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 -40:sc= 0.0122 USER MOD Single : A 722 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 725 LYS NZ :NH3+ -139:sc= 0.322 (180deg=-0.0651) USER MOD Single : A 729 LYS NZ :NH3+ -145:sc= 0.226 (180deg=-0.531) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -30:sc= 0.0636 USER MOD Single : A 743 ASN : amide:sc= 0.0545 X(o=0.055,f=-0.11) USER MOD Single : A 744 ASN :FLIP amide:sc= -0.0472 F(o=-3.1!,f=-0.047) USER MOD Single : A 748 LYS NZ :NH3+ -172:sc= 1.05 (180deg=0.667) USER MOD Single : A 751 THR OG1 : rot -135:sc= 1.26 USER MOD Single : A 752 SER OG : rot -120:sc= 0 USER MOD Single : A 753 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 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 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 3.963 -8.489 -0.532 1.00 73.44 N ATOM 24 CA LEU A 717 5.119 -9.319 -0.815 1.00 50.21 C ATOM 25 C LEU A 717 5.148 -9.802 -2.260 1.00 20.23 C ATOM 26 O LEU A 717 6.209 -9.886 -2.866 1.00 43.51 O ATOM 27 CB LEU A 717 5.169 -10.498 0.120 1.00 1.05 C ATOM 28 CG LEU A 717 6.375 -11.394 -0.040 1.00 52.00 C ATOM 29 CD1 LEU A 717 7.614 -10.742 0.551 1.00 34.40 C ATOM 30 CD2 LEU A 717 6.127 -12.758 0.563 1.00 41.13 C ATOM 0 HA LEU A 717 5.999 -8.695 -0.659 1.00 50.21 H new ATOM 0 HB2 LEU A 717 5.143 -10.130 1.146 1.00 1.05 H new ATOM 0 HB3 LEU A 717 4.270 -11.096 -0.026 1.00 1.05 H new ATOM 0 HG LEU A 717 6.550 -11.537 -1.106 1.00 52.00 H new ATOM 0 HD11 LEU A 717 8.470 -11.405 0.424 1.00 34.40 H new ATOM 0 HD12 LEU A 717 7.807 -9.799 0.040 1.00 34.40 H new ATOM 0 HD13 LEU A 717 7.455 -10.554 1.613 1.00 34.40 H new ATOM 0 HD21 LEU A 717 7.012 -13.380 0.432 1.00 41.13 H new ATOM 0 HD22 LEU A 717 5.912 -12.652 1.626 1.00 41.13 H new ATOM 0 HD23 LEU A 717 5.278 -13.227 0.066 1.00 41.13 H new ATOM 42 N LEU A 718 3.994 -10.091 -2.806 1.00 45.43 N ATOM 43 CA LEU A 718 3.899 -10.607 -4.172 1.00 13.35 C ATOM 44 C LEU A 718 4.352 -9.555 -5.174 1.00 62.23 C ATOM 45 O LEU A 718 4.768 -9.873 -6.283 1.00 35.40 O ATOM 46 CB LEU A 718 2.452 -11.063 -4.501 1.00 52.35 C ATOM 47 CG LEU A 718 1.890 -12.275 -3.710 1.00 74.33 C ATOM 48 CD1 LEU A 718 1.657 -11.930 -2.247 1.00 72.12 C ATOM 49 CD2 LEU A 718 0.612 -12.775 -4.346 1.00 41.22 C ATOM 0 H LEU A 718 3.097 -9.981 -2.333 1.00 45.43 H new ATOM 0 HA LEU A 718 4.557 -11.473 -4.245 1.00 13.35 H new ATOM 0 HB2 LEU A 718 1.786 -10.216 -4.338 1.00 52.35 H new ATOM 0 HB3 LEU A 718 2.407 -11.304 -5.563 1.00 52.35 H new ATOM 0 HG LEU A 718 2.636 -13.069 -3.747 1.00 74.33 H new ATOM 0 HD11 