 1.00 51.13 H new ATOM 0 HD1 PHE A 727 16.787 -1.524 -4.094 1.00 30.43 H new ATOM 0 HD2 PHE A 727 14.369 -4.065 -1.696 1.00 14.23 H new ATOM 0 HE1 PHE A 727 17.431 -0.248 -2.101 1.00 40.42 H new ATOM 0 HE2 PHE A 727 15.001 -2.799 0.296 1.00 53.20 H new ATOM 0 HZ PHE A 727 16.539 -0.883 0.104 1.00 42.23 H new ATOM 224 N ALA A 728 16.323 -6.459 -3.391 1.00 24.52 N ATOM 225 CA ALA A 728 16.831 -7.305 -2.349 1.00 23.30 C ATOM 226 C ALA A 728 18.221 -7.748 -2.662 1.00 53.53 C ATOM 227 O ALA A 728 19.078 -7.728 -1.811 1.00 73.42 O ATOM 228 CB ALA A 728 15.954 -8.469 -2.132 1.00 53.23 C ATOM 0 H ALA A 728 15.500 -6.819 -3.875 1.00 24.52 H new ATOM 0 HA ALA A 728 16.852 -6.724 -1.427 1.00 23.30 H new ATOM 0 HB1 ALA A 728 16.365 -9.091 -1.337 1.00 53.23 H new ATOM 0 HB2 ALA A 728 14.959 -8.127 -1.847 1.00 53.23 H new ATOM 0 HB3 ALA A 728 15.888 -9.051 -3.051 1.00 53.23 H new ATOM 234 N LYS A 729 18.454 -8.132 -3.910 1.00 11.24 N ATOM 235 CA LYS A 729 19.781 -8.514 -4.331 1.00 3.42 C ATOM 236 C LYS A 729 20.760 -7.343 -4.202 1.00 34.54 C ATOM 237 O LYS A 729 21.967 -7.543 -3.985 1.00 4.44 O ATOM 238 CB LYS A 729 19.769 -9.059 -5.754 1.00 43.24 C ATOM 239 CG LYS A 729 21.117 -9.602 -6.256 1.00 21.02 C ATOM 240 CD LYS A 729 21.513 -10.930 -5.579 1.00 41.31 C ATOM 241 CE LYS A 729 22.070 -10.745 -4.186 1.00 43.23 C ATOM 242 NZ LYS A 729 22.761 -11.965 -3.713 1.00 41.43 N ATOM 0 H LYS A 729 17.742 -8.185 -4.639 1.00 11.24 H new ATOM 0 HA LYS A 729 20.122 -9.310 -3.669 1.00 3.42 H new ATOM 0 HB2 LYS A 729 19.028 -9.856 -5.815 1.00 43.24 H new ATOM 0 HB3 LYS A 729 19.441 -8.267 -6.427 1.00 43.24 H new ATOM 0 HG2 LYS A 729 21.065 -9.750 -7.335 1.00 21.02 H new ATOM 0 HG3 LYS A 729 21.894 -8.860 -6.073 1.00 21.02 H new ATOM 0 HD2 LYS A 729 20.640 -11.580 -5.531 1.00 41.31 H new ATOM 0 HD3 LYS A 729 22.255 -11.438 -6.196 1.00 41.31 H new ATOM 0 HE2 LYS A 729 22.765 -9.906 -4.179 1.00 43.23 H new ATOM 0 HE3 LYS A 729 21.261 -10.494 -3.500 1.00 43.23 H new ATOM 0 HZ1 LYS A 729 23.131 -11.805 -2.754 1.00 41.43 H new ATOM 0 HZ2 LYS A 729 22.090 -12.760 -3.697 1.00 41.43 H new ATOM 0 HZ3 LYS A 729 23.548 -12.189 -4.355 1.00 41.43 H new ATOM 256 N PHE A 730 20.243 -6.146 -4.309 1.00 52.35 N ATOM 257 CA PHE A 730 21.040 -4.971 -4.175 1.00 35.10 C ATOM 258 C PHE A 730 21.444 -4.802 -2.754 1.00 73.53 C ATOM 259 O PHE A 730 22.621 -4.624 -2.439 1.00 5.23 O ATOM 260 CB PHE A 730 20.240 -3.769 -4.597 1.00 44.41 C ATOM 261 CG PHE A 730 21.045 -2.510 -4.697 1.00 43.22 C ATOM 262 CD1 PHE A 730 21.827 -2.264 -5.800 1.00 53.13 C ATOM 263 CD2 PHE A 730 21.021 -1.576 -3.675 1.00 64.13 C ATOM 264 CE1 PHE A 730 22.571 -1.114 -5.890 1.00 1.01 C ATOM 265 CE2 PHE A 730 21.763 -0.426 -3.759 1.00 43.20 C ATOM 266 CZ PHE A 730 22.539 -0.193 -4.867 1.00 4.34 C ATOM 0 H PHE A 730 19.256 -5.967 -4.492 1.00 52.35 H new ATOM 0 HA PHE A 730 21.925 -5.067 -4.803 1.00 35.10 H new ATOM 0 HB2 PHE A 730 19.780 -3.972 -5.564 1.00 44.41 H new ATOM 0 HB3 PHE A 730 19.430 -3.615 -3.884 1.00 44.41 H new ATOM 0 HD1 PHE A 730 21.856 -2.983 -6.605 1.00 53.13 H new ATOM 0 HD2 PHE A 730 20.411 -1.755 -2.802 1.00 64.13 H new ATOM 0 HE1 PHE A 730 23.181 -0.932 -6.762 1.00 1.01 H new ATOM 0 HE2 PHE A 730 21.737 0.295 -2.955 1.00 43.20 H new ATOM 0 HZ PHE A 730 23.124 0.712 -4.936 1.00 4.34 H new ATOM 276 N GLU A 731 20.477 -4.869 -1.891 1.00 44.40 N ATOM 277 CA GLU A 731 20.689 -4.646 -0.519 1.00 12.43 C ATOM 278 C GLU A 731 21.488 -5.788 0.106 1.00 73.14 C ATOM 279 O GLU A 731 22.223 -5.577 1.067 1.00 32.23 O ATOM 280 CB GLU A 731 19.364 -4.422 0.203 1.00 15.12 C ATOM 281 CG GLU A 731 18.581 -5.688 0.510 1.00 3.14 C ATOM 282 CD GLU A 731 17.371 -5.426 1.362 1.00 42.34 C ATOM 283 OE1 GLU A 731 17.527 -4.889 2.476 1.00 32.30 O ATOM 284 OE2 GLU A 731 16.265 -5.761 0.939 1.00 72.52 O ATOM 0 H GLU A 731 19.511 -5.084 -2.137 1.00 44.40 H new ATOM 0 HA GLU A 731 21.282 -3.738 -0.407 1.00 12.43 H new ATOM 0 HB2 GLU A 731 