USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=14 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 Set 1.1: A 755 THR OG1 : rot -79:sc= 1.1 USER MOD Set 1.2: A 756 ASN : amide:sc= 0.908 K(o=2,f=-1.3) 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=-0.0068) USER MOD Single : A 725 LYS NZ :NH3+ 160:sc= 0.89 (180deg=0.556) USER MOD Single : A 729 LYS NZ :NH3+ 169:sc=-0.00483 (180deg=-0.147) USER MOD Single : A 738 LYS NZ :NH3+ -163:sc= -0.0381 (180deg=-0.295) USER MOD Single : A 741 THR OG1 : rot -24:sc= 0.25 USER MOD Single : A 743 ASN :FLIP amide:sc= -2.22 F(o=-3!,f=-2.2) USER MOD Single : A 744 ASN : amide:sc= -3.26! C(o=-3.3!,f=-7.3!) USER MOD Single : A 748 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0337) USER MOD Single : A 751 THR OG1 : rot 144:sc= -0.769! USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot 180:sc= 0.0504 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 3.499 -5.749 0.610 1.00 25.23 N ATOM 24 CA LEU A 717 4.425 -6.852 0.512 1.00 21.31 C ATOM 25 C LEU A 717 4.466 -7.455 -0.882 1.00 40.14 C ATOM 26 O LEU A 717 5.528 -7.736 -1.396 1.00 41.15 O ATOM 27 CB LEU A 717 4.111 -7.917 1.527 1.00 31.04 C ATOM 28 CG LEU A 717 5.076 -9.089 1.548 1.00 2.45 C ATOM 29 CD1 LEU A 717 6.383 -8.703 2.229 1.00 11.11 C ATOM 30 CD2 LEU A 717 4.451 -10.305 2.198 1.00 42.11 C ATOM 0 HA LEU A 717 5.413 -6.443 0.722 1.00 21.31 H new ATOM 0 HB2 LEU A 717 4.096 -7.461 2.517 1.00 31.04 H new ATOM 0 HB3 LEU A 717 3.107 -8.296 1.335 1.00 31.04 H new ATOM 0 HG LEU A 717 5.304 -9.355 0.516 1.00 2.45 H new ATOM 0 HD11 LEU A 717 7.058 -9.559 2.232 1.00 11.11 H new ATOM 0 HD12 LEU A 717 6.845 -7.878 1.688 1.00 11.11 H new ATOM 0 HD13 LEU A 717 6.182 -8.396 3.255 1.00 11.11 H new ATOM 0 HD21 LEU A 717 5.167 -11.127 2.197 1.00 42.11 H new ATOM 0 HD22 LEU A 717 4.173 -10.066 3.225 1.00 42.11 H new ATOM 0 HD23 LEU A 717 3.562 -10.599 1.641 1.00 42.11 H new ATOM 42 N LEU A 718 3.310 -7.623 -1.492 1.00 65.43 N ATOM 43 CA LEU A 718 3.219 -8.274 -2.823 1.00 4.02 C ATOM 44 C LEU A 718 3.965 -7.476 -3.863 1.00 45.21 C ATOM 45 O LEU A 718 4.412 -8.012 -4.876 1.00 12.44 O ATOM 46 CB LEU A 718 1.750 -8.454 -3.262 1.00 54.45 C ATOM 47 CG LEU A 718 0.911 -9.493 -2.497 1.00 3.02 C ATOM 48 CD1 LEU A 718 0.699 -9.077 -1.056 1.00 3.13 C ATOM 49 CD2 LEU A 718 -0.421 -9.704 -3.191 1.00 3.24 C ATOM 0 H LEU A 718 2.414 -7.326 -1.106 1.00 65.43 H new ATOM 0 HA LEU A 718 3.677 -9.259 -2.734 1.00 4.02 H new ATOM 0 HB2 LEU A 718 1.251 -7.488 -3.178 1.00 54.45 H new ATOM 0 HB3 LEU A 718 1.743 -8.725 -4.318 1.00 54.45 H new ATOM 0 HG LEU A 718 1.460 -10.434 -2.493 1.00 3.02 H new ATOM 0 HD11 LEU A 718 0.103 -9.832 -0.543 1.00 3.13 H new ATOM 0 HD12 LEU A 718 1.665 -8.979 -0.560 1.00 3.13 H new ATOM 0 HD13 LEU A 718 0.177 -8.121 -1.026 1.00 3.13 H new ATOM 0 HD21 LEU A 718 -1.005 -10.441 -2.640 1.00 3.24 H new ATOM 0 HD22 LEU A 718 -0.967 -8.761 -3.226 1.00 3.24 H new ATOM 0 HD23 LEU A 718 -0.250 -10.062 -4.206 1.00 3.24 H new ATOM 61 N ILE A 719 4.097 -6.210 -3.613 1.00 40.02 N ATOM 62 CA ILE A 719 4.792 -5.338 -4.488 1.00 73.52 C ATOM 63 C ILE A 719 6.269 -5.290 -4.109 1.00 32.22 C ATOM 64 O ILE A 719 7.150 -5.251 -4.979 1.00 3.05 O ATOM 65 CB ILE A 719 4.191 -3.905 -4.423 1.00 12.23 C ATOM 66 CG1 ILE A 719 2.673 -3.948 -4.721 1.00 2.24 C ATOM 67 CG2 ILE A 719 4.909 -2.962 -5.396 1.00 31.21 C ATOM 68 CD1 ILE A 719 2.324 -4.451 -6.113 1.00 51.35 C ATOM 0 H ILE A 719 3.718 -5.754 -2.783 1.00 40.02 H new ATOM 0 HA ILE A 719 4.690 -5.716 -5.505 1.00 73.52 H new ATOM 0 HB ILE A 719 4.337 -3.517 -3.415 1.00 12.23 H new ATOM 0 HG12 ILE A 719 2.188 -4.587 -3.984 1.00 2.24 H new ATOM 0 HG13 ILE A 719 2.261 -2.947 -4.595 1.00 2.24 H new ATOM 0 HG21 ILE A 719 4.469 -1.967 -5.330 1.00 31.21 H new ATOM 0 HG22 ILE A 719 5.967 -2.909 -5.137 1.00 31.21 H new ATOM 0 HG23 ILE A 719 4.803 -3.339 -6.413 1.00 31.21 H new ATOM 0 HD11 ILE A 719 1.241 -4.450 -6.240 1.00 51.35 H new ATOM 0 HD12 ILE A 719 2.777 -3.799 -6.860 1.00 51.35 H new ATOM 0 HD13 ILE A 719 2.703 -5.465 -6.239 1.00 51.35 H new ATOM 80 N THR A 720 6.543 -5.333 -2.806 1.00 43.21 N ATOM 81 CA THR A 720 7.889 -5.216 -2.330 1.00 11.23 C ATOM 82 C THR A 720 8.703 -6.471 -2.675 1.00 25.02 C ATOM 83 O THR A 720 9.910 -6.421 -2.760 1.00 61.23 O ATOM 84 CB THR A 720 7.951 -4.915 -0.800 1.00 2.21 C ATOM 85 OG1 THR A 720 9.143 -4.171 -0.486 1.00 14.44 O ATOM 86 CG2 THR A 720 7.946 -6.190 0.004 1.00 31.53 C ATOM 0 H THR A 720 5.841 -5.448 -2.075 1.00 43.21 H new ATOM 0 HA THR A 720 8.335 -4.363 -2.841 1.00 11.23 H new ATOM 0 HB THR A 720 7.069 -4.328 -0.543 1.00 2.21 H new ATOM 0 HG1 THR A 720 9.170 -3.987 0.476 1.00 14.44 H new ATOM 0 HG21 THR A 720 7.990 -5.950 1.066 1.00 31.53 H new ATOM 0 HG22 THR A 720 7.033 -6.748 -0.205 1.00 31.53 H new ATOM 0 HG23 THR A 720 8.811 -6.795 -0.268 1.00 31.53 H new ATOM 94 N ILE A 721 8.007 -7.593 -2.861 1.00 51.41 N ATOM 95 CA ILE A 721 8.632 -8.819 -3.309 1.00 72.23 C ATOM 96 C ILE A 721 9.261 -8.602 -4.659 1.00 24.21 C ATOM 97 O ILE A 721 10.385 -9.020 -4.908 1.00 45.35 O ATOM 98 CB ILE A 721 7.596 -9.974 -3.417 1.00 60.32 C ATOM 99 CG1 ILE A 721 7.024 -10.314 -2.037 1.00 4.33 C ATOM 100 CG2 ILE A 721 8.223 -11.211 -4.067 1.00 24.44 C ATOM 101 CD1 ILE A 721 5.984 -11.410 -2.051 1.00 32.15 C ATOM 0 H ILE A 721 7.002 -7.669 -2.704 1.00 51.41 H new ATOM 0 HA ILE A 721 9.390 -9.096 -2.577 1.00 72.23 H new ATOM 0 HB ILE A 721 6.777 -9.639 -4.054 1.00 60.32 H new ATOM 0 HG12 ILE A 721 7.841 -10.612 -1.381 1.00 4.33 H new ATOM 0 HG13 ILE A 721 6.582 -9.415 -1.607 1.00 4.33 H new ATOM 0 HG21 ILE A 721 7.479 -12.005 -4.131 1.00 24.44 H new ATOM 0 HG22 ILE A 721 8.572 -10.959 -5.068 1.00 24.44 H new ATOM 0 HG23 ILE A 721 9.065 -11.551 -3.464 1.00 24.44 H new ATOM 0 HD11 ILE A 721 5.631 -11.589 -1.036 1.00 32.15 H new ATOM 0 HD12 ILE A 721 5.146 -11.108 -2.679 1.00 32.15 H new ATOM 0 HD13 ILE A 721 6.424 -12.324 -2.449 1.00 32.15 H new ATOM 113 N HIS A 722 8.543 -7.917 -5.517 1.00 14.32 N ATOM 114 CA HIS A 722 9.005 -7.662 -6.847 1.00 53.35 C ATOM 115 C HIS A 722 10.206 -6.762 -6.810 1.00 35.42 C ATOM 116 O HIS A 722 11.216 -7.021 -7.464 1.00 22.33 O ATOM 117 CB HIS A 722 7.910 -7.017 -7.665 1.00 1.02 C ATOM 118 CG HIS A 722 8.012 -7.314 -9.100 1.00 71.12 C ATOM 119 ND1 HIS A 722 8.495 -6.426 -10.034 1.00 21.44 N ATOM 120 CD2 HIS A 722 7.688 -8.413 -9.766 1.00 45.32 C ATOM 121 CE1 HIS A 722 8.455 -6.982 -11.221 1.00 12.04 C ATOM 122 NE2 HIS A 722 7.969 -8.194 -11.087 1.00 44.51 N ATOM 0 H HIS A 722 7.625 -7.525 -5.307 1.00 14.32 H new ATOM 0 HA HIS A 722 9.282 -8.610 -7.309 1.00 53.35 H new ATOM 0 HB2 HIS A 722 6.942 -7.357 -7.298 1.00 1.02 H new ATOM 0 HB3 HIS A 722 7.944 -5.937 -7.520 1.00 1.02 H new ATOM 0 HD2 HIS A 722 7.277 -9.317 -9.343 1.00 45.32 H new ATOM 0 HE1 HIS A 722 8.767 -6.523 -12.147 1.00 12.04 H new ATOM 0 HE2 HIS A 722 7.825 -8.863 -11.844 1.00 44.51 H new ATOM 131 N ASP A 723 10.109 -5.719 -6.027 1.00 63.13 N ATOM 132 CA ASP A 723 11.200 -4.766 -5.898 1.00 35.02 C ATOM 133 C ASP A 723 12.339 -5.319 -5.057 1.00 63.13 C ATOM 134 O ASP A 723 13.413 -4.783 -5.060 1.00 24.34 O ATOM 135 CB ASP A 723 10.722 -3.423 -5.330 1.00 63.14 C ATOM 136 CG ASP A 723 9.925 -2.610 -6.328 1.00 32.41 C ATOM 137 OD1 ASP A 723 10.506 -2.182 -7.361 1.00 74.22 O ATOM 138 OD2 ASP A 723 8.726 -2.376 -6.090 1.00 70.21 O ATOM 0 H ASP A 723 9.287 -5.501 -5.464 1.00 63.13 H new ATOM 0 HA ASP A 723 11.577 -4.592 -6.906 1.00 35.02 H new ATOM 0 HB2 ASP A 723 10.110 -3.605 -4.447 1.00 63.14 H new ATOM 0 HB3 ASP A 723 11.586 -2.844 -5.005 1.00 63.14 H new ATOM 143 N ARG A 724 12.086 -6.392 -4.342 1.00 3.00 N ATOM 144 CA ARG A 724 13.116 -7.029 -3.541 1.00 23.21 C ATOM 145 C ARG A 724 14.253 -7.555 -4.426 1.00 13.42 C ATOM 146 O ARG A 724 15.418 -7.477 -4.069 1.00 41.02 O ATOM 147 CB ARG A 724 12.521 -8.157 -2.715 1.00 45.25 C ATOM 148 CG ARG A 724 13.380 -8.598 -1.561 1.00 1.14 C ATOM 149 CD ARG A 724 12.659 -9.610 -0.719 1.00 44.44 C ATOM 150 NE ARG A 724 13.327 -9.836 0.561 1.00 24.31 N ATOM 151 CZ ARG A 724 12.860 -10.630 1.522 1.00 32.34 C ATOM 152 NH1 ARG A 724 11.755 -11.330 1.330 1.00 42.35 N ATOM 153 NH2 ARG A 724 13.505 -10.733 2.660 1.00 42.41 N ATOM 0 H ARG A 724 11.174 -6.846 -4.297 1.00 3.00 H new ATOM 0 HA ARG A 724 13.532 -6.282 -2.865 1.00 23.21 H new ATOM 0 HB2 ARG A 724 11.552 -7.838 -2.331 1.00 45.25 H new ATOM 0 HB3 ARG A 724 12.340 -9.012 -3.366 1.00 45.25 H new ATOM 0 HG2 ARG A 724 14.310 -9.026 -1.936 1.00 1.14 H new ATOM 0 HG3 ARG A 724 13.649 -7.736 -0.951 1.00 1.14 H new ATOM 0 HD2 ARG A 724 11.639 -9.271 -0.540 1.00 44.44 H new ATOM 0 HD3 ARG A 724 12.591 -10.552 -1.263 1.00 44.44 H new ATOM 0 HE ARG A 724 14.210 -9.353 0.729 1.00 24.31 H new ATOM 0 HH11 ARG A 724 11.257 -11.263 0.443 1.00 42.35 H new ATOM 0 HH12 ARG A 724 11.401 -11.937 2.069 1.00 42.35 H new ATOM 0 HH21 ARG A 724 14.365 -10.205 2.809 1.00 42.41 H new ATOM 0 HH22 ARG A 724 13.147 -11.342 3.396 1.00 42.41 H new ATOM 167 N LYS A 725 13.905 -8.069 -5.570 1.00 71.33 N ATOM 168 CA LYS A 725 14.897 -8.568 -6.499 1.00 14.14 C ATOM 169 C LYS A 725 15.565 -7.431 -7.277 1.00 3.00 C ATOM 170 O LYS A 725 16.780 -7.423 -7.456 1.00 61.00 O ATOM 171 CB LYS A 725 14.294 -9.611 -7.456 1.00 55.55 C ATOM 172 CG LYS A 725 14.441 -11.076 -6.979 1.00 41.15 C ATOM 173 CD LYS A 725 13.764 -11.331 -5.630 1.00 34.20 C ATOM 174 CE LYS A 725 12.253 -11.220 -5.727 1.00 14.33 C ATOM 175 NZ LYS A 725 11.679 -12.205 -6.659 1.00 11.52 N ATOM 0 H LYS A 725 12.940 -8.157 -5.890 1.00 71.33 H new ATOM 0 HA LYS A 725 15.670 -9.062 -5.910 1.00 14.14 H new ATOM 0 HB2 LYS A 725 13.235 -9.391 -7.594 1.00 55.55 H new ATOM 0 HB3 LYS A 725 14.770 -9.510 -8.431 1.00 55.55 H new ATOM 0 HG2 LYS A 725 14.012 -11.742 -7.728 1.00 41.15 H new ATOM 0 HG3 LYS A 725 15.500 -11.324 -6.902 1.00 41.15 H new ATOM 0 HD2 LYS A 725 14.033 -12.324 -5.270 1.00 34.20 H new ATOM 0 HD3 LYS A 725 14.135 -10.615 -4.896 1.00 34.20 H new ATOM 0 HE2 LYS A 725 11.816 -11.361 -4.738 1.00 14.33 H new ATOM 0 HE3 LYS A 725 11.985 -10.215 -6.053 1.00 14.33 H new ATOM 0 HZ1 LYS A 725 10.668 -12.331 -6.452 1.00 11.52 H new ATOM 0 HZ2 LYS A 725 11.793 -11.866 -7.636 1.00 11.52 H new ATOM 0 HZ3 LYS A 725 12.171 -13.115 -6.549 1.00 11.52 H new ATOM 189 N GLU A 726 14.768 -6.491 -7.741 1.00 51.45 N ATOM 190 CA GLU A 726 15.288 -5.362 -8.508 1.00 2.55 C ATOM 191 C GLU A 726 15.971 -4.301 -7.594 1.00 51.50 C ATOM 192 O GLU A 726 17.178 -4.071 -7.684 1.00 23.44 O ATOM 193 CB GLU A 726 14.167 -4.720 -9.336 1.00 73.24 C ATOM 194 CG GLU A 726 14.631 -3.604 -10.264 1.00 24.34 C ATOM 195 CD GLU A 726 15.650 -4.068 -11.274 1.00 50.31 C ATOM 196 OE1 GLU A 726 15.252 -4.614 -12.313 1.00 31.42 O ATOM 197 OE2 GLU A 726 16.860 -3.878 -11.037 1.00 21.15 O ATOM 0 H GLU A 726 13.757 -6.480 -7.604 1.00 51.45 H new ATOM 0 HA GLU A 726 16.053 -5.747 -9.183 1.00 2.55 H new