LEU A 718 1.264 -12.803 -1.726 1.00 72.12 H new ATOM 0 HD12 LEU A 718 2.599 -11.628 -1.790 1.00 72.12 H new ATOM 0 HD13 LEU A 718 0.941 -11.111 -2.176 1.00 72.12 H new ATOM 0 HD21 LEU A 718 0.232 -13.625 -3.779 1.00 41.22 H new ATOM 0 HD22 LEU A 718 -0.131 -11.977 -4.346 1.00 41.22 H new ATOM 0 HD23 LEU A 718 0.813 -13.084 -5.372 1.00 41.22 H new ATOM 61 N ILE A 719 4.266 -8.314 -4.770 1.00 42.03 N ATOM 62 CA ILE A 719 4.652 -7.208 -5.607 1.00 70.22 C ATOM 63 C ILE A 719 6.083 -6.735 -5.262 1.00 53.21 C ATOM 64 O ILE A 719 6.821 -6.253 -6.135 1.00 51.00 O ATOM 65 CB ILE A 719 3.657 -6.011 -5.431 1.00 12.43 C ATOM 66 CG1 ILE A 719 2.205 -6.459 -5.716 1.00 42.53 C ATOM 67 CG2 ILE A 719 4.042 -4.836 -6.332 1.00 2.42 C ATOM 68 CD1 ILE A 719 1.971 -6.958 -7.131 1.00 25.01 C ATOM 0 H ILE A 719 3.925 -8.041 -3.848 1.00 42.03 H new ATOM 0 HA ILE A 719 4.627 -7.549 -6.642 1.00 70.22 H new ATOM 0 HB ILE A 719 3.718 -5.677 -4.395 1.00 12.43 H new ATOM 0 HG12 ILE A 719 1.937 -7.250 -5.015 1.00 42.53 H new ATOM 0 HG13 ILE A 719 1.534 -5.622 -5.523 1.00 42.53 H new ATOM 0 HG21 ILE A 719 3.334 -4.020 -6.188 1.00 2.42 H new ATOM 0 HG22 ILE A 719 5.045 -4.495 -6.076 1.00 2.42 H new ATOM 0 HG23 ILE A 719 4.022 -5.155 -7.374 1.00 2.42 H new ATOM 0 HD11 ILE A 719 0.928 -7.252 -7.245 1.00 25.01 H new ATOM 0 HD12 ILE A 719 2.204 -6.164 -7.840 1.00 25.01 H new ATOM 0 HD13 ILE A 719 2.613 -7.817 -7.325 1.00 25.01 H new ATOM 80 N THR A 720 6.479 -6.904 -3.993 1.00 22.34 N ATOM 81 CA THR A 720 7.746 -6.364 -3.509 1.00 2.31 C ATOM 82 C THR A 720 8.939 -7.106 -4.106 1.00 40.25 C ATOM 83 O THR A 720 10.071 -6.616 -4.068 1.00 34.04 O ATOM 84 CB THR A 720 7.831 -6.390 -1.952 1.00 71.41 C ATOM 85 OG1 THR A 720 8.821 -5.462 -1.498 1.00 33.43 O ATOM 86 CG2 THR A 720 8.186 -7.776 -1.447 1.00 70.44 C ATOM 0 H THR A 720 5.939 -7.409 -3.290 1.00 22.34 H new ATOM 0 HA THR A 720 7.784 -5.325 -3.837 1.00 2.31 H new ATOM 0 HB THR A 720 6.853 -6.111 -1.561 1.00 71.41 H new ATOM 0 HG1 THR A 720 9.602 -5.501 -2.089 1.00 33.43 H new ATOM 0 HG21 THR A 720 8.238 -7.764 -0.358 1.00 70.44 H new ATOM 0 HG22 THR A 720 7.423 -8.486 -1.766 1.00 70.44 H new ATOM 0 HG23 THR A 720 9.152 -8.075 -1.853 1.00 70.44 H new ATOM 94 N ILE A 721 8.677 -8.280 -4.658 1.00 22.34 N ATOM 95 CA ILE A 721 9.714 -9.095 -5.252 1.00 60.21 C ATOM 96 C ILE A 721 10.427 -8.332 -6.346 1.00 5.52 C ATOM 97 O ILE A 721 11.656 -8.378 -6.451 1.00 55.45 O ATOM 98 CB ILE A 721 9.129 -10.396 -5.846 1.00 72.11 C ATOM 99 CG1 ILE A 721 8.411 -11.211 -4.762 1.00 71.33 C ATOM 100 CG2 ILE A 721 10.223 -11.227 -6.512 1.00 1.31 C ATOM 101 CD1 ILE A 721 9.305 -11.606 -3.591 1.00 14.12 C ATOM 0 H ILE A 721 7.744 -8.689 -4.705 1.00 22.34 H new ATOM 0 HA ILE A 721 10.421 -9.351 -4.463 1.00 60.21 H new ATOM 0 HB ILE A 721 8.399 -10.124 -6.608 1.00 72.11 H new ATOM 0 HG12 ILE A 721 7.569 -10.632 -4.384 1.00 71.33 H new ATOM 0 HG13 ILE A 721 8.000 -12.114 -5.213 1.00 71.33 H new ATOM 0 HG21 ILE A 721 9.788 -12.138 -6.923 1.00 1.31 H new ATOM 0 HG22 ILE A 721 10.681 -10.649 -7.315 1.00 1.31 H new ATOM 0 HG23 ILE A 721 10.982 -11.488 -5.774 1.00 1.31 H new ATOM 0 HD11 ILE A 721 8.725 -12.179 -2.868 1.00 14.12 H new ATOM 0 HD12 ILE A 721 10.134 -12.213 -3.955 1.00 14.12 H new ATOM 0 HD13 ILE A 721 9.696 -10.708 -3.113 1.00 14.12 H new ATOM 113 N HIS A 722 9.666 -7.604 -7.134 1.00 20.21 N ATOM 114 CA HIS A 722 10.217 -6.862 -8.234 1.00 12.15 C ATOM 115 C HIS A 722 11.164 -5.791 -7.736 1.00 51.12 C ATOM 116 O HIS A 722 12.184 -5.509 -8.364 1.00 34.30 O ATOM 117 CB HIS A 722 9.116 -6.238 -9.074 1.00 52.34 C ATOM 118 CG HIS A 722 9.504 -6.076 -10.487 1.00 4.51 C ATOM 119 ND1 HIS A 722 9.465 -4.880 -11.162 1.00 54.31 N ATOM 120 CD2 HIS A 722 9.945 -6.979 -11.360 1.00 0.43 C ATOM 121 CE1 HIS A 722 9.866 -5.072 -12.401 1.00 10.05 C ATOM 122 NE2 HIS A 722 10.164 -6.339 -12.542 1.00 74.41 N ATOM 0 H HIS A 722 8.656 -7.513 -7.027 1.00 20.21 H new ATOM 0 HA HIS A 722 10.775 -7.558 -8.860 1.00 12.15 H new ATOM 0 HB2 HIS A 722 8.223 -6.860 -9.015 1.00 52.34 H new ATOM 0 HB3 HIS A 722 8.855 -5.265 -8.659 1.00 52.34 H new ATOM 0 HD2 HIS A 722 10.101 -8.030 -11.166 1.00 0.43 H new ATOM 0 HE1 HIS A 722 9.937 -4.315 -13.168 1.00 10.05 H new ATOM 0 HE2 HIS A 722 10.505 -6.776 -13.398 1.00 74.41 H new ATOM 131 N ASP A 723 10.842 -5.212 -6.593 1.00 35.22 N ATOM 132 CA ASP A 723 11.681 -4.175 -6.009 1.00 64.43 C ATOM 133 C ASP A 723 12.877 -4.781 -5.326 1.00 61.05 C ATOM 134 O ASP A 723 13.882 -4.131 -5.148 1.00 11.14 O ATOM 135 CB ASP A 723 10.900 -3.325 -5.011 1.00 62.32 C ATOM 136 CG ASP A 723 9.784 -2.534 -5.640 1.00 23.03 C ATOM 137 OD1 ASP A 723 10.048 -1.407 -6.142 1.00 54.45 O ATOM 138 OD2 ASP A 723 8.636 -3.019 -5.645 1.00 64.04 O ATOM 0 H ASP A 723 10.009 -5.440 -6.050 1.00 35.22 H new ATOM 0 HA ASP A 723 12.018 -3.533 -6.823 1.00 64.43 H new ATOM 0 HB2 ASP A 723 10.485 -3.974 -4.240 1.00 62.32 H new ATOM 0 HB3 ASP A 723 11.586 -2.639 -4.515 1.00 62.32 H new ATOM 143 N ARG A 724 12.767 -6.039 -4.961 1.00 11.34 N ATOM 144 CA ARG A 724 13.878 -6.752 -4.362 1.00 51.33 C ATOM 145 C ARG A 724 14.908 -7.109 -5.395 1.00 25.53 C ATOM 