19.561 -3.898 1.138 1.00 15.12 H new ATOM 0 HB3 GLU A 731 18.742 -3.766 -0.405 1.00 15.12 H new ATOM 0 HG2 GLU A 731 18.269 -6.154 -0.425 1.00 3.14 H new ATOM 0 HG3 GLU A 731 19.232 -6.399 1.018 1.00 3.14 H new ATOM 291 N GLU A 732 21.348 -7.014 -0.470 1.00 12.22 N ATOM 292 CA GLU A 732 22.083 -8.178 -0.010 1.00 41.45 C ATOM 293 C GLU A 732 23.571 -7.951 -0.049 1.00 75.15 C ATOM 294 O GLU A 732 24.290 -8.493 0.756 1.00 15.31 O ATOM 295 CB GLU A 732 21.723 -9.416 -0.825 1.00 70.13 C ATOM 296 CG GLU A 732 20.403 -10.056 -0.446 1.00 14.51 C ATOM 297 CD GLU A 732 20.071 -11.242 -1.312 1.00 13.03 C ATOM 298 OE1 GLU A 732 20.858 -12.183 -1.345 1.00 21.21 O ATOM 299 OE2 GLU A 732 19.013 -11.235 -1.962 1.00 61.42 O ATOM 0 H GLU A 732 20.725 -7.200 -1.256 1.00 12.22 H new ATOM 0 HA GLU A 732 21.792 -8.345 1.027 1.00 41.45 H new ATOM 0 HB2 GLU A 732 21.691 -9.144 -1.880 1.00 70.13 H new ATOM 0 HB3 GLU A 732 22.517 -10.154 -0.710 1.00 70.13 H new ATOM 0 HG2 GLU A 732 20.441 -10.370 0.597 1.00 14.51 H new ATOM 0 HG3 GLU A 732 19.607 -9.316 -0.527 1.00 14.51 H new ATOM 306 N GLU A 733 24.031 -7.132 -0.984 1.00 2.24 N ATOM 307 CA GLU A 733 25.448 -6.847 -1.088 1.00 62.05 C ATOM 308 C GLU A 733 25.992 -6.337 0.238 1.00 20.41 C ATOM 309 O GLU A 733 26.957 -6.850 0.746 1.00 11.44 O ATOM 310 CB GLU A 733 25.734 -5.843 -2.203 1.00 52.34 C ATOM 311 CG GLU A 733 25.230 -6.279 -3.560 1.00 71.53 C ATOM 312 CD GLU A 733 25.797 -5.451 -4.687 1.00 23.01 C ATOM 313 OE1 GLU A 733 25.299 -4.333 -4.930 1.00 1.12 O ATOM 314 OE2 GLU A 733 26.749 -5.916 -5.344 1.00 14.53 O ATOM 0 H GLU A 733 23.447 -6.659 -1.674 1.00 2.24 H new ATOM 0 HA GLU A 733 25.955 -7.779 -1.338 1.00 62.05 H new ATOM 0 HB2 GLU A 733 25.276 -4.888 -1.945 1.00 52.34 H new ATOM 0 HB3 GLU A 733 26.809 -5.676 -2.262 1.00 52.34 H new ATOM 0 HG2 GLU A 733 25.488 -7.326 -3.719 1.00 71.53 H new ATOM 0 HG3 GLU A 733 24.142 -6.212 -3.577 1.00 71.53 H new ATOM 321 N ARG A 734 25.359 -5.329 0.777 1.00 13.11 N ATOM 322 CA ARG A 734 25.750 -4.788 2.065 1.00 51.03 C ATOM 323 C ARG A 734 25.177 -5.582 3.242 1.00 12.22 C ATOM 324 O ARG A 734 25.896 -5.910 4.190 1.00 45.42 O ATOM 325 CB ARG A 734 25.389 -3.322 2.170 1.00 20.11 C ATOM 326 CG ARG A 734 26.157 -2.464 1.210 1.00 1.20 C ATOM 327 CD ARG A 734 27.646 -2.701 1.363 1.00 33.42 C ATOM 328 NE ARG A 734 28.425 -1.970 0.371 1.00 1.33 N ATOM 329 CZ ARG A 734 29.758 -1.903 0.353 1.00 43.24 C ATOM 330 NH1 ARG A 734 30.473 -2.527 1.288 1.00 30.43 N ATOM 331 NH2 ARG A 734 30.374 -1.216 -0.597 1.00 12.11 N ATOM 0 H ARG A 734 24.564 -4.858 0.345 1.00 13.11 H new ATOM 0 HA ARG A 734 26.834 -4.883 2.126 1.00 51.03 H new ATOM 0 HB2 ARG A 734 24.322 -3.201 1.984 1.00 20.11 H new ATOM 0 HB3 ARG A 734 25.576 -2.978 3.187 1.00 20.11 H new ATOM 0 HG2 ARG A 734 25.850 -2.687 0.188 1.00 1.20 H new ATOM 0 HG3 ARG A 734 25.929 -1.413 1.389 1.00 1.20 H new ATOM 0 HD2 ARG A 734 27.959 -2.400 2.363 1.00 33.42 H new ATOM 0 HD3 ARG A 734 27.854 -3.767 1.272 1.00 33.42 H new ATOM 0 HE ARG A 734 27.916 -1.475 -0.361 1.00 1.33 H new ATOM 0 HH11 ARG A 734 30.002 -3.058 2.021 1.00 30.43 H new ATOM 0 HH12 ARG A 734 31.491 -2.474 1.271 1.00 30.43 H new ATOM 0 HH21 ARG A 734 29.830 -0.738 -1.315 1.00 12.11 H new ATOM 0 HH22 ARG A 734 31.393 -1.165 -0.611 1.00 12.11 H new ATOM 345 N ALA A 735 23.902 -5.887 3.170 1.00 0.34 N ATOM 346 CA ALA A 735 23.182 -6.518 4.286 1.00 73.45 C ATOM 347 C ALA A 735 23.644 -7.947 4.516 1.00 20.21 C ATOM 348 O ALA A 735 23.982 -8.334 5.634 1.00 3.44 O ATOM 349 CB ALA A 735 21.683 -6.486 4.023 1.00 1.43 C ATOM 0 H ALA A 735 23.325 -5.712 2.348 1.00 0.34 H new ATOM 0 HA ALA A 735 23.403 -5.950 5.190 1.00 73.45 H new ATOM 0 HB1 ALA A 735 21.158 -6.955 4.855 1.00 1.43 H new ATOM 0 HB2 ALA A 735 21.353 -5.452 3.923 1.00 1.43 H new ATOM 0 HB3 ALA A 735 21.463 -7.028 3.103 1.00 1.43 H new ATOM 355 N ARG A 736 23.682 -8.704 3.469 1.00 54.44 N ATOM 356 CA ARG A 736 24.015 -10.113 