ATOM 0 HB2 GLU A 726 13.683 -5.494 -9.932 1.00 73.24 H new ATOM 0 HB3 GLU A 726 13.413 -4.322 -8.657 1.00 73.24 H new ATOM 0 HG2 GLU A 726 13.769 -3.192 -10.788 1.00 24.34 H new ATOM 0 HG3 GLU A 726 15.058 -2.797 -9.669 1.00 24.34 H new ATOM 204 N PHE A 727 15.186 -3.698 -6.715 1.00 72.50 N ATOM 205 CA PHE A 727 15.645 -2.590 -5.872 1.00 14.52 C ATOM 206 C PHE A 727 16.439 -3.093 -4.684 1.00 64.52 C ATOM 207 O PHE A 727 17.583 -2.710 -4.494 1.00 4.31 O ATOM 208 CB PHE A 727 14.422 -1.754 -5.370 1.00 13.53 C ATOM 209 CG PHE A 727 14.776 -0.457 -4.615 1.00 42.21 C ATOM 210 CD1 PHE A 727 15.532 -0.483 -3.437 1.00 50.35 C ATOM 211 CD2 PHE A 727 14.343 0.765 -5.087 1.00 43.24 C ATOM 212 CE1 PHE A 727 15.837 0.674 -2.768 1.00 43.34 C ATOM 213 CE2 PHE A 727 14.648 1.934 -4.412 1.00 21.02 C ATOM 214 CZ PHE A 727 15.394 1.887 -3.253 1.00 22.23 C ATOM 0 H PHE A 727 14.212 -3.958 -6.561 1.00 72.50 H new ATOM 0 HA PHE A 727 16.296 -1.959 -6.477 1.00 14.52 H new ATOM 0 HB2 PHE A 727 13.801 -1.497 -6.228 1.00 13.53 H new ATOM 0 HB3 PHE A 727 13.817 -2.382 -4.716 1.00 13.53 H new ATOM 0 HD1 PHE A 727 15.880 -1.429 -3.049 1.00 50.35 H new ATOM 0 HD2 PHE A 727 13.759 0.810 -5.994 1.00 43.24 H new ATOM 0 HE1 PHE A 727 16.424 0.636 -1.862 1.00 43.34 H new ATOM 0 HE2 PHE A 727 14.302 2.883 -4.793 1.00 21.02 H new ATOM 0 HZ PHE A 727 15.631 2.799 -2.726 1.00 22.23 H new ATOM 224 N ALA A 728 15.818 -3.950 -3.884 1.00 44.15 N ATOM 225 CA ALA A 728 16.390 -4.390 -2.599 1.00 62.43 C ATOM 226 C ALA A 728 17.726 -5.043 -2.764 1.00 60.52 C ATOM 227 O ALA A 728 18.553 -4.979 -1.880 1.00 42.53 O ATOM 228 CB ALA A 728 15.456 -5.308 -1.892 1.00 74.15 C ATOM 0 H ALA A 728 14.910 -4.362 -4.097 1.00 44.15 H new ATOM 0 HA ALA A 728 16.536 -3.493 -1.997 1.00 62.43 H new ATOM 0 HB1 ALA A 728 15.899 -5.620 -0.946 1.00 74.15 H new ATOM 0 HB2 ALA A 728 14.515 -4.792 -1.700 1.00 74.15 H new ATOM 0 HB3 ALA A 728 15.269 -6.185 -2.512 1.00 74.15 H new ATOM 234 N LYS A 729 17.947 -5.667 -3.909 1.00 73.42 N ATOM 235 CA LYS A 729 19.217 -6.326 -4.187 1.00 12.42 C ATOM 236 C LYS A 729 20.399 -5.346 -4.037 1.00 65.12 C ATOM 237 O LYS A 729 21.529 -5.755 -3.781 1.00 24.25 O ATOM 238 CB LYS A 729 19.207 -6.953 -5.565 1.00 24.31 C ATOM 239 CG LYS A 729 20.414 -7.852 -5.852 1.00 43.14 C ATOM 240 CD LYS A 729 20.490 -9.023 -4.865 1.00 42.31 C ATOM 241 CE LYS A 729 19.296 -9.963 -5.011 1.00 22.44 C ATOM 242 NZ LYS A 729 19.290 -10.643 -6.322 1.00 13.24 N ATOM 0 H LYS A 729 17.264 -5.732 -4.664 1.00 73.42 H new ATOM 0 HA LYS A 729 19.349 -7.121 -3.453 1.00 12.42 H new ATOM 0 HB2 LYS A 729 18.295 -7.540 -5.679 1.00 24.31 H new ATOM 0 HB3 LYS A 729 19.172 -6.161 -6.313 1.00 24.31 H new ATOM 0 HG2 LYS A 729 20.349 -8.236 -6.870 1.00 43.14 H new ATOM 0 HG3 LYS A 729 21.330 -7.264 -5.791 1.00 43.14 H new ATOM 0 HD2 LYS A 729 21.413 -9.579 -5.030 1.00 42.31 H new ATOM 0 HD3 LYS A 729 20.528 -8.638 -3.846 1.00 42.31 H new ATOM 0 HE2 LYS A 729 19.320 -10.708 -4.215 1.00 22.44 H new ATOM 0 HE3 LYS A 729 18.372 -9.398 -4.890 1.00 22.44 H new ATOM 0 HZ1 LYS A 729 18.581 -11.404 -6.315 1.00 13.24 H new ATOM 0 HZ2 LYS A 729 19.055 -9.957 -7.068 1.00 13.24 H new ATOM 0 HZ3 LYS A 729 20.230 -11.048 -6.507 1.00 13.24 H new ATOM 256 N PHE A 730 20.109 -4.062 -4.176 1.00 71.32 N ATOM 257 CA PHE A 730 21.066 -3.030 -3.971 1.00 34.05 C ATOM 258 C PHE A 730 21.630 -3.097 -2.579 1.00 44.54 C ATOM 259 O PHE A 730 22.856 -3.181 -2.391 1.00 5.23 O ATOM 260 CB PHE A 730 20.414 -1.702 -4.185 1.00 10.53 C ATOM 261 CG PHE A 730 20.580 -1.157 -5.536 1.00 1.00 C ATOM 262 CD1 PHE A 730 19.882 -1.688 -6.591 1.00 73.01 C ATOM 263 CD2 PHE A 730 21.440 -0.108 -5.764 1.00 2.23 C ATOM 264 CE1 PHE A 730 20.032 -1.182 -7.861 1.00 22.42 C ATOM 265 CE2 PHE A 730 21.600 0.409 -7.030 1.00 71.02 C ATOM 266 CZ PHE A 730 20.895 -0.130 -8.082 1.00 73.25 C ATOM 0 H PHE A 730 19.184 -3.721 -4.439 1.00 71.32 H new ATOM 0 HA PHE A 730 21.882 -3.162 -4.681 1.00 34.05 H new ATOM 0 HB2 PHE A 730 19.349 -1.795 -3.972 1.00 10.53 H new ATOM 0 HB3 PHE A 730 20.822 -0.991 -3.467 1.00 10.53 H new ATOM 0 HD1 PHE A 730 19.206 -2.514 -6.422 1.00 73.01 H new ATOM 0 HD2 PHE A 730 21.996 0.315 -4.940 1.00 2.23 H new ATOM 0 HE1 PHE A 730 19.475 -1.608 -8.683 1.00 22.42 H new ATOM 0 HE2 PHE A 730 22.276 1.234 -7.197 1.00 71.02 H new ATOM 0 HZ PHE A 730 21.018 0.270 -9.078 1.00 73.25 H new ATOM 276 N GLU A 731 20.759 -3.060 -1.599 1.00 12.41 N ATOM 277 CA GLU A 731 21.179 -3.167 -0.245 1.00 53.01 C ATOM 278 C GLU A 731 21.626 -4.595 0.053 1.00 21.11 C ATOM 279 O GLU A 731 22.511 -4.808 0.842 1.00 21.42 O ATOM 280 CB GLU A 731 20.069 -2.722 0.729 1.00 43.13 C ATOM 281 CG GLU A 731 18.909 -3.688 0.847 1.00 0.45 C ATOM 282 CD GLU A 731 17.997 -3.363 1.992 1.00 61.23 C ATOM 283 OE1 GLU A 731 17.100 -2.524 1.823 1.00 32.21 O ATOM 284 OE2 GLU A 731 18.162 -3.955 3.073 1.00 33.05 O ATOM 0 H GLU A 731 19.752 -2.956 -1.727 1.00 12.41 H new ATOM 0 HA GLU A 731 22.026 -2.496 -0.098 1.00 53.01 H new ATOM 0 HB2 GLU A 731 20.507 -2.578 1.717 1.00 43.13 H new ATOM 0 HB3 GLU A 731 19.687 -1.754 0.406 1.00 43.13 H new ATOM 0 HG2 GLU A 731 18.338 -3.678 -0.081 1.00 0.45 H new ATOM 0 HG3 GLU A 731 19.296 -4.699 0.972 1.00 0.45 H new ATOM 291 N GLU A 732 21.003 -5.566 -0.642 1.00 4.22 N ATOM 292 CA GLU A 732 21.285 -7.010 -0.442 1.00 2.44 C ATOM 293 C GLU A 732 22.751 -7.343 -0.646 1.00 71.01 C ATOM 294 O GLU A 732 23.299 -8.171 0.058 1.00 2.12 O