146 O ARG A 724 16.093 -7.133 -5.118 1.00 55.22 O ATOM 147 CB ARG A 724 13.415 -7.998 -3.611 1.00 32.53 C ATOM 148 CG ARG A 724 12.659 -7.698 -2.334 1.00 41.42 C ATOM 149 CD ARG A 724 12.346 -8.961 -1.573 1.00 72.42 C ATOM 150 NE ARG A 724 11.615 -8.685 -0.336 1.00 21.11 N ATOM 151 CZ ARG A 724 11.281 -9.605 0.563 1.00 35.33 C ATOM 152 NH1 ARG A 724 11.658 -10.860 0.402 1.00 72.25 N ATOM 153 NH2 ARG A 724 10.586 -9.260 1.633 1.00 1.22 N ATOM 0 H ARG A 724 11.917 -6.593 -5.068 1.00 11.34 H new ATOM 0 HA ARG A 724 14.336 -6.081 -3.635 1.00 51.33 H new ATOM 0 HB2 ARG A 724 12.779 -8.591 -4.268 1.00 32.53 H new ATOM 0 HB3 ARG A 724 14.284 -8.610 -3.372 1.00 32.53 H new ATOM 0 HG2 ARG A 724 13.250 -7.030 -1.707 1.00 41.42 H new ATOM 0 HG3 ARG A 724 11.733 -7.175 -2.572 1.00 41.42 H new ATOM 0 HD2 ARG A 724 11.756 -9.627 -2.202 1.00 72.42 H new ATOM 0 HD3 ARG A 724 13.274 -9.483 -1.338 1.00 72.42 H new ATOM 0 HE ARG A 724 11.343 -7.720 -0.151 1.00 21.11 H new ATOM 0 HH11 ARG A 724 12.208 -11.127 -0.415 1.00 72.25 H new ATOM 0 HH12 ARG A 724 11.400 -11.563 1.094 1.00 72.25 H new ATOM 0 HH21 ARG A 724 10.306 -8.288 1.768 1.00 1.22 H new ATOM 0 HH22 ARG A 724 10.329 -9.965 2.324 1.00 1.22 H new ATOM 167 N LYS A 725 14.472 -7.389 -6.575 1.00 65.43 N ATOM 168 CA LYS A 725 15.396 -7.652 -7.645 1.00 61.54 C ATOM 169 C LYS A 725 16.045 -6.370 -8.121 1.00 33.34 C ATOM 170 O LYS A 725 17.212 -6.361 -8.494 1.00 11.31 O ATOM 171 CB LYS A 725 14.729 -8.407 -8.804 1.00 54.34 C ATOM 172 CG LYS A 725 14.753 -9.925 -8.651 1.00 13.35 C ATOM 173 CD LYS A 725 13.958 -10.387 -7.446 1.00 55.14 C ATOM 174 CE LYS A 725 14.183 -11.858 -7.166 1.00 32.52 C ATOM 175 NZ LYS A 725 13.760 -12.716 -8.291 1.00 73.23 N ATOM 0 H LYS A 725 13.486 -7.444 -6.832 1.00 65.43 H new ATOM 0 HA LYS A 725 16.178 -8.302 -7.253 1.00 61.54 H new ATOM 0 HB2 LYS A 725 13.694 -8.077 -8.891 1.00 54.34 H new ATOM 0 HB3 LYS A 725 15.229 -8.138 -9.735 1.00 54.34 H new ATOM 0 HG2 LYS A 725 14.348 -10.387 -9.551 1.00 13.35 H new ATOM 0 HG3 LYS A 725 15.785 -10.264 -8.556 1.00 13.35 H new ATOM 0 HD2 LYS A 725 14.245 -9.801 -6.573 1.00 55.14 H new ATOM 0 HD3 LYS A 725 12.897 -10.206 -7.617 1.00 55.14 H new ATOM 0 HE2 LYS A 725 15.240 -12.028 -6.960 1.00 32.52 H new ATOM 0 HE3 LYS A 725 13.633 -12.143 -6.269 1.00 32.52 H new ATOM 0 HZ1 LYS A 725 13.277 -13.560 -7.922 1.00 73.23 H new ATOM 0 HZ2 LYS A 725 13.110 -12.186 -8.906 1.00 73.23 H new ATOM 0 HZ3 LYS A 725 14.595 -13.007 -8.839 1.00 73.23 H new ATOM 189 N GLU A 726 15.290 -5.293 -8.107 1.00 13.53 N ATOM 190 CA GLU