3.542 1.00 33.22 C ATOM 357 C ARG A 736 25.540 -10.304 3.664 1.00 34.04 C ATOM 358 O ARG A 736 26.022 -11.407 3.896 1.00 61.25 O ATOM 359 CB ARG A 736 23.457 -10.831 2.299 1.00 24.13 C ATOM 360 CG ARG A 736 23.683 -12.323 2.238 1.00 3.00 C ATOM 361 CD ARG A 736 23.033 -12.903 0.990 1.00 0.13 C ATOM 362 NE ARG A 736 23.717 -14.102 0.504 1.00 3.42 N ATOM 363 CZ ARG A 736 23.526 -14.638 -0.710 1.00 72.03 C ATOM 364 NH1 ARG A 736 22.577 -14.146 -1.522 1.00 70.13 N ATOM 365 NH2 ARG A 736 24.263 -15.668 -1.103 1.00 23.45 N ATOM 0 H ARG A 736 23.483 -8.372 2.525 1.00 54.44 H new ATOM 0 HA ARG A 736 23.561 -10.550 4.432 1.00 33.22 H new ATOM 0 HB2 ARG A 736 22.384 -10.644 2.247 1.00 24.13 H new ATOM 0 HB3 ARG A 736 23.903 -10.380 1.413 1.00 24.13 H new ATOM 0 HG2 ARG A 736 24.752 -12.536 2.233 1.00 3.00 H new ATOM 0 HG3 ARG A 736 23.268 -12.798 3.127 1.00 3.00 H new ATOM 0 HD2 ARG A 736 21.992 -13.145 1.206 1.00 0.13 H new ATOM 0 HD3 ARG A 736 23.028 -12.148 0.204 1.00 0.13 H new ATOM 0 HE ARG A 736 24.381 -14.559 1.129 1.00 3.42 H new ATOM 0 HH11 ARG A 736 22.000 -13.363 -1.216 1.00 70.13 H new ATOM 0 HH12 ARG A 736 22.433 -14.555 -2.445 1.00 70.13 H new ATOM 0 HH21 ARG A 736 24.975 -16.052 -0.482 1.00 23.45 H new ATOM 0 HH22 ARG A 736 24.118 -16.076 -2.027 1.00 23.45 H new ATOM 379 N ALA A 737 26.289 -9.212 3.519 1.00 73.13 N ATOM 380 CA ALA A 737 27.733 -9.264 3.668 1.00 71.15 C ATOM 381 C ALA A 737 28.125 -9.381 5.124 1.00 14.20 C ATOM 382 O ALA A 737 29.235 -9.784 5.446 1.00 43.23 O ATOM 383 CB ALA A 737 28.362 -8.031 3.088 1.00 55.04 C ATOM 0 H ALA A 737 25.918 -8.288 3.300 1.00 73.13 H new ATOM 0 HA ALA A 737 28.089 -10.144 3.133 1.00 71.15 H new ATOM 0 HB1 ALA A 737 29.444 -8.084 3.207 1.00 55.04 H new ATOM 0 HB2 ALA A 737 28.116 -7.961 2.028 1.00 55.04 H new ATOM 0 HB3 ALA A 737 27.983 -7.151 3.607 1.00 55.04 H new ATOM 389 N LYS A 738 27.211 -9.033 5.996 1.00 3.04 N ATOM 390 CA LYS A 738 27.489 -8.959 7.410 1.00 1.15 C ATOM 391 C LYS A 738 26.431 -9.681 8.213 1.00 50.41 C ATOM 392 O LYS A 738 26.722 -10.290 9.226 1.00 4.03 O ATOM 393 CB LYS A 738 27.577 -7.481 7.854 1.00 10.41 C ATOM 394 CG LYS A 738 28.772 -6.682 7.282 1.00 1.41 C ATOM 395 CD LYS A 738 30.094 -6.965 8.039 1.00 31.24 C ATOM 396 CE LYS A 738 30.698 -8.310 7.670 1.00 53.21 C ATOM 397 NZ LYS A 738 31.961 -8.566 8.389 1.00 51.25 N ATOM 0 H LYS A 738 26.252 -8.793 5.745 1.00 3.04 H new ATOM 0 HA LYS A 738 28.445 -9.448 7.595 1.00 1.15 H new ATOM 0 HB2 LYS A 738 26.654 -6.978 7.565 1.00 10.41 H new ATOM 0 HB3 LYS A 738 27.629 -7.450 8.942 1.00 10.41 H new ATOM 0 HG2 LYS A 738 28.900 -6.931 6.229 1.00 1.41 H new ATOM 0 HG3 LYS A 738 28.549 -5.616 7.333 1.00 1.41 H new ATOM 0 HD2 LYS A 738 30.812 -6.175 7.818 1.00 31.24 H new ATOM 0 HD3 LYS A 738 29.908 -6.936 9.113 1.00 31.24 H new ATOM 0 HE2 LYS A 738 29.985 -9.102 7.897 1.00 53.21 H new ATOM 0 HE3 LYS A 738 30.879 -8.343 6.596 1.00 53.21 H new ATOM 0 HZ1 LYS A 738 32.339 -9.493 8.108 1.00 51.25 H new ATOM 0 HZ2 LYS A 738 32.651 -7.825 8.153 1.00 51.25 H new ATOM 0 HZ3 LYS A 738 31.784 -8.560 9.414 1.00 51.25 H new ATOM 411 N TRP A 739 25.198 -9.614 7.745 1.00 54.31 N ATOM 412 CA TRP A 739 24.067 -10.174 8.470 1.00 1.31 C ATOM 413 C TRP A 739 23.256 -11.064 7.560 1.00 1.41 C ATOM 414 O TRP A 739 22.015 -10.995 7.528 1.00 10.10 O ATOM 415 CB TRP A 739 23.197 -9.038 9.017 1.00 14.24 C ATOM 416 CG TRP A 739 23.983 -8.035 9.795 1.00 23.13 C ATOM 417 CD1 TRP A 739 24.798 -7.076 9.282 1.00 1.14 C ATOM 418 CD2 TRP A 739 24.038 -7.889 11.212 1.00 64.22 C ATOM 419 NE1 TRP A 739 25.386 -6.376 10.272 1.00 50.43 N ATOM 420 CE2 TRP A 739 24.928 -6.832 11.478 1.00 2.41 C ATOM 421 CE3 TRP A 739 23.430 -8.547 12.283 1.00 70.44 C ATOM 422 CZ2 TRP A 739 25.227 -6.417 12.768 1.00 12.13 C ATOM 423 CZ3 TRP A 739 23.724 -8.131 13.567 1.00 5.41 C ATOM 424 CH2 TRP A 739 24.616 -7.077 13.799 1.00 10.31 C ATOM 0 H TRP A 739 24.951 -9.174 6.859 1.00 54.31 H new