ATOM 295 CB GLU A 732 20.436 -7.864 -1.373 1.00 21.21 C ATOM 296 CG GLU A 732 18.971 -7.936 -1.001 1.00 3.24 C ATOM 297 CD GLU A 732 18.732 -8.666 0.288 1.00 53.31 C ATOM 298 OE1 GLU A 732 18.907 -9.899 0.314 1.00 34.33 O ATOM 299 OE2 GLU A 732 18.332 -8.021 1.273 1.00 72.31 O ATOM 0 H GLU A 732 20.296 -5.380 -1.353 1.00 4.22 H new ATOM 0 HA GLU A 732 21.028 -7.236 0.593 1.00 2.44 H new ATOM 0 HB2 GLU A 732 20.521 -7.469 -2.385 1.00 21.21 H new ATOM 0 HB3 GLU A 732 20.843 -8.875 -1.390 1.00 21.21 H new ATOM 0 HG2 GLU A 732 18.572 -6.925 -0.920 1.00 3.24 H new ATOM 0 HG3 GLU A 732 18.422 -8.432 -1.801 1.00 3.24 H new ATOM 306 N GLU A 733 23.377 -6.707 -1.613 1.00 32.00 N ATOM 307 CA GLU A 733 24.794 -6.944 -1.880 1.00 1.52 C ATOM 308 C GLU A 733 25.630 -6.706 -0.624 1.00 44.45 C ATOM 309 O GLU A 733 26.546 -7.455 -0.329 1.00 22.45 O ATOM 310 CB GLU A 733 25.283 -6.066 -3.009 1.00 51.44 C ATOM 311 CG GLU A 733 24.517 -6.258 -4.299 1.00 1.44 C ATOM 312 CD GLU A 733 25.146 -5.551 -5.463 1.00 35.14 C ATOM 313 OE1 GLU A 733 25.089 -4.309 -5.516 1.00 71.22 O ATOM 314 OE2 GLU A 733 25.706 -6.242 -6.348 1.00 11.33 O ATOM 0 H GLU A 733 22.937 -6.024 -2.229 1.00 32.00 H new ATOM 0 HA GLU A 733 24.909 -7.986 -2.179 1.00 1.52 H new ATOM 0 HB2 GLU A 733 25.210 -5.022 -2.704 1.00 51.44 H new ATOM 0 HB3 GLU A 733 26.338 -6.273 -3.188 1.00 51.44 H new ATOM 0 HG2 GLU A 733 24.450 -7.323 -4.521 1.00 1.44 H new ATOM 0 HG3 GLU A 733 23.498 -5.895 -4.168 1.00 1.44 H new ATOM 321 N ARG A 734 25.302 -5.666 0.085 1.00 65.15 N ATOM 322 CA ARG A 734 25.939 -5.347 1.344 1.00 4.11 C ATOM 323 C ARG A 734 25.308 -6.177 2.491 1.00 73.24 C ATOM 324 O ARG A 734 26.003 -6.813 3.274 1.00 22.23 O ATOM 325 CB ARG A 734 25.804 -3.808 1.614 1.00 45.45 C ATOM 326 CG ARG A 734 26.545 -3.270 2.864 1.00 1.53 C ATOM 327 CD ARG A 734 25.786 -3.557 4.154 1.00 2.01 C ATOM 328 NE ARG A 734 24.426 -3.007 4.126 1.00 33.23 N ATOM 329 CZ ARG A 734 23.412 -3.449 4.885 1.00 34.42 C ATOM 330 NH1 ARG A 734 23.626 -4.387 5.814 1.00 30.22 N ATOM 331 NH2 ARG A 734 22.197 -2.933 4.737 1.00 5.44 N ATOM 0 H ARG A 734 24.577 -5.003 -0.191 1.00 65.15 H new ATOM 0 HA ARG A 734 26.998 -5.603 1.297 1.00 4.11 H new ATOM 0 HB2 ARG A 734 26.172 -3.272 0.739 1.00 45.45 H new ATOM 0 HB3 ARG A 734 24.745 -3.568 1.712 1.00 45.45 H new ATOM 0 HG2 ARG A 734 27.535 -3.722 2.919 1.00 1.53 H new ATOM 0 HG3 ARG A 734 26.691 -2.195 2.762 1.00 1.53 H new ATOM 0 HD2 ARG A 734 25.738 -4.634 4.314 1.00 2.01 H new ATOM 0 HD3 ARG A 734 26.331 -3.133 4.997 1.00 2.01 H new ATOM 0 HE ARG A 734 24.239 -2.236 3.485 1.00 33.23 H new ATOM 0 HH11 ARG A 734 24.563 -4.769 5.947 1.00 30.22 H new ATOM 0 HH12 ARG A 734 22.853 -4.721 6.389 1.00 30.22 H new ATOM 0 HH21 ARG A 734 22.035 -2.200 4.046 1.00 5.44 H new ATOM 0 HH22 ARG A 734 21.426 -3.269 5.314 1.00 5.44 H new ATOM 345 N ALA A 735 23.992 -6.166 2.539 1.00 34.51 N ATOM 346 CA ALA A 735 23.218 -6.743 3.651 1.00 25.20 C ATOM 347 C ALA A 735 23.275 -8.250 3.678 1.00 43.22 C ATOM 348 O ALA A 735 23.746 -8.847 4.646 1.00 61.52 O ATOM 349 CB ALA A 735 21.770 -6.276 3.576 1.00 52.11 C ATOM 0 H ALA A 735 23.412 -5.756 1.807 1.00 34.51 H new ATOM 0 HA ALA A 735 23.673 -6.389 4.576 1.00 25.20 H new ATOM 0 HB1 ALA A 735 21.205 -6.708 4.402 1.00 52.11 H new ATOM 0 HB2 ALA A 735 21.735 -5.189 3.641 1.00 52.11 H new ATOM 0 HB3 ALA A 735 21.333 -6.597 2.631 1.00 52.11 H new ATOM 355 N ARG A 736 22.813 -8.860 2.623 1.00 5.12 N ATOM 356 CA ARG A 736 22.721 -10.307 2.534 1.00 34.45 C ATOM 357 C ARG A 736 24.122 -10.949 2.548 1.00 64.01 C ATOM 358 O ARG A 736 24.267 -12.130 2.802 1.00 10.34 O ATOM 359 CB ARG A 736 21.949 -10.700 1.265 1.00 50.33 C ATOM 360 CG ARG A 736 21.677 -12.181 1.112 1.00 14.13 C ATOM 361 CD ARG A 736 20.950 -12.462 -0.192 1.00 71.32 C ATOM 362 NE ARG A 736 20.880 -13.897 -0.491 1.00 70.42 N ATOM 363 CZ ARG A 736 21.421 -14.474 -1.585 1.00 51.20 C ATOM 364 NH1 ARG A 736 22.043 -13.727 -2.504 1.00 73.31 N ATOM 365 NH2 ARG A 736 21.331 -15.787 -1.756 1.00 23.24 N ATOM 0 H ARG A 736 22.485 -8.372 1.790 1.00 5.12 H new ATOM 0 HA ARG A 736 22.180 -10.680 3.404 1.00 34.45 H new ATOM 0 HB2 ARG A 736 20.997 -10.169 1.258 1.00 50.33 H new ATOM 0 HB3 ARG A 736 22.511 -10.358 0.396 1.00 50.33 H new ATOM 0 HG2 ARG A 736 22.617 -12.733 1.136 1.00 14.13 H new ATOM 0 HG3 ARG A 736 21.078 -12.534 1.951 1.00 14.13 H new ATOM 0 HD2 ARG A 736 19.940 -12.054 -0.138 1.00 71.32 H new ATOM 0 HD3 ARG A 736 21.458 -11.947 -1.007 1.00 71.32 H new ATOM 0 HE ARG A 736 20.390 -14.498 0.172 1.00 70.42 H new ATOM 0 HH11 ARG A 736 22.110 -12.717 -2.380 1.00 73.31 H new ATOM 0 HH12 ARG A 736 22.450 -14.168 -3.329 1.00 73.31 H new ATOM 0 HH21 ARG A 736 20.853 -16.360 -1.061 1.00 23.24 H new ATOM 0 HH22 ARG A 736 21.740 -16.223 -2.583 1.00 23.24 H new ATOM 379 N ALA A 737 25.135 -10.146 2.298 1.00 24.11 N ATOM 380 CA ALA A 737 26.516 -10.623 2.311 1.00 21.42 C ATOM 381 C ALA A 737 26.966 -10.979 3.732 1.00 1.42 C ATOM 382 O ALA A 737 27.929 -11.725 3.922 1.00 30.32 O ATOM 383 CB ALA A 737 27.425 -9.573 1.747 1.00 25.14 C ATOM 0 H ALA A 737 25.035 -9.154 2.082 1.00 24.11 H new ATOM 0 HA ALA A 737 26.567 -11.522 1.697 1.00 21.42 H new ATOM 0 HB1 ALA A 737 28.453 -9.936 1.760 1.00 25.14 H new ATOM 0 HB2 ALA A 737 27.132 -9.351 0.721 1.00 25.14 H new ATOM 0 HB3 ALA A 737 27.353 -8.667 2.349 1.00 25.14 H new ATOM 389 N LYS A 738 26.272 -10.442 4.710 1.00 73.32 N ATOM 390 CA LYS A 