A 726 15.815 -4.011 -8.503 1.00 65.13 C ATOM 191 C GLU A 726 16.695 -3.391 -7.389 1.00 52.10 C ATOM 192 O GLU A 726 17.901 -3.198 -7.566 1.00 10.45 O ATOM 193 CB GLU A 726 14.681 -3.063 -8.872 1.00 1.52 C ATOM 194 CG GLU A 726 15.146 -1.714 -9.386 1.00 71.43 C ATOM 195 CD GLU A 726 14.005 -0.798 -9.692 1.00 52.31 C ATOM 196 OE1 GLU A 726 13.510 -0.129 -8.762 1.00 35.34 O ATOM 197 OE2 GLU A 726 13.585 -0.741 -10.858 1.00 73.34 O ATOM 0 H GLU A 726 14.310 -5.283 -7.825 1.00 13.53 H new ATOM 0 HA GLU A 726 16.445 -4.166 -9.379 1.00 65.13 H new ATOM 0 HB2 GLU A 726 14.060 -3.535 -9.633 1.00 1.52 H new ATOM 0 HB3 GLU A 726 14.051 -2.909 -7.996 1.00 1.52 H new ATOM 0 HG2 GLU A 726 15.793 -1.248 -8.643 1.00 71.43 H new ATOM 0 HG3 GLU A 726 15.745 -1.857 -10.285 1.00 71.43 H new ATOM 204 N PHE A 727 16.073 -3.090 -6.255 1.00 34.25 N ATOM 205 CA PHE A 727 16.749 -2.428 -5.148 1.00 0.43 C ATOM 206 C PHE A 727 17.544 -3.388 -4.283 1.00 62.14 C ATOM 207 O PHE A 727 18.753 -3.235 -4.134 1.00 32.10 O ATOM 208 CB PHE A 727 15.757 -1.639 -4.287 1.00 64.20 C ATOM 209 CG PHE A 727 16.393 -1.005 -3.063 1.00 35.23 C ATOM 210 CD1 PHE A 727 17.513 -0.198 -3.186 1.00 61.10 C ATOM 211 CD2 PHE A 727 15.869 -1.221 -1.801 1.00 43.43 C ATOM 212 CE1 PHE A 727 18.093 0.376 -2.074 1.00 1.15 C ATOM 213 CE2 PHE A 727 16.445 -0.650 -0.688 1.00 1.34 C ATOM 214 CZ PHE A 727 17.559 0.149 -0.824 1.00 55.40 C ATOM 0 H PHE A 727 15.090 -3.297 -6.078 1.00 34.25 H new ATOM 0 HA PHE A 727 17.460 -1.735 -5.598 1.00 0.43 H new ATOM 0 HB2 PHE A 727 15.300 -0.859 -4.895 1.00 64.20 H new ATOM 0 HB3 PHE A 727 14.955 -2.305 -3.967 1.00 64.20 H new ATOM 0 HD1 PHE A 727 17.936 -0.017 -4.163 1.00 61.10 H new ATOM 0 HD2 PHE A 727 14.996 -1.846 -1.687 1.00 43.43 H new ATOM 0 HE1 PHE A 727 18.965 1.003 -2.183 1.00 1.15 H new ATOM 0 HE2 PHE A 727 16.024 -0.828 0.290 1.00 1.34 H new ATOM 0 HZ PHE A 727 18.013 0.597 0.048 1.00 55.40 H new ATOM 224 N ALA A 728 16.856 -4.380 -3.703 1.00 42.23 N ATOM 225 CA ALA A 728 17.483 -5.302 -2.726 1.00 61.12 C ATOM 226 C ALA A 728 18.724 -5.941 -3.263 1.00 50.01 C ATOM 227 O ALA A 728 19.649 -6.159 -2.543 1.00 51.42 O ATOM 228 CB ALA A 728 16.521 -6.359 -2.275 1.00 64.32 C ATOM 0 H ALA A 728 15.871 -4.570 -3.887 1.00 42.23 H new ATOM 0 HA ALA A 728 17.764 -4.691 -1.868 1.00 61.12 H new ATOM 0 HB1 ALA A 728 17.013 -7.018 -1.559 1.00 64.32 H new ATOM 0 HB2 ALA A 728 15.659 -5.889 -1.802 1.00 64.32 H new ATOM 0 HB3 ALA A 728 16.190 -6.941 -3.135 1.00 64.32 H new ATOM 234 N LYS A 729 18.739 -6.226 -4.545 1.00 71.52 N ATOM 235 CA LYS