ATOM 0 HA TRP A 739 24.434 -10.774 9.302 1.00 1.31 H new ATOM 0 HB2 TRP A 739 22.696 -8.538 8.188 1.00 14.24 H new ATOM 0 HB3 TRP A 739 22.418 -9.457 9.654 1.00 14.24 H new ATOM 0 HD1 TRP A 739 24.953 -6.900 8.228 1.00 1.14 H new ATOM 0 HE1 TRP A 739 26.065 -5.626 10.143 1.00 50.43 H new ATOM 0 HE3 TRP A 739 22.745 -9.364 12.111 1.00 70.44 H new ATOM 0 HZ2 TRP A 739 25.915 -5.605 12.951 1.00 12.13 H new ATOM 0 HZ3 TRP A 739 23.258 -8.627 14.406 1.00 5.41 H new ATOM 0 HH2 TRP A 739 24.827 -6.778 14.815 1.00 10.31 H new ATOM 435 N ASP A 740 23.950 -11.889 6.822 1.00 14.41 N ATOM 436 CA ASP A 740 23.343 -12.866 5.921 1.00 52.03 C ATOM 437 C ASP A 740 22.313 -13.755 6.641 1.00 35.31 C ATOM 438 O ASP A 740 21.286 -14.090 6.080 1.00 23.23 O ATOM 439 CB ASP A 740 24.433 -13.741 5.271 1.00 71.25 C ATOM 440 CG ASP A 740 25.177 -14.620 6.260 1.00 22.30 C ATOM 441 OD1 ASP A 740 26.001 -14.089 7.036 1.00 55.43 O ATOM 442 OD2 ASP A 740 24.945 -15.853 6.268 1.00 52.30 O ATOM 0 H ASP A 740 24.970 -11.911 6.821 1.00 14.41 H new ATOM 0 HA ASP A 740 22.814 -12.310 5.147 1.00 52.03 H new ATOM 0 HB2 ASP A 740 23.974 -14.372 4.510 1.00 71.25 H new ATOM 0 HB3 ASP A 740 25.149 -13.096 4.761 1.00 71.25 H new ATOM 447 N THR A 741 22.591 -14.107 7.881 1.00 61.31 N ATOM 448 CA THR A 741 21.703 -14.975 8.638 1.00 14.10 C ATOM 449 C THR A 741 20.481 -14.183 9.178 1.00 63.33 C ATOM 450 O THR A 741 19.478 -14.772 9.628 1.00 22.14 O ATOM 451 CB THR A 741 22.463 -15.690 9.827 1.00 72.52 C ATOM 452 OG1 THR A 741 21.683 -16.798 10.327 1.00 74.45 O ATOM 453 CG2 THR A 741 22.738 -14.713 10.974 1.00 51.22 C ATOM 0 H THR A 741 23.424 -13.807 8.388 1.00 61.31 H new ATOM 0 HA THR A 741 21.345 -15.746 7.956 1.00 14.10 H new ATOM 0 HB THR A 741 23.414 -16.055 9.439 1.00 72.52 H new ATOM 0 HG1 THR A 741 20.734 -16.552 10.337 1.00 74.45 H new ATOM 0 HG21 THR A 741 23.261 -15.232 11.777 1.00 51.22 H new ATOM 0 HG22 THR A 741 23.355 -13.891 10.611 1.00 51.22 H new ATOM 0 HG23 THR A 741 21.794 -14.320 11.351 1.00 51.22 H new ATOM 461 N ALA A 742 20.570 -12.860 9.118 1.00 73.32 N ATOM 462 CA ALA A 742 19.541 -11.999 9.691 1.00 64.42 C ATOM 463 C ALA A 742 18.589 -11.468 8.626 1.00 51.31 C ATOM 464 O ALA A 742 17.362 -11.508 8.791 1.00 24.14 O ATOM 465 CB ALA A 742 20.179 -10.848 10.460 1.00 24.30 C ATOM 0 H ALA A 742 21.343 -12.360 8.679 1.00 73.32 H new ATOM 0 HA ALA A 742 18.953 -12.603 10.382 1.00 64.42 H new ATOM 0 HB1 ALA A 742 19.398 -10.215 10.881 1.00 24.30 H new ATOM 0 HB2 ALA A 742 20.797 -11.246 11.265 1.00 24.30 H new ATOM 0 HB3 ALA A 742 20.799 -10.259 9.785 1.00 24.30 H new ATOM 471 N ASN A 743 19.143 -10.976 7.543 1.00 72.31 N ATOM 472 CA ASN A 743 18.331 -10.388 6.467 1.00 60.40 C ATOM 473 C ASN A 743 17.714 -11.454 5.623 1.00 52.43 C ATOM 474 O ASN A 743 16.611 -11.288 5.091 1.00 34.15 O ATOM 475 CB ASN A 743 19.177 -9.475 5.580 1.00 12.23 C ATOM 476 CG ASN A 743 19.734 -8.299 6.313 1.00 4.34 C ATOM 477 OD1 ASN A 743 20.922 -8.438 6.807 1.00 34.41 O flip ATOM 478 ND2 ASN A 743 19.092 -7.258 6.418 1.00 60.12 N flip ATOM 0 H ASN A 743 20.148 -10.964 7.370 1.00 72.31 H new ATOM 0 HA ASN A 743 17.543 -9.800 6.938 1.00 60.40 H new ATOM 0 HB2 ASN A 743 19.998 -10.052 5.153 1.00 12.23 H new ATOM 0 HB3 ASN A 743 18.569 -9.122 4.747 1.00 12.23 H new ATOM 0 HD21 ASN A 743 18.158 -7.192 6.013 1.00 60.12 H new ATOM 0 HD22 ASN A 743 19.492 -6.459 6.910 1.00 60.12 H new ATOM 485 N ASN A 744 18.404 -12.532 5.503 1.00 22.00 N ATOM 486 CA ASN A 744 18.003 -13.597 4.652 1.00 12.33 C ATOM 487 C ASN A 744 17.598 -14.799 5.490 1.00 42.23 C ATOM 488 O ASN A 744 18.400 -15.312 6.276 1.00 3.03 O ATOM 489 CB ASN A 744 19.166 -13.964 3.717 1.00 10.13 C ATOM 490 CG ASN A 744 19.637 -12.781 2.867 1.00 62.45 C ATOM 491 OD1 ASN A 744 20.472 -11.981 3.302 1.00 43.54 O ATOM 492 ND2 ASN A 744 19.130 -12.675 1.673 1.00 21.20 N ATOM 0 H ASN A 744 19.278 -12.702 6.001 1.00 22.00 H new ATOM 0 HA ASN A 744 17.147 -13.287 4.052 1.00 12.33 H new ATOM 0 HB2 ASN A 744 20.001 -14.335 4.311 1.00 10.13 H new ATOM 0 HB3 ASN A 744 18.856 -14.777 3.061 1.00 10.13 H new ATOM 0 HD21 ASN A 744 19.420 -11.912 1.062 1.00 21.20 H new ATOM 0 HD22 ASN A 744 18.443 -13.355 1.349 1.00 21.20 H new ATOM 499 N PRO A 745 16.337 -15.263 5.350 1.00 12.11 N ATOM 500 CA PRO A 745 15.817 -16.406 6.129 1.00 54.21 C ATOM 501 C PRO A 745 16.552 -17.700 5.792 1.00 14.44 C ATOM 502 O PRO A 745 16.681 -18.599 6.628 1.00 3.31 O ATOM 503 CB PRO A 745 14.344 -16.495 5.693 1.00 60.44 C ATOM 504 CG PRO A 745 14.293 -15.805 4.368 1.00 12.22 C ATOM 505 CD PRO A 745 15.323 -14.716 4.426 1.00 73.22 C ATOM 0 HA PRO A 745 15.946 -16.268 7.203 1.00 54.21 H new ATOM 0 HB2 PRO A 745 14.018 -17.532 5.611 1.00 60.44 H new ATOM 0 HB3 PRO A 745 13.688 -16.011 6.416 1.00 60.44 H new ATOM 0 HG2 PRO A 745 14.508 -16.501 3.557 1.00 12.22 H new ATOM 0 HG3 PRO A 745 13.301 -15.394 4.181 1.00 12.22 H new ATOM 0 HD2 PRO A 745 15.745 -14.507 3.443 1.00 73.22 H new ATOM 0 HD3 PRO A 745 14.902 -13.782 4.797 1.00 73.22 H new ATOM 513 N LEU A 746 17.031 -17.773 4.584 1.00 34.52 N ATOM 514 CA LEU A 746 17.777 -18.908 4.101 1.00 35.12 C ATOM 515 C LEU A 746 18.597 -18.475 2.936 1.00 34.41 C ATOM 516 O LEU A 746 19.770 -18.824 2.810 1.00 1.50 O ATOM 517 CB LEU A 746 16.813 -20.036 3.688 1.00 61.01 C ATOM 518 CG LEU A 746 17.444 -21.306 3.112 1.00 52.14 C ATOM 519 CD1 LEU A 746 18.416 -21.925 4.106 1.00 13.21 C ATOM 520 CD2 LEU A 746 16.365 -22.307 2.739 1.00 70.31 C ATOM 0 H LEU A 746 16.914 -17.034 3.891 1.00 34.52 H new ATOM 0 HA LEU A 746 18.429 -19.288 4.888 1.00 35.12 H new ATOM 0 HB2 LEU A 746 16.223 -20.315 4.561 1.00 61.01 H new ATOM 0 HB3 LEU A 746 16.119 -19.636 2.949 1.00 61.01 H new ATOM 0 HG LEU A 746 17.999 -21.035 2.214 1.00 52.14 H new ATOM 0 HD11 LEU A 746 18.852 -22.826 3.675 1.00 13.21 H new ATOM 0 HD12 LEU A 746 19.208 -21.211 4.333 1.00 13.21 H new ATOM 0 HD13 LEU A 746 17.885 -22.181 5.023 1.00 13.21 H new ATOM 0 HD21 LEU A 746 16.828 -23.205 2.331 1.00 70.31 H new ATOM 0 HD22 LEU A 746 15.788 -22.567 3.626 1.00 70.31 H new ATOM 0 HD23 LEU A 746 15.704 -21.868 1.992 1.00 70.31 H new ATOM 556 N LYS A 748 16.618 -16.464 -0.043 1.00 25.03 N ATOM 557 CA LYS A 748 15.600 -15.632 -0.472 1.00 14.25 C ATOM 558 C LYS A 748 14.362 -15.975 0.315 1.00 4.25 C ATOM 559 O LYS A 748 14.420 -16.809 1.236 1.00 54.33 O ATOM 560 CB LYS A 748 15.358 -15.914 -1.915 1.00 1.13 C ATOM 561 CG LYS A 748 15.841 -14.853 -2.877 1.00 74.55 C ATOM 562 CD LYS A 748 17.327 -14.555 -2.731 1.00 2.44 C ATOM 563 CE LYS A 748 17.811 -13.666 -3.861 1.00 51.44 C ATOM 564 NZ LYS A 748 19.226 -13.262 -3.704 1.00 34.42 N ATOM 0 HA LYS A 748 15.856 -14.582 -0.332 1.00 14.25 H new ATOM 0 HB2 LYS A 748 15.842 -16.857 -2.169 1.00 1.13 H new ATOM 0 HB3 LYS A 748 14.288 -16.055 -2.065 1.00 1.13 H new ATOM 0 HG2 LYS A 748 15.639 -15.176 -3.898 1.00 74.55 H new ATOM 0 HG3 LYS A 748 15.274 -13.937 -2.714 1.00 74.55 H new ATOM 0 HD2 LYS A 748 17.513 -14.068 -1.774 1.00 2.44 H new ATOM 0 HD3 LYS A 748 17.891 -15.488 -2.729 1.00 2.44 H new ATOM 0 HE2 LYS A 748 17.690 -14.192 -4.808 1.00 51.44 H new ATOM 0 HE3 LYS A 748 17.186 -12.774 -3.909 1.00 51.44 H new ATOM 0 HZ1 LYS A 748 19.724 -13.383 -4.609 1.00 34.42 H new ATOM 0 HZ2 LYS A 748 19.272 -12.264 -3.414 1.00 34.42 H new ATOM 0 HZ3 LYS A 748 19.678 -13.855 -2.979 1.00 34.42 H new ATOM 578 N GLU A 749 13.268 -15.390 -0.031 1.00 72.20 N ATOM 579 CA GLU A 749 12.024 -15.685 0.638 1.00 74.20 C ATOM 580 C GLU A 749 11.371 -16.909 0.008 1.00 61.03 C ATOM 581 O GLU A 749 10.873 -17.805 0.705 1.00 54.03 O ATOM 582 CB GLU A 749 11.075 -14.488 0.578 1.00 60.21 C ATOM 583 CG GLU A 749 9.820 -14.671 1.400 1.00 64.35 C ATOM 584 CD GLU A 749 8.858 -13.529 1.266 1.00 52.13 C ATOM 585 OE1 GLU A 749 9.126 -12.444 1.836 1.00 40.44 O ATOM 586 OE2 GLU A 749 7.820 -13.707 0.610 1.00 14.31 O ATOM 0 H GLU A 749 13.197 -14.698 -0.777 1.00 72.20 H new ATOM 0 HA GLU A 749 12.238 -15.896 1.686 1.00 74.20 H new ATOM 0 HB2 GLU A 749 11.601 -13.599 0.926 1.00 60.21 H new ATOM 0 HB3 GLU A 749 10.797 -14.307 -0.460 1.00 60.21 H new ATOM 0 HG2 GLU A 749 9.325 -15.593 1.096 1.00 64.35 H new ATOM 0 HG3 GLU A 749 10.093 -14.787 2.449 1.00 64.35 H new ATOM 593 N ALA A 750 11.408 -16.962 -1.316 1.00 41.12 N ATOM 594 CA ALA A 750 10.798 -18.056 -2.067 1.00 12.41 C ATOM 595 C ALA A 750 11.605 -19.347 -1.935 1.00 72.20 C ATOM 596 O ALA A 750 11.167 -20.399 -2.359 1.00 0.43 O ATOM 597 CB ALA A 750 10.642 -17.674 -3.525 1.00 54.14 C ATOM 0 H ALA A 750 11.857 -16.255 -1.898 1.00 41.12 H new ATOM 0 HA ALA A 750 9.811 -18.239 -1.643 1.00 12.41 H new ATOM 0 HB1 ALA A 750 10.186 -18.500 -4.071 1.00 54.14 H new ATOM 0 HB2 ALA A 750 10.006 -16.792 -3.604 1.00 54.14 H new ATOM 0 HB3 ALA A 750 11.621 -17.455 -3.950 1.00 54.14 H new ATOM 603 N THR A 751 12.775 -19.246 -1.343 1.00 50.04 N ATOM 604 CA THR A 751 13.644 -20.388 -1.146 1.00 40.15 C ATOM 605 C THR A 751 12.997 -21.422 -0.184 1.00 32.13 C ATOM 606 O THR A 751 13.226 -22.628 -0.303 1.00 13.10 O ATOM 607 CB THR A 751 15.002 -19.937 -0.569 1.00 20.43 C ATOM 608 OG1 THR A 751 15.537 -18.891 -1.385 1.00 52.33 O ATOM 609 CG2 THR A 751 15.981 -21.085 -0.536 1.00 10.33 C ATOM 0 H THR A 751 13.152 -18.369 -0.984 1.00 50.04 H new ATOM 0 HA THR A 751 13.798 -20.858 -2.117 1.00 40.15 H new ATOM 0 HB THR A 751 14.845 -19.582 0.449 1.00 20.43 H new ATOM 0 HG1 THR A 751 15.994 -18.235 -0.818 1.00 52.33 H new ATOM 0 HG21 THR A 751 16.931 -20.742 -0.125 1.00 10.33 H new ATOM 0 HG22 THR A 751 15.583 -21.885 0.089 1.00 10.33 H new ATOM 0 HG23 THR A 751 16.137 -21.459 -1.548 1.00 10.33 H new ATOM 617 N SER A 752 12.197 -20.934 0.743 1.00 54.11 N ATOM 618 CA SER A 752 11.559 -21.792 1.716 1.00 55.51 C ATOM 619 C SER A 752 10.253 -22.395 1.157 1.00 32.33 C ATOM 620 O SER A 752 9.857 -23.516 1.525 1.00 33.21 O ATOM 621 CB SER A 752 11.274 -21.002 3.010 1.00 15.43 C ATOM 622 OG SER A 752 10.767 -21.847 4.035 1.00 41.31 O ATOM 0 H SER A 752 11.974 -19.944 0.841 1.00 54.11 H new ATOM 0 HA SER A 752 12.238 -22.615 1.942 1.00 55.51 H new ATOM 0 HB2 SER A 752 12.190 -20.521 3.353 1.00 15.43 H new ATOM 0 HB3 SER A 752 10.556 -20.209 2.803 1.00 15.43 H new ATOM 0 HG SER A 752 10.598 -21.317 4.842 1.00 41.31 H new ATOM 628 N THR A 753 9.605 -21.667 0.282 1.00 22.23 N ATOM 629 CA THR A 753 8.329 -22.070 -0.248 1.00 2.01 C ATOM 630 C THR A 753 8.462 -22.885 -1.539 1.00 63.33 C ATOM 631 O THR A 753 7.744 -23.876 -1.739 1.00 25.51 O ATOM 632 CB THR A 753 7.444 -20.855 -0.498 1.00 2.15 C ATOM 633 OG1 THR A 753 8.265 -19.760 -0.959 1.00 11.23 O ATOM 634 CG2 THR A 753 6.719 -20.451 0.774 1.00 34.30 C ATOM 0 H THR A 753 9.948 -20.778 -0.082 1.00 22.23 H new ATOM 0 HA THR A 753 7.867 -22.712 0.503 1.00 2.01 H new ATOM 0 HB THR A 753 6.700 -21.106 -1.254 1.00 2.15 H new ATOM 0 HG1 THR A 753 8.236 -19.719 -1.938 1.00 11.23 H new ATOM 0 HG21 THR A 753 6.092 -19.582 0.575 1.00 34.30 H new ATOM 0 HG22 THR A 753 6.096 -21.277 1.116 1.00 34.30 H new ATOM 0 HG23 THR A 753 7.448 -20.204 1.545 1.00 34.30 H new ATOM 642 N PHE A 754 9.365 -22.480 -2.399 1.00 32.03 N ATOM 643 CA PHE A 754 9.507 -23.115 -3.685 1.00 10.43 C ATOM 644 C PHE A 754 10.860 -23.710 -3.858 1.00 13.12 C ATOM 645 O PHE A 754 11.770 -23.484 -3.048 1.00 63.42 O ATOM 646 CB PHE A 754 9.216 -22.132 -4.808 1.00 74.30 C ATOM 647 CG PHE A 754 7.857 -21.553 -4.733 1.00 70.04 C ATOM 648 CD1 PHE A 754 6.749 -22.345 -4.948 1.00 30.04 C ATOM 649 CD2 PHE A 754 7.678 -20.224 -4.428 1.00 52.05 C ATOM 650 CE1 PHE A 754 5.480 -21.820 -4.864 1.00 62.21 C ATOM 651 CE2 PHE A 754 6.416 -19.687 -4.340 1.00 34.44 C ATOM 652 CZ PHE A 754 5.312 -20.488 -4.560 1.00 51.22 C ATOM 0 H PHE A 754 10.014 -21.711 -2.230 1.00 32.03 H new ATOM 0 HA PHE A 754 8.778 -23.924 -3.729 1.00 10.43 H new ATOM 0 HB2 PHE A 754 9.950 -21.327 -4.778 1.00 74.30 H new