738 26.636 -10.609 6.104 1.00 40.33 C ATOM 391 C LYS A 738 25.466 -11.133 6.895 1.00 61.40 C ATOM 392 O LYS A 738 25.609 -12.019 7.721 1.00 74.53 O ATOM 393 CB LYS A 738 27.117 -9.265 6.715 1.00 73.43 C ATOM 394 CG LYS A 738 28.509 -8.794 6.288 1.00 34.40 C ATOM 395 CD LYS A 738 28.523 -8.265 4.875 1.00 64.40 C ATOM 396 CE LYS A 738 29.862 -7.663 4.529 1.00 31.40 C ATOM 397 NZ LYS A 738 30.136 -6.434 5.312 1.00 35.33 N ATOM 0 H LYS A 738 25.437 -9.875 4.564 1.00 73.32 H new ATOM 0 HA LYS A 738 27.453 -11.329 6.152 1.00 40.33 H new ATOM 0 HB2 LYS A 738 26.397 -8.491 6.452 1.00 73.43 H new ATOM 0 HB3 LYS A 738 27.104 -9.357 7.801 1.00 73.43 H new ATOM 0 HG2 LYS A 738 28.852 -8.015 6.969 1.00 34.40 H new ATOM 0 HG3 LYS A 738 29.212 -9.623 6.371 1.00 34.40 H new ATOM 0 HD2 LYS A 738 28.294 -9.073 4.180 1.00 64.40 H new ATOM 0 HD3 LYS A 738 27.743 -7.513 4.758 1.00 64.40 H new ATOM 0 HE2 LYS A 738 30.648 -8.395 4.716 1.00 31.40 H new ATOM 0 HE3 LYS A 738 29.891 -7.429 3.465 1.00 31.40 H new ATOM 0 HZ1 LYS A 738 30.904 -5.898 4.859 1.00 35.33 H new ATOM 0 HZ2 LYS A 738 29.278 -5.847 5.348 1.00 35.33 H new ATOM 0 HZ3 LYS A 738 30.418 -6.694 6.279 1.00 35.33 H new ATOM 411 N TRP A 739 24.310 -10.591 6.620 1.00 41.30 N ATOM 412 CA TRP A 739 23.113 -10.890 7.368 1.00 51.11 C ATOM 413 C TRP A 739 22.073 -11.459 6.455 1.00 62.42 C ATOM 414 O TRP A 739 20.909 -11.051 6.476 1.00 74.31 O ATOM 415 CB TRP A 739 22.599 -9.609 8.034 1.00 41.21 C ATOM 416 CG TRP A 739 23.657 -8.923 8.835 1.00 32.23 C ATOM 417 CD1 TRP A 739 24.710 -8.228 8.346 1.00 15.30 C ATOM 418 CD2 TRP A 739 23.767 -8.866 10.255 1.00 23.44 C ATOM 419 NE1 TRP A 739 25.499 -7.792 9.345 1.00 3.14 N ATOM 420 CE2 TRP A 739 24.935 -8.143 10.545 1.00 75.34 C ATOM 421 CE3 TRP A 739 22.998 -9.361 11.309 1.00 54.41 C ATOM 422 CZ2 TRP A 739 25.361 -7.900 11.848 1.00 70.45 C ATOM 423 CZ3 TRP A 739 23.414 -9.116 12.604 1.00 43.44 C ATOM 424 CH2 TRP A 739 24.586 -8.391 12.864 1.00 42.11 C ATOM 0 H TRP A 739 24.169 -9.922 5.863 1.00 41.30 H new ATOM 0 HA TRP A 739 23.336 -11.627 8.140 1.00 51.11 H new ATOM 0 HB2 TRP A 739 22.227 -8.928 7.268 1.00 41.21 H new ATOM 0 HB3 TRP A 739 21.756 -9.852 8.681 1.00 41.21 H new ATOM 0 HD1 TRP A 739 24.892 -8.048 7.297 1.00 15.30 H new ATOM 0 HE1 TRP A 739 26.375 -7.283 9.229 1.00 3.14 H new ATOM 0 HE3 TRP A 739 22.097 -9.924 11.117 1.00 54.41 H new ATOM 0 HZ2 TRP A 739 26.266 -7.346 12.049 1.00 70.45 H new ATOM 0 HZ3 TRP A 739 22.827 -9.489 13.430 1.00 43.44 H new ATOM 0 HH2 TRP A 739 24.883 -8.216 13.887 1.00 42.11 H new ATOM 435 N ASP A 740 22.496 -12.388 5.643 1.00 30.21 N ATOM 436 CA ASP A 740 21.618 -13.107 4.718 1.00 14.13 C ATOM 437 C ASP A 740 20.393 -13.704 5.431 1.00 32.22 C ATOM 438 O ASP A 740 19.304 -13.658 4.917 1.00 52.53 O ATOM 439 CB ASP A 740 22.399 -14.213 3.991 1.00 63.22 C ATOM 440 CG ASP A 740 22.898 -15.301 4.916 1.00 64.51 C ATOM 441 OD1 ASP A 740 23.777 -15.017 5.750 1.00 51.12 O ATOM 442 OD2 ASP A 740 22.414 -16.443 4.810 1.00 54.13 O ATOM 0 H ASP A 740 23.471 -12.682 5.593 1.00 30.21 H new ATOM 0 HA ASP A 740 21.253 -12.384 3.988 1.00 14.13 H new ATOM 0 HB2 ASP A 740 21.760 -14.659 3.229 1.00 63.22 H new ATOM 0 HB3 ASP A 740 23.249 -13.768 3.473 1.00 63.22 H new ATOM 447 N THR A 741 20.595 -14.231 6.623 1.00 1.54 N ATOM 448 CA THR A 741 19.506 -14.853 7.373 1.00 65.13 C ATOM 449 C THR A 741 18.618 -13.795 8.054 1.00 21.42 C ATOM 450 O THR A 741 17.523 -14.102 8.532 1.00 10.24 O ATOM 451 CB THR A 741 20.028 -15.885 8.431 1.00 15.04 C ATOM 452 OG1 THR A 741 18.911 -16.537 9.081 1.00 52.41 O ATOM 453 CG2 THR A 741 20.891 -15.205 9.478 1.00 24.30 C ATOM 0 H THR A 741 21.498 -14.244 7.097 1.00 1.54 H new ATOM 0 HA THR A 741 18.903 -15.399 6.647 1.00 65.13 H new ATOM 0 HB THR A 741 20.633 -16.625 7.907 1.00 15.04 H new ATOM 0 HG1 THR A 741 18.118 -15.965 9.020 1.00 52.41 H new ATOM 0 HG21 THR A 741 21.239 -15.945 10.199 1.00 24.30 H new ATOM 0 HG22 THR A 741 21.749 -14.738 8.995 1.00 24.30 H new ATOM 0 HG23 THR A 741 20.306 -14.444 9.993 1.00 24.30 H new ATOM 461 N ALA A 742 19.100 -12.570 8.099 1.00 30.24 N ATOM 462 CA ALA A 742 18.379 -11.495 8.747 1.00 50.12 C ATOM 463 C ALA A 742 17.556 -10.715 7.744 1.00 40.31 C ATOM 464 O ALA A 742 16.394 -10.398 7.993 1.00 70.01 O ATOM 465 CB ALA A 742 19.342 -10.573 9.473 1.00 51.34 C ATOM 0 H ALA A 742 19.993 -12.294 7.692 1.00 30.24 H new ATOM 0 HA ALA A 742 17.699 -11.934 9.477 1.00 50.12 H new ATOM 0 HB1 ALA A 742 18.784 -9.770 9.955 1.00 51.34 H new ATOM 0 HB2 ALA A 742 19.888 -11.139 10.228 1.00 51.34 H new ATOM 0 HB3 ALA A 742 20.046 -10.147 8.759 1.00 51.34 H new ATOM 471 N ASN A 743 18.154 -10.420 6.609 1.00 51.34 N ATOM 472 CA ASN A 743 17.487 -9.634 5.569 1.00 12.05 C ATOM 473 C ASN A 743 16.634 -10.515 4.680 1.00 11.54 C ATOM 474 O ASN A 743 15.763 -10.026 3.957 1.00 45.25 O ATOM 475 CB ASN A 743 18.514 -8.860 4.712 1.00 51.04 C ATOM 476 CG ASN A 743 19.277 -7.800 5.500 1.00 31.53 C ATOM 477 OD1 ASN A 743 20.407 -8.176 6.047 1.00 63.24 O flip ATOM 478 ND2 ASN A 743 18.849 -6.649 5.603 1.00 12.02 N flip ATOM 0 H ASN A 743 19.103 -10.709 6.374 1.00 51.34 H new ATOM 0 HA ASN A 743 16.839 -8.915 6.071 1.00 12.05 H new ATOM 0 HB2 ASN A 743 19.225 -9.566 4.283 1.00 51.04 H new ATOM 0 HB3 ASN A 743 17.997 -8.383 3.880 1.00 51.04 H new ATOM 0 HD21 ASN A 743 17.965 -6.392 5.164 1.00 12.02 H new ATOM 0 HD22 ASN A 743 19.379 -5.953 6.128 1.00 12.02 H new ATOM 485 N ASN A 