A 729 19.866 -6.876 -5.162 1.00 75.21 C ATOM 236 C LYS A 729 21.154 -6.056 -4.990 1.00 61.31 C ATOM 237 O LYS A 729 22.259 -6.602 -4.970 1.00 52.32 O ATOM 238 CB LYS A 729 19.590 -7.147 -6.634 1.00 42.55 C ATOM 239 CG LYS A 729 20.614 -8.053 -7.331 1.00 61.13 C ATOM 240 CD LYS A 729 20.632 -9.466 -6.736 1.00 12.34 C ATOM 241 CE LYS A 729 21.566 -9.580 -5.539 1.00 20.31 C ATOM 242 NZ LYS A 729 22.974 -9.316 -5.901 1.00 71.22 N ATOM 0 H LYS A 729 17.973 -6.014 -5.184 1.00 71.52 H new ATOM 0 HA LYS A 729 20.015 -7.831 -4.657 1.00 75.21 H new ATOM 0 HB2 LYS A 729 18.604 -7.602 -6.725 1.00 42.55 H new ATOM 0 HB3 LYS A 729 19.552 -6.194 -7.162 1.00 42.55 H new ATOM 0 HG2 LYS A 729 20.382 -8.111 -8.394 1.00 61.13 H new ATOM 0 HG3 LYS A 729 21.607 -7.611 -7.245 1.00 61.13 H new ATOM 0 HD2 LYS A 729 19.622 -9.743 -6.433 1.00 12.34 H new ATOM 0 HD3 LYS A 729 20.940 -10.176 -7.503 1.00 12.34 H new ATOM 0 HE2 LYS A 729 21.253 -8.876 -4.768 1.00 20.31 H new ATOM 0 HE3 LYS A 729 21.484 -10.579 -5.111 1.00 20.31 H new ATOM 0 HZ1 LYS A 729 23.598 -9.924 -5.333 1.00 71.22 H new ATOM 0 HZ2 LYS A 729 23.117 -9.520 -6.911 1.00 71.22 H new ATOM 0 HZ3 LYS A 729 23.199 -8.318 -5.714 1.00 71.22 H new ATOM 256 N PHE A 730 20.996 -4.779 -4.847 1.00 13.04 N ATOM 257 CA PHE A 730 22.103 -3.894 -4.650 1.00 15.33 C ATOM 258 C PHE A 730 22.595 -4.025 -3.248 1.00 3.04 C ATOM 259 O PHE A 730 23.791 -4.248 -3.001 1.00 11.32 O ATOM 260 CB PHE A 730 21.659 -2.463 -4.881 1.00 51.41 C ATOM 261 CG PHE A 730 22.792 -1.467 -4.987 1.00 52.55 C ATOM 262 CD1 PHE A 730 23.469 -1.290 -6.180 1.00 53.43 C ATOM 263 CD2 PHE A 730 23.172 -0.710 -3.888 1.00 74.44 C ATOM 264 CE1 PHE A 730 24.504 -0.382 -6.279 1.00 11.52 C ATOM 265 CE2 PHE A 730 24.206 0.199 -3.980 1.00 41.11 C ATOM 266 CZ PHE A 730 24.873 0.364 -5.176 1.00 71.33 C ATOM 0 H PHE A 730 20.088 -4.315 -4.864 1.00 13.04 H new ATOM 0 HA PHE A 730 22.897 -4.150 -5.351 1.00 15.33 H new ATOM 0 HB2 PHE A 730 21.068 -2.422 -5.796 1.00 51.41 H new ATOM 0 HB3 PHE A 730 21.003 -2.163 -4.064 1.00 51.41 H new ATOM 0 HD1 PHE A 730 23.184 -1.870 -7.045 1.00 53.43 H new ATOM 0 HD2 PHE A 730 22.652 -0.834 -2.949 1.00 74.44 H new ATOM 0 HE1 PHE A 730 25.024 -0.255 -7.217 1.00 11.52 H new ATOM 0 HE2 PHE A 730 24.493 0.781 -3.116 1.00 41.11 H new ATOM 0 HZ PHE A 730 25.682 1.075 -5.250 1.00 71.33 H new ATOM 276 N GLU A 731 21.681 -3.895 -2.332 1.00 10.41 N ATOM 277 CA GLU A 731 21.984 -3.884 -0.953 1.00 65.15 C ATOM 278 C GLU A 731 22.387 -5.269 -0.438 1.00 23.34 C ATOM 279 O GLU A 731 23.156 -5.368 0.489 1.00 42.32 