ATOM 0 HB3 PHE A 754 9.337 -22.638 -5.766 1.00 74.30 H new ATOM 0 HD1 PHE A 754 6.879 -23.391 -5.185 1.00 30.04 H new ATOM 0 HD2 PHE A 754 8.539 -19.595 -4.256 1.00 52.05 H new ATOM 0 HE1 PHE A 754 4.620 -22.450 -5.036 1.00 62.21 H new ATOM 0 HE2 PHE A 754 6.288 -18.642 -4.100 1.00 34.44 H new ATOM 0 HZ PHE A 754 4.319 -20.070 -4.494 1.00 51.22 H new ATOM 662 N THR A 755 11.006 -24.459 -4.896 1.00 45.13 N ATOM 663 CA THR A 755 12.219 -25.118 -5.178 1.00 32.44 C ATOM 664 C THR A 755 13.144 -24.225 -5.994 1.00 32.41 C ATOM 665 O THR A 755 14.277 -23.953 -5.587 1.00 72.53 O ATOM 666 CB THR A 755 11.956 -26.446 -5.910 1.00 42.12 C ATOM 667 OG1 THR A 755 10.972 -26.233 -6.944 1.00 73.05 O ATOM 668 CG2 THR A 755 11.425 -27.484 -4.937 1.00 72.32 C ATOM 0 H THR A 755 10.269 -24.629 -5.580 1.00 45.13 H new ATOM 0 HA THR A 755 12.714 -25.341 -4.233 1.00 32.44 H new ATOM 0 HB THR A 755 12.891 -26.801 -6.344 1.00 42.12 H new ATOM 0 HG1 THR A 755 10.803 -27.076 -7.414 1.00 73.05 H new ATOM 0 HG21 THR A 755 11.243 -28.419 -5.466 1.00 72.32 H new ATOM 0 HG22 THR A 755 12.158 -27.651 -4.147 1.00 72.32 H new ATOM 0 HG23 THR A 755 10.493 -27.128 -4.498 1.00 72.32 H new ATOM 676 N ASN A 756 12.645 -23.741 -7.129 1.00 2.42 N ATOM 677 CA ASN A 756 13.413 -22.860 -8.002 1.00 42.31 C ATOM 678 C ASN A 756 12.569 -22.369 -9.149 1.00 34.30 C ATOM 679 O ASN A 756 12.185 -23.144 -10.032 1.00 54.34 O ATOM 680 CB ASN A 756 14.679 -23.552 -8.537 1.00 64.20 C ATOM 681 CG ASN A 756 15.464 -22.658 -9.474 1.00 33.43 C ATOM 682 OD1 ASN A 756 15.306 -22.725 -10.697 1.00 73.52 O ATOM 683 ND2 ASN A 756 16.293 -21.816 -8.921 1.00 34.22 N ATOM 0 H ASN A 756 11.705 -23.947 -7.467 1.00 2.42 H new ATOM 0 HA ASN A 756 13.723 -22.005 -7.402 1.00 42.31 H new ATOM 0 HB2 ASN A 756 15.313 -23.845 -7.700 1.00 64.20 H new ATOM 0 HB3 ASN A 756 14.398 -24.467 -9.059 1.00 64.20 H new ATOM 0 HD21 ASN A 756 16.840 -21.182 -9.503 1.00 34.22 H new ATOM 0 HD22 ASN A 756 16.394 -21.792 -7.906 1.00 34.22 H new ATOM 690 N ILE A 757 12.265 -21.099 -9.131 1.00 71.24 N ATOM 691 CA ILE A 757 11.485 -20.480 -10.185 1.00 15.01 C ATOM 692 C ILE A 757 12.405 -19.611 -11.051 1.00 50.30 C ATOM 693 O ILE A 757 13.576 -19.410 -10.706 1.00 64.32 O ATOM 694 CB ILE A 757 10.327 -19.568 -9.600 1.00 14.34 C ATOM 695 CG1 ILE A 757 9.857 -20.069 -8.217 1.00 43.42 C ATOM 696 CG2 ILE A 757 9.152 -19.517 -10.559 1.00 34.22 C ATOM 697 CD1 ILE A 757 10.616 -19.465 -7.053 1.00 12.44 C ATOM 0 H ILE A 757 12.548 -20.459 -8.389 1.00 71.24 H new ATOM 0 HA ILE A 757 11.031 -21.276 -10.776 1.00 15.01 H new ATOM 0 HB ILE A 757 10.731 -18.563 -9.478 1.00 14.34 H new ATOM 0 HG12 ILE A 757 8.797 -19.845 -8.102 1.00 43.42 H new ATOM 0 HG13 ILE A 757 9.959 -21.154 -8.181 1.00 43.42 H new ATOM 0 HG21 ILE A 757 8.368 -18.887 -10.140 1.00 34.22 H new ATOM 0 HG22 ILE A 757 9.479 -19.104 -11.513 1.00 34.22 H new ATOM 0 HG23 ILE A 757 8.764 -20.524 -10.713 1.00 34.22 H new ATOM 0 HD11 ILE A 757 10.227 -19.867 -6.117 1.00 12.44 H new ATOM 0 HD12 ILE A 757 11.674 -19.711 -7.142 1.00 12.44 H new ATOM 0 HD13 ILE A 757 10.493 -18.382 -7.061 1.00 12.44 H new ATOM 709 N THR A 758 11.878 -19.093 -12.148 1.00 50.43 N ATOM 710 CA THR A 758 12.622 -18.240 -13.037 1.00 4.41 C ATOM 711 C THR A 758 13.114 -16.974 -12.319 1.00 74.34 C ATOM 712 O THR A 758 14.311 -16.706 -12.256 1.00 51.32 O ATOM 713 CB THR A 758 11.757 -17.840 -14.220 1.00 34.10 C ATOM 714 OG1 THR A 758 10.417 -17.532 -13.754 1.00 73.21 O ATOM 715 CG2 THR A 758 11.705 -18.949 -15.253 1.00 32.42 C ATOM 0 H THR A 758 10.915 -19.258 -12.442 1.00 50.43 H new ATOM 0 HA THR A 758 13.490 -18.801 -13.384 1.00 4.41 H new ATOM 0 HB THR A 758 12.194 -16.959 -14.691 1.00 34.10 H new ATOM 0 HG1 THR A 758 9.858 -17.272 -14.515 1.00 73.21 H new ATOM 0 HG21 THR A 758 11.080 -18.638 -16.090 1.00 32.42 H new ATOM 0 HG22 THR A 758 12.712 -19.160 -15.612 1.00 32.42 H new ATOM 0 HG23 THR A 758 11.286 -19.848 -14.801 1.00 