744 16.883 -11.803 4.732 1.00 3.01 N ATOM 486 CA ASN A 744 16.155 -12.765 3.923 1.00 12.31 C ATOM 487 C ASN A 744 15.668 -13.925 4.814 1.00 45.50 C ATOM 488 O ASN A 744 16.309 -14.245 5.815 1.00 63.30 O ATOM 489 CB ASN A 744 17.076 -13.310 2.804 1.00 35.24 C ATOM 490 CG ASN A 744 16.338 -14.143 1.791 1.00 23.43 C ATOM 491 OD1 ASN A 744 16.142 -15.333 1.980 1.00 34.13 O ATOM 492 ND2 ASN A 744 15.925 -13.529 0.718 1.00 71.33 N ATOM 0 H ASN A 744 17.594 -12.218 5.334 1.00 3.01 H new ATOM 0 HA ASN A 744 15.293 -12.277 3.468 1.00 12.31 H new ATOM 0 HB2 ASN A 744 17.558 -12.474 2.297 1.00 35.24 H new ATOM 0 HB3 ASN A 744 17.868 -13.910 3.252 1.00 35.24 H new ATOM 0 HD21 ASN A 744 15.418 -14.045 -0.001 1.00 71.33 H new ATOM 0 HD22 ASN A 744 16.109 -12.533 0.598 1.00 71.33 H new ATOM 499 N PRO A 745 14.504 -14.554 4.471 1.00 74.42 N ATOM 500 CA PRO A 745 13.949 -15.694 5.229 1.00 5.22 C ATOM 501 C PRO A 745 14.917 -16.897 5.323 1.00 11.11 C ATOM 502 O PRO A 745 14.919 -17.626 6.334 1.00 14.30 O ATOM 503 CB PRO A 745 12.702 -16.089 4.401 1.00 31.30 C ATOM 504 CG PRO A 745 12.946 -15.483 3.068 1.00 70.03 C ATOM 505 CD PRO A 745 13.628 -14.197 3.346 1.00 63.04 C ATOM 0 HA PRO A 745 13.744 -15.420 6.264 1.00 5.22 H new ATOM 0 HB2 PRO A 745 12.595 -17.172 4.333 1.00 31.30 H new ATOM 0 HB3 PRO A 745 11.786 -15.706 4.852 1.00 31.30 H new ATOM 0 HG2 PRO A 745 13.565 -16.131 2.448 1.00 70.03 H new ATOM 0 HG3 PRO A 745 12.011 -15.325 2.530 1.00 70.03 H new ATOM 0 HD2 PRO A 745 14.194 -13.841 2.485 1.00 63.04 H new ATOM 0 HD3 PRO A 745 12.922 -13.410 3.612 1.00 63.04 H new ATOM 513 N LEU A 746 15.735 -17.109 4.281 1.00 62.13 N ATOM 514 CA LEU A 746 16.616 -18.276 4.247 1.00 42.14 C ATOM 515 C LEU A 746 17.701 -18.137 3.225 1.00 14.44 C ATOM 516 O LEU A 746 18.869 -18.401 3.510 1.00 54.24 O ATOM 517 CB LEU A 746 15.803 -19.561 3.989 1.00 45.33 C ATOM 518 CG LEU A 746 16.612 -20.864 3.842 1.00 10.41 C ATOM 519 CD1 LEU A 746 17.469 -21.113 5.072 1.00 40.32 C ATOM 520 CD2 LEU A 746 15.685 -22.038 3.599 1.00 3.12 C ATOM 0 H LEU A 746 15.802 -16.498 3.467 1.00 62.13 H new ATOM 0 HA LEU A 746 17.094 -18.344 5.224 1.00 42.14 H new ATOM 0 HB2 LEU A 746 15.096 -19.688 4.808 1.00 45.33 H new ATOM 0 HB3 LEU A 746 15.217 -19.418 3.081 1.00 45.33 H new ATOM 0 HG LEU A 746 17.273 -20.757 2.982 1.00 10.41 H new ATOM 0 HD11 LEU A 746 18.030 -22.039 4.943 1.00 40.32 H new ATOM 0 HD12 LEU A 746 18.163 -20.283 5.206 1.00 40.32 H new ATOM 0 HD13 LEU A 746 16.829 -21.196 5.951 1.00 40.32 H new ATOM 0 HD21 LEU A 746 16.272 -22.951 3.497 1.00 3.12 H new ATOM 0 HD22 LEU A 746 14.999 -22.140 4.440 1.00 3.12 H new ATOM 0 HD23 LEU A 746 15.116 -21.869 2.685 1.00 3.12 H new ATOM 556 N LYS A 748 16.619 -16.998 -0.507 1.00 21.43 N ATOM 557 CA LYS A 748 15.995 -16.229 -1.487 1.00 43.42 C ATOM 558 C LYS A 748 14.532 -16.019 -1.093 1.00 32.14 C ATOM 559 O LYS A 748 14.061 -16.593 -0.107 1.00 55.31 O ATOM 560 CB LYS A 748 16.053 -16.968 -2.814 1.00 5.02 C ATOM 561 CG LYS A 748 17.447 -17.132 -3.446 1.00 71.24 C ATOM 562 CD LYS A 748 18.214 -15.829 -3.507 1.00 44.45 C ATOM 563 CE LYS A 748 19.080 -15.736 -4.784 1.00 44.54 C ATOM 564 NZ LYS A 748 19.995 -16.905 -4.955 1.00 15.34 N ATOM 0 HA LYS A 748 16.498 -15.266 -1.581 1.00 43.42 H new ATOM 0 HB2 LYS A 748 15.624 -17.960 -2.672 1.00 5.02 H new ATOM 0 HB3 LYS A 748 15.415 -16.443 -3.525 1.00 5.02 H new ATOM 0 HG2 LYS A 748 18.019 -17.860 -2.871 1.00 71.24 H new ATOM 0 HG3 LYS A 748 17.340 -17.534 -4.453 1.00 71.24 H new ATOM 0 HD2 LYS A 748 17.515 -14.993 -3.480 1.00 44.45 H new ATOM 0 HD3 LYS A 748 18.852 -15.740 -2.627 1.00 44.45 H new ATOM 0 HE2 LYS A 748 18.428 -15.662 -5.654 1.00 44.54 H new ATOM 0 HE3 LYS A 748 19.671 -14.821 -4.750 1.00 44.54 H new ATOM 0 HZ1 LYS A 748 20.632 -16.733 -5.759 1.00 15.34 H new ATOM 0 HZ2 LYS A 748 20.557 -17.035 -4.090 1.00 15.34 H new ATOM 0 HZ3 LYS A 748 19.434 -17.762 -5.135 1.00 15.34 H new ATOM 578 N GLU A 749 13.833 -15.222 -1.853 1.00 53.32 N ATOM 579 CA GLU A 749 12.419 -14.933 -1.603 1.00 24.02 C ATOM 580 C GLU A 749 11.550 -16.170 -1.884 1.00 1.04 C ATOM 581 O GLU A 749 10.736 -16.585 -1.050 1.00 10.35 O ATOM 582 CB GLU A 749 11.964 -13.765 -2.491 1.00 51.30 C ATOM 583 CG GLU A 749 10.506 -13.381 -2.323 1.00 51.52 C ATOM 584 CD GLU A 749 10.210 -12.778 -0.974 1.00 11.32 C ATOM 585 OE1 GLU A 749 9.954 -13.531 -0.022 1.00 11.22 O ATOM 586 OE2 GLU A 749 10.234 -11.541 -0.856 1.00 32.21 O ATOM 0 H GLU A 749 14.215 -14.745 -2.670 1.00 53.32 H new ATOM 0 HA GLU A 749 12.302 -14.661 -0.554 1.00 24.02 H new ATOM 0 HB2 GLU A 749 12.584 -12.895 -2.272 1.00 51.30 H new ATOM 0 HB3 GLU A 749 12.140 -14.028 -3.534 1.00 51.30 H new ATOM 0 HG2 GLU A 749 10.231 -12.670 -3.102 1.00 51.52 H new ATOM 0 HG3 GLU A 749 9.884 -14.265 -2.465 1.00 51.52 H new ATOM 593 N ALA A 750 11.748 -16.760 -3.051 1.00 32.54 N ATOM 594 CA ALA A 750 10.950 -17.908 -3.487 1.00 55.34 C ATOM 595 C ALA A 750 11.286 -19.170 -2.700 1.00 72.42 C ATOM 596 O ALA A 750 10.626 -20.178 -2.841 1.00 51.31 O ATOM 597 CB ALA A 750 11.118 -18.146 -4.970 1.00 43.04 C ATOM 0 H ALA A 750 12.458 -16.465 -3.722 1.00 32.54 H new ATOM 0 HA ALA A 750 9.906 -17.668 -3.288 1.00 55.34 H new ATOM 0 HB1 ALA A 750 10.516 -19.003 -5.271 1.00 43.04 H new ATOM 0 HB2 ALA A 750 10.792 -17.263 -5.519 1.00 43.04 H new ATOM 0 HB3 ALA A 750 12.167 -18.344 -5.190 1.00 43.04 H new ATOM 603 N THR A 751 12.320 -19.101 -1.883 1.00 21.31 N ATOM 