O ATOM 280 CB GLU A 731 20.816 -3.305 -0.147 1.00 61.10 C ATOM 281 CG GLU A 731 19.579 -4.195 -0.078 1.00 55.11 C ATOM 282 CD GLU A 731 18.518 -3.660 0.865 1.00 21.04 C ATOM 283 OE1 GLU A 731 18.726 -2.568 1.458 1.00 20.41 O ATOM 284 OE2 GLU A 731 17.474 -4.330 1.032 1.00 41.24 O ATOM 0 H GLU A 731 20.688 -3.792 -2.539 1.00 10.41 H new ATOM 0 HA GLU A 731 22.849 -3.236 -0.814 1.00 65.15 H new ATOM 0 HB2 GLU A 731 21.158 -3.104 0.868 1.00 61.10 H new ATOM 0 HB3 GLU A 731 20.532 -2.347 -0.583 1.00 61.10 H new ATOM 0 HG2 GLU A 731 19.153 -4.295 -1.076 1.00 55.11 H new ATOM 0 HG3 GLU A 731 19.874 -5.194 0.244 1.00 55.11 H new ATOM 291 N GLU A 732 21.853 -6.342 -1.086 1.00 73.23 N ATOM 292 CA GLU A 732 22.089 -7.741 -0.661 1.00 24.32 C ATOM 293 C GLU A 732 23.543 -8.025 -0.322 1.00 54.32 C ATOM 294 O GLU A 732 23.824 -8.652 0.678 1.00 31.34 O ATOM 295 CB GLU A 732 21.583 -8.738 -1.716 1.00 63.14 C ATOM 296 CG GLU A 732 20.087 -9.030 -1.635 1.00 2.24 C ATOM 297 CD GLU A 732 19.655 -10.138 -2.568 1.00 33.14 C ATOM 298 OE1 GLU A 732 19.779 -11.335 -2.190 1.00 13.15 O ATOM 299 OE2 GLU A 732 19.187 -9.840 -3.676 1.00 12.34 O ATOM 0 H GLU A 732 21.254 -6.258 -1.908 1.00 73.23 H new ATOM 0 HA GLU A 732 21.516 -7.875 0.257 1.00 24.32 H new ATOM 0 HB2 GLU A 732 21.812 -8.348 -2.708 1.00 63.14 H new ATOM 0 HB3 GLU A 732 22.131 -9.674 -1.607 1.00 63.14 H new ATOM 0 HG2 GLU A 732 19.830 -9.302 -0.611 1.00 2.24 H new ATOM 0 HG3 GLU A 732 19.531 -8.123 -1.873 1.00 2.24 H new ATOM 306 N GLU A 733 24.457 -7.542 -1.148 1.00 35.24 N ATOM 307 CA GLU A 733 25.886 -7.779 -0.930 1.00 5.02 C ATOM 308 C GLU A 733 26.336 -7.277 0.444 1.00 74.12 C ATOM 309 O GLU A 733 26.947 -8.011 1.210 1.00 21.12 O ATOM 310 CB GLU A 733 26.711 -7.123 -2.025 1.00 1.35 C ATOM 311 CG GLU A 733 26.441 -7.675 -3.397 1.00 22.11 C ATOM 312 CD GLU A 733 27.301 -7.043 -4.464 1.00 74.32 C ATOM 313 OE1 GLU A 733 26.913 -5.990 -5.000 1.00 60.22 O ATOM 314 OE2 GLU A 733 28.375 -7.599 -4.777 1.00 74.35 O ATOM 0 H GLU A 733 24.242 -6.985 -1.975 1.00 35.24 H new ATOM 0 HA GLU A 733 26.048 -8.856 -0.963 1.00 5.02 H new ATOM 0 HB2 GLU A 733 26.509 -6.052 -2.028 1.00 1.35 H new ATOM 0 HB3 GLU A 733 27.769 -7.247 -1.795 1.00 1.35 H new ATOM 0 HG2 GLU A 733 26.612 -8.751 -3.390 1.00 22.11 H new ATOM 0 HG3 GLU A 733 25.391 -7.521 -3.645 1.00 22.11 H new ATOM 321 N ARG A 734 26.015 -6.047 0.742 1.00 45.31 N ATOM 322 CA ARG A 734 26.402 -5.421 1.993 1.00 12.53 C ATOM 323 C ARG A 734 25.473 -5.856 3.144 1.00 40.35 C ATOM 324 O ARG A 734 25.917 -6.041 4.280 1.00 0.44 O ATOM 325 