32.42 H new ATOM 723 N TYR A 759 12.180 -16.217 -11.766 1.00 13.24 N ATOM 724 CA TYR A 759 12.517 -15.006 -11.030 1.00 52.42 C ATOM 725 C TYR A 759 12.859 -15.320 -9.608 1.00 4.44 C ATOM 726 O TYR A 759 13.271 -14.438 -8.850 1.00 34.20 O ATOM 727 CB TYR A 759 11.390 -13.988 -11.099 1.00 61.34 C ATOM 728 CG TYR A 759 11.282 -13.299 -12.428 1.00 72.41 C ATOM 729 CD1 TYR A 759 10.535 -13.844 -13.459 1.00 10.45 C ATOM 730 CD2 TYR A 759 11.934 -12.100 -12.656 1.00 40.11 C ATOM 731 CE1 TYR A 759 10.441 -13.213 -14.677 1.00 24.04 C ATOM 732 CE2 TYR A 759 11.844 -11.461 -13.868 1.00 54.15 C ATOM 733 CZ TYR A 759 11.098 -12.019 -14.877 1.00 21.31 C ATOM 734 OH TYR A 759 11.005 -11.379 -16.099 1.00 24.11 O ATOM 0 H TYR A 759 11.181 -16.419 -11.812 1.00 13.24 H new ATOM 0 HA TYR A 759 13.396 -14.567 -11.502 1.00 52.42 H new ATOM 0 HB2 TYR A 759 10.446 -14.488 -10.881 1.00 61.34 H new ATOM 0 HB3 TYR A 759 11.541 -13.239 -10.322 1.00 61.34 H new ATOM 0 HD1 TYR A 759 10.018 -14.779 -13.304 1.00 10.45 H new ATOM 0 HD2 TYR A 759 12.524 -11.659 -11.866 1.00 40.11 H new ATOM 0 HE1 TYR A 759 9.856 -13.651 -15.472 1.00 24.04 H new ATOM 0 HE2 TYR A 759 12.357 -10.524 -14.027 1.00 54.15 H new ATOM 0 HH TYR A 759 11.526 -10.549 -16.074 1.00 24.11 H new ATOM 744 N ARG A 760 12.702 -16.607 -9.248 1.00 43.25 N ATOM 745 CA ARG A 760 12.994 -17.106 -7.924 1.00 55.52 C ATOM 746 C ARG A 760 12.426 -16.172 -6.835 1.00 0.00 C ATOM 747 O ARG A 760 13.160 -15.648 -5.989 1.00 45.14 O ATOM 748 CB ARG A 760 14.486 -17.304 -7.780 1.00 43.20 C ATOM 749 CG ARG A 760 14.916 -18.117 -6.593 1.00 22.20 C ATOM 750 CD ARG A 760 16.395 -18.348 -6.649 1.00 25.54 C ATOM 751 NE ARG A 760 17.136 -17.076 -6.680 1.00 73.54 N ATOM 752 CZ ARG A 760 18.465 -16.953 -6.730 1.00 15.35 C ATOM 753 NH1 ARG A 760 19.253 -18.033 -6.744 1.00 34.45 N ATOM 754 NH2 ARG A 760 19.001 -15.749 -6.759 1.00 43.23 N ATOM 0 H ARG A 760 12.364 -17.325 -9.888 1.00 43.25 H new ATOM 0 HA ARG A 760 12.504 -18.070 -7.788 1.00 55.52 H new ATOM 0 HB2 ARG A 760 14.860 -17.785 -8.684 1.00 43.20 H new ATOM 0 HB3 ARG A 760 14.961 -16.325 -7.720 1.00 43.20 H new ATOM 0 HG2 ARG A 760 14.654 -17.599 -5.671 1.00 22.20 H new ATOM 0 HG3 ARG A 760 14.389 -19.071 -6.583 1.00 22.20 H new ATOM 0 HD2 ARG A 760 16.707 -18.932 -5.783 1.00 25.54 H new ATOM 0 HD3 ARG A 760 16.640 -18.935 -7.534 1.00 25.54 H new ATOM 0 HE ARG A 760 16.588 -16.216 -6.662 1.00 73.54 H new ATOM 0 HH11 ARG A 760 18.841 -18.966 -6.716 1.00 34.45 H new ATOM 0 HH12 ARG A 760 20.266 -17.924 -6.782 1.00 34.45 H new ATOM 0 HH21 ARG A 760 18.402 -14.924 -6.743 1.00 43.23 H new ATOM 0 HH22 ARG A 760 20.015 -15.643 -6.797 1.00 43.23 H new ATOM 768 N GLY A 761 11.135 -15.967 -6.888 1.00 0.13 N ATOM 769 CA GLY A 761 10.488 -15.092 -5.970 1.00 53.40 C ATOM 770 C GLY A 761 9.071 -14.850 -6.367 1.00 51.55 C ATOM 771 O GLY A 761 8.170 -14.841 -5.517 1.00 65.34 O ATOM 0 H GLY A 761 10.513 -16.404 -7.568 1.00 0.13 H new ATOM 0 HA2 GLY A 761 10.520 -15.522 -4.969 1.00 53.40 H new ATOM 0 HA3 GLY A 761 11.024 -14.144 -5.927 1.00 53.40 H new ATOM 775 N THR A 762 8.857 -14.652 -7.654 1.00 64.35 N ATOM 776 CA THR A 762 7.526 -14.456 -8.177 1.00 60.34 C ATOM 777 C THR A 762 6.732 -15.780 -8.141 1.00 51.42 C ATOM 778 O THR A 762 7.288 -16.832 -8.551 1.00 11.53 O ATOM 779 CB THR A 762 7.541 -13.847 -9.637 1.00 1.03 C ATOM 780 OG1 THR A 762 6.208 -13.433 -10.022 1.00 71.44 O ATOM 781 CG2 THR A 762 8.073 -14.854 -10.657 1.00 32.40 C ATOM 782 OXT THR A 762 5.568 -15.761 -7.701 1.00 36.42 O ATOM 0 H THR A 762 9.595 -14.623 -8.357 1.00 64.35 H new ATOM 0 HA THR A 762 7.027 -13.730 -7.535 1.00 60.34 H new ATOM 0 HB THR A 762 8.205 -12.983 -9.625 1.00 1.03 H new ATOM 0 HG1 THR A 762 6.231 -13.057 -10.927 1.00 71.44 H new ATOM 0 HG21 THR A 762 8.070 -14.403 -11.649 1.00 32.40 H new ATOM 0 HG22 THR A 762 9.091 -15.138 -10.391 1.00 32.40 H new ATOM 0 HG23 THR A 762 7.438 -15.740 -10.659 1.00 32.40 H new