604 CA THR A 751 12.743 -20.230 -1.078 1.00 20.11 C ATOM 605 C THR A 751 11.641 -20.643 -0.060 1.00 44.20 C ATOM 606 O THR A 751 11.533 -21.815 0.315 1.00 23.44 O ATOM 607 CB THR A 751 14.054 -19.897 -0.317 1.00 45.23 C ATOM 608 OG1 THR A 751 15.049 -19.463 -1.252 1.00 75.21 O ATOM 609 CG2 THR A 751 14.574 -21.106 0.425 1.00 33.34 C ATOM 0 H THR A 751 12.889 -18.263 -1.759 1.00 21.31 H new ATOM 0 HA THR A 751 12.921 -21.066 -1.755 1.00 20.11 H new ATOM 0 HB THR A 751 13.839 -19.109 0.405 1.00 45.23 H new ATOM 0 HG1 THR A 751 15.597 -18.761 -0.844 1.00 75.21 H new ATOM 0 HG21 THR A 751 15.493 -20.844 0.949 1.00 33.34 H new ATOM 0 HG22 THR A 751 13.828 -21.439 1.146 1.00 33.34 H new ATOM 0 HG23 THR A 751 14.777 -21.909 -0.284 1.00 33.34 H new ATOM 617 N SER A 752 10.834 -19.681 0.357 1.00 50.42 N ATOM 618 CA SER A 752 9.799 -19.935 1.338 1.00 21.43 C ATOM 619 C SER A 752 8.547 -20.564 0.697 1.00 31.02 C ATOM 620 O SER A 752 7.932 -21.469 1.269 1.00 1.24 O ATOM 621 CB SER A 752 9.432 -18.649 2.044 1.00 61.32 C ATOM 622 OG SER A 752 10.586 -18.027 2.592 1.00 43.43 O ATOM 0 H SER A 752 10.878 -18.716 0.029 1.00 50.42 H new ATOM 0 HA SER A 752 10.193 -20.649 2.062 1.00 21.43 H new ATOM 0 HB2 SER A 752 8.946 -17.970 1.343 1.00 61.32 H new ATOM 0 HB3 SER A 752 8.714 -18.857 2.837 1.00 61.32 H new ATOM 0 HG SER A 752 10.327 -17.196 3.043 1.00 43.43 H new ATOM 628 N THR A 753 8.190 -20.098 -0.472 1.00 13.40 N ATOM 629 CA THR A 753 6.998 -20.564 -1.144 1.00 24.03 C ATOM 630 C THR A 753 7.282 -21.794 -2.022 1.00 54.21 C ATOM 631 O THR A 753 6.537 -22.789 -1.990 1.00 14.23 O ATOM 632 CB THR A 753 6.398 -19.448 -1.993 1.00 25.25 C ATOM 633 OG1 THR A 753 7.458 -18.770 -2.698 1.00 70.40 O ATOM 634 CG2 THR A 753 5.657 -18.448 -1.117 1.00 2.22 C ATOM 0 H THR A 753 8.712 -19.388 -0.985 1.00 13.40 H new ATOM 0 HA THR A 753 6.284 -20.859 -0.375 1.00 24.03 H new ATOM 0 HB THR A 753 5.692 -19.883 -2.701 1.00 25.25 H new ATOM 0 HG1 THR A 753 7.079 -18.052 -3.247 1.00 70.40 H new ATOM 0 HG21 THR A 753 5.236 -17.660 -1.741 1.00 2.22 H new ATOM 0 HG22 THR A 753 4.854 -18.957 -0.584 1.00 2.22 H new ATOM 0 HG23 THR A 753 6.350 -18.011 -0.398 1.00 2.22 H new ATOM 642 N PHE A 754 8.337 -21.724 -2.778 1.00 60.24 N ATOM 643 CA PHE A 754 8.737 -22.803 -3.647 1.00 43.23 C ATOM 644 C PHE A 754 9.918 -23.533 -3.063 1.00 14.03 C ATOM 645 O PHE A 754 10.368 -23.217 -1.957 1.00 53.22 O ATOM 646 CB PHE A 754 9.093 -22.265 -5.032 1.00 75.14 C ATOM 647 CG PHE A 754 7.914 -21.898 -5.866 1.00 3.53 C ATOM 648 CD1 PHE A 754 7.261 -20.693 -5.684 1.00 23.41 C ATOM 649 CD2 PHE A 754 7.455 -22.763 -6.832 1.00 64.33 C ATOM 650 CE1 PHE A 754 6.168 -20.360 -6.456 1.00 23.44 C ATOM 651 CE2 PHE A 754 6.363 -22.440 -7.610 1.00 50.43 C ATOM 652 CZ PHE A 754 5.717 -21.236 -7.421 1.00 21.35 C ATOM 0 H PHE A 754 8.953 -20.912 -2.813 1.00 60.24 H new ATOM 0 HA PHE A 754 7.902 -23.498 -3.742 1.00 43.23 H new ATOM 0 HB2 PHE A 754 9.729 -21.388 -4.916 1.00 75.14 H new ATOM 0 HB3 PHE A 754 9.679 -23.016 -5.562 1.00 75.14 H new ATOM 0 HD1 PHE A 754 7.611 -20.005 -4.929 1.00 23.41 H new ATOM 0 HD2 PHE A 754 7.956 -23.708 -6.983 1.00 64.33 H new ATOM 0 HE1 PHE A 754 5.666 -19.416 -6.305 1.00 23.44 H new ATOM 0 HE2 PHE A 754 6.014 -23.128 -8.366 1.00 50.43 H new ATOM 0 HZ PHE A 754 4.860 -20.980 -8.027 1.00 21.35 H new ATOM 662 N THR A 755 10.420 -24.496 -3.778 1.00 64.33 N ATOM 663 CA THR A 755 11.564 -25.214 -3.333 1.00 32.14 C ATOM 664 C THR A 755 12.656 -25.273 -4.409 1.00 61.41 C ATOM 665 O THR A 755 13.808 -24.971 -4.137 1.00 41.12 O ATOM 666 CB THR A 755 11.206 -26.664 -2.799 1.00 34.21 C ATOM 667 OG1 THR A 755 12.411 -27.374 -2.417 1.00 14.15 O ATOM 668 CG2 THR A 755 10.442 -27.477 -3.843 1.00 64.34 C ATOM 0 H THR A 755 10.048 -24.800 -4.678 1.00 64.33 H new ATOM 0 HA THR A 755 11.962 -24.655 -2.486 1.00 32.14 H new ATOM 0 HB THR A 755 10.564 -26.540 -1.927 1.00 34.21 H new ATOM 0 HG1 THR A 755 12.855 -27.720 -3.219 1.00 14.15 H new ATOM 0 HG21 THR A 755 10.215 -28.464 -3.440 1.00 64.34 H new ATOM 0 HG22 THR A 755 9.513 -26.965 -4.095 1.00 64.34 H new ATOM 0 HG23 THR A 755 11.052 -27.583 -4.740 1.00 64.34 H new ATOM 676 N ASN A 756 12.284 -25.622 -5.632 1.00 14.23 N ATOM 677 CA ASN A 756 13.276 -25.816 -6.686 1.00 4.42 C ATOM 678 C ASN A 756 12.801 -25.272 -8.014 1.00 75.15 C ATOM 679 O ASN A 756 12.062 -25.937 -8.745 1.00 11.30 O ATOM 680 CB ASN A 756 13.658 -27.311 -6.828 1.00 34.32 C ATOM 681 CG ASN A 756 14.366 -27.865 -5.598 1.00 33.42 C ATOM 682 OD1 ASN A 756 13.725 -28.381 -4.669 1.00 23.12 O ATOM 683 ND2 ASN A 756 15.668 -27.762 -5.577 1.00 5.21 N ATOM 0 H ASN A 756 11.317 -25.775 -5.919 1.00 14.23 H new ATOM 0 HA ASN A 756 14.163 -25.255 -6.391 1.00 4.42 H new ATOM 0 HB2 ASN A 756 12.756 -27.894 -7.015 1.00 34.32 H new ATOM 0 HB3 ASN A 756 14.303 -27.434 -7.698 1.00 34.32 H new ATOM 0 HD21 ASN A 756 16.194 -28.113 -4.777 1.00 5.21 H new ATOM 0 HD22 ASN A 756 16.158 -27.331 -6.361 1.00 5.21 H new ATOM 690 N ILE A 757 13.196 -24.060 -8.312 1.00 65.11 N ATOM 691 CA ILE A 757 12.911 -23.446 -9.599 1.00 32.45 C ATOM 692 C ILE A 757 14.245 -23.050 -10.282 1.00 1.32 C ATOM 693 O ILE A 757 15.305 -23.122 -9.652 1.00 62.55 O ATOM 694 CB ILE A 757 11.983 -22.158 -9.478 1.00 22.32 C ATOM 695 CG1 ILE A 757 11.124 -22.169 -8.192 1.00 32.01 C ATOM 696 CG2 ILE A 757 11.075 -22.048 -10.696 1.00 51.00 C ATOM 697 CD1 ILE A 757 11.860 -21.714 -6.942 1.00 74.10 C ATOM 0 H ILE A 757 13.725 -23.465 -7.674 1.00 65.11 H new ATOM 0 HA ILE A 757 12.369 -24.181 -10.194 1.00 32.45 H new ATOM 0 HB ILE A 757 12.644 -21.293 -9.427 1.00 22.32 H new ATOM 0 HG12 ILE A 757 10.257 -21.526 -8.343 1.00 32.01 H new ATOM 0 HG13 ILE A 757 10.747 -23.179 -8.030 1.00 32.01 H new ATOM 0 HG21 ILE A 757 10.445 -21.163 -10.602 1.00 51.00 H new ATOM 0 HG22 ILE A 757 11.683 -21.966 -11.597 1.00 51.00 H new ATOM 0 HG23 ILE A 757 10.446 -22.936 -10.762 1.00 51.00 H new ATOM 0 HD11 ILE A 757 11.184 -21.752 -6.088 1.00 74.10 H new ATOM 0 HD12 ILE A 757 12.711 -22.371 -6.761 1.00 74.10 H new ATOM 0 HD13 ILE A 757 12.213 -20.692 -7.079 1.00 74.10 H new ATOM 709 N THR A 758 14.176 -22.629 -11.550 1.00 13.22 N ATOM 710 CA THR A 758 15.374 -22.274 -12.341 1.00 33.41 C ATOM 711 C THR A 758 16.294 -21.222 -11.613 1.00 2.24 C ATOM 712 O THR A 758 17.502 -21.432 -11.475 1.00 4.52 O ATOM 713 CB THR A 758 14.982 -21.770 -13.789 1.00 72.45 C ATOM 714 OG1 THR A 758 16.151 -21.429 -14.540 1.00 32.02 O ATOM 715 CG2 THR A 758 14.039 -20.569 -13.731 1.00 30.43 C ATOM 0 H THR A 758 13.299 -22.523 -12.059 1.00 13.22 H new ATOM 0 HA THR A 758 15.956 -23.190 -12.442 1.00 33.41 H new ATOM 0 HB THR A 758 14.462 -22.589 -14.286 1.00 72.45 H new ATOM 0 HG1 THR A 758 15.888 -21.121 -15.433 1.00 32.02 H new ATOM 0 HG21 THR A 758 13.792 -20.251 -14.744 1.00 30.43 H new ATOM 0 HG22 THR A 758 13.126 -20.848 -13.206 1.00 30.43 H new ATOM 0 HG23 THR A 758 14.526 -19.750 -13.202 1.00 30.43 H new ATOM 723 N TYR A 759 15.712 -20.131 -11.151 1.00 31.33 N ATOM 724 CA TYR A 759 16.475 -19.111 -10.453 1.00 50.32 C ATOM 725 C TYR A 759 16.298 -19.231 -8.976 1.00 43.11 C ATOM 726 O TYR A 759 17.139 -18.760 -8.204 1.00 55.05 O ATOM 727 CB TYR A 759 16.100 -17.707 -10.930 1.00 72.43 C ATOM 728 CG TYR A 759 16.498 -17.421 -12.366 1.00 5.04 C ATOM 729 CD1 TYR A 759 17.827 -17.201 -12.706 1.00 2.25 C ATOM 730 CD2 TYR A 759 15.549 -17.375 -13.375 1.00 22.01 C ATOM 731 CE1 TYR A 759 18.196 -16.942 -14.009 1.00 35.13 C ATOM 732 CE2 TYR A 759 15.911 -17.117 -14.685 1.00 74.32 C ATOM 733 CZ TYR A 759 17.237 -16.900 -14.995 1.00 4.30 C ATOM 734 OH TYR A 759 17.605 -16.642 -16.307 1.00 25.13 O ATOM 0 H TYR A 759 14.717 -19.928 -11.245 1.00 31.33 H new ATOM 0 HA TYR A 759 17.528 -19.271 -10.687 1.00 50.32 H new ATOM 0 HB2 TYR A 759 15.023 -17.575 -10.828 1.00 72.43 H new ATOM 0 HB3 TYR A 759 16.574 -16.973 -10.278 1.00 72.43 H new ATOM 0 HD1 TYR A 759 18.584 -17.233 -11.936 1.00 2.25 H new ATOM 0 HD2 TYR A 759 14.510 -17.543 -13.135 1.00 22.01 H new ATOM 0 HE1 TYR A 759 19.234 -16.773 -14.255 1.00 35.13 H new ATOM 0 HE2 TYR A 759 15.160 -17.086 -15.460 1.00 74.32 H new ATOM 0 HH TYR A 759 16.808 -16.649 -16.878 1.00 25.13 H new ATOM 744 N ARG A 760 15.196 -19.892 -8.576 1.00 54.02 N ATOM 745 CA ARG A 760 14.846 -20.088 -7.187 1.00 1.23 C ATOM 746 C ARG A 760 14.977 -18.794 -6.401 1.00 43.41 C ATOM 747 O ARG A 760 15.898 -18.625 -5.620 1.00 60.01 O ATOM 748 CB ARG A 760 15.695 -21.186 -6.575 1.00 2.34 C ATOM 749 CG ARG A 760 15.262 -21.620 -5.203 1.00 51.42 C ATOM 750 CD ARG A 760 16.195 -22.649 -4.672 1.00 22.11 C ATOM 751 NE ARG A 760 15.778 -23.151 -3.359 1.00 32.32 N ATOM 752 CZ ARG A 760 16.580 -23.252 -2.289 1.00 71.41 C ATOM 753 NH1 ARG A 760 17.867 -22.905 -2.378 1.00 25.22 N ATOM 754 NH2 ARG A 760 16.092 -23.707 -1.136 1.00 31.32 N ATOM 0 H ARG A 760 14.527 -20.303 -9.227 1.00 54.02 H new ATOM 0 HA ARG A 760 13.802 -20.397 -7.140 1.00 1.23 H new ATOM 0 HB2 ARG A 760 15.679 -22.051 -7.237 1.00 2.34 H new ATOM 0 HB3 ARG A 760 16.728 -20.843 -6.524 1.00 2.34 H new ATOM 0 HG2 ARG A 760 15.237 -20.761 -4.533 1.00 51.42 H new ATOM 0 HG3 ARG A 760 14.250 -22.022 -5.243 1.00 51.42 H new ATOM 0 HD2 ARG A 760 16.254 -23.480 -5.375 1.00 22.11 H new ATOM 0 HD3 ARG A 760 17.196 -22.224 -4.595 1.00 22.11 H new ATOM 0 HE ARG A 760 14.807 -23.445 -3.252 1.00 32.32 H new ATOM 0 HH11 ARG A 760 18.243 -22.562 -3.262 1.00 25.22 H new ATOM 0 HH12 ARG A 760 18.474 -22.983 -1.562 1.00 25.22 H new ATOM 0 HH21 ARG A 760 15.111 -23.977 -1.069 1.00 31.32 H new ATOM 0 HH22 ARG A 760 16.700 -23.785 -0.320 1.00 31.32 H new ATOM 768 N GLY A 761 14.079 -17.893 -6.637 1.00 15.20 N ATOM 769 CA GLY A 761 14.147 -16.613 -6.000 1.00 61.11 C ATOM 770 C GLY A 761 13.404 -15.581 -6.771 1.00 52.25 C ATOM 771 O GLY A 761 12.759 -14.703 -6.186 1.00 20.33 O ATOM 0 H GLY A 761 13.287 -18.018 -7.267 1.00 15.20 H new ATOM 0 HA2 GLY A 761 13.735 -16.684 -4.993 1.00 61.11 H new ATOM 0 HA3 GLY A 761 15.189 -16.311 -5.897 1.00 61.11 H new ATOM 775 N THR A 762 13.485 -15.668 -8.095 1.00 52.45 N ATOM 776 CA THR A 762 12.738 -14.780 -8.949 1.00 44.20 C ATOM 777 C THR A 762 11.225 -14.985 -8.749 1.00 21.24 C ATOM 778 O THR A 762 10.753 -16.132 -8.894 1.00 23.21 O ATOM 779 CB THR A 762 13.122 -14.930 -10.467 1.00 12.01 C ATOM 780 OG1 THR A 762 12.334 -14.029 -11.265 1.00 75.24 O ATOM 781 CG2 THR A 762 12.909 -16.356 -10.955 1.00 51.45 C ATOM 782 OXT THR A 762 10.529 -14.005 -8.434 1.00 36.02 O ATOM 0 H THR A 762 14.063 -16.347 -8.590 1.00 52.45 H new ATOM 0 HA THR A 762 13.003 -13.764 -8.657 1.00 44.20 H new ATOM 0 HB THR A 762 14.179 -14.686 -10.569 1.00 12.01 H new ATOM 0 HG1 THR A 762 12.580 -14.127 -12.209 1.00 75.24 H new ATOM 0 HG21 THR A 762 13.184 -16.425 -12.008 1.00 51.45 H new ATOM 0 HG22 THR A 762 13.530 -17.037 -10.372 1.00 51.45 H new ATOM 0 HG23 THR A 762 11.861 -16.629 -10.835 1.00 51.45 H new