CB ARG A 734 26.403 -3.879 1.812 1.00 65.14 C ATOM 326 CG ARG A 734 26.804 -3.073 3.031 1.00 73.43 C ATOM 327 CD ARG A 734 25.611 -2.736 3.895 1.00 31.42 C ATOM 328 NE ARG A 734 25.967 -1.844 4.978 1.00 41.24 N ATOM 329 CZ ARG A 734 25.097 -1.104 5.665 1.00 14.03 C ATOM 330 NH1 ARG A 734 23.793 -1.173 5.392 1.00 70.35 N ATOM 331 NH2 ARG A 734 25.529 -0.301 6.622 1.00 63.33 N ATOM 0 H ARG A 734 25.474 -5.441 0.125 1.00 45.31 H new ATOM 0 HA ARG A 734 27.408 -5.745 2.262 1.00 12.53 H new ATOM 0 HB2 ARG A 734 27.080 -3.628 0.995 1.00 65.14 H new ATOM 0 HB3 ARG A 734 25.404 -3.567 1.506 1.00 65.14 H new ATOM 0 HG2 ARG A 734 27.530 -3.636 3.617 1.00 73.43 H new ATOM 0 HG3 ARG A 734 27.295 -2.153 2.714 1.00 73.43 H new ATOM 0 HD2 ARG A 734 24.837 -2.273 3.282 1.00 31.42 H new ATOM 0 HD3 ARG A 734 25.187 -3.653 4.304 1.00 31.42 H new ATOM 0 HE ARG A 734 26.952 -1.777 5.233 1.00 41.24 H new ATOM 0 HH11 ARG A 734 23.458 -1.794 4.655 1.00 70.35 H new ATOM 0 HH12 ARG A 734 23.131 -0.605 5.920 1.00 70.35 H new ATOM 0 HH21 ARG A 734 26.526 -0.249 6.833 1.00 63.33 H new ATOM 0 HH22 ARG A 734 24.866 0.267 7.150 1.00 63.33 H new ATOM 345 N ALA A 735 24.213 -6.020 2.835 1.00 10.31 N ATOM 346 CA ALA A 735 23.207 -6.381 3.825 1.00 42.42 C ATOM 347 C ALA A 735 23.414 -7.801 4.331 1.00 23.10 C ATOM 348 O ALA A 735 23.505 -8.034 5.522 1.00 41.55 O ATOM 349 CB ALA A 735 21.812 -6.222 3.240 1.00 53.24 C ATOM 0 H ALA A 735 23.845 -5.909 1.890 1.00 10.31 H new ATOM 0 HA ALA A 735 23.312 -5.706 4.675 1.00 42.42 H new ATOM 0 HB1 ALA A 735 21.070 -6.495 3.990 1.00 53.24 H new ATOM 0 HB2 ALA A 735 21.660 -5.186 2.939 1.00 53.24 H new ATOM 0 HB3 ALA A 735 21.706 -6.871 2.371 1.00 53.24 H new ATOM 355 N ARG A 736 23.512 -8.736 3.417 1.00 41.02 N ATOM 356 CA ARG A 736 23.692 -10.150 3.761 1.00 64.34 C ATOM 357 C ARG A 736 25.088 -10.392 4.361 1.00 12.41 C ATOM 358 O ARG A 736 25.331 -11.399 5.020 1.00 31.12 O ATOM 359 CB ARG A 736 23.474 -11.013 2.513 1.00 64.30 C ATOM 360 CG ARG A 736 23.659 -12.496 2.716 1.00 74.24 C ATOM 361 CD ARG A 736 23.387 -13.241 1.434 1.00 65.34 C ATOM 362 NE ARG A 736 23.804 -14.636 1.493 1.00 25.13 N ATOM 363 CZ ARG A 736 23.973 -15.402 0.400 1.00 32.44 C ATOM 364 NH1 ARG A 736 23.655 -14.922 -0.803 1.00 64.42 N ATOM 365 NH2 ARG A 736 24.439 -16.649 0.510 1.00 10.13 N ATOM 0 H ARG A 736 23.471 -8.553 2.414 1.00 41.02 H new ATOM 0 HA ARG A 736 22.956 -10.429 4.515 1.00 64.34 H new ATOM 0 HB2 ARG A 736 22.465 -10.837 2.141 1.00 64.30 H new ATOM 0 HB3 ARG A 736 24.163 -10.680 1.736 1.00 64.30 H new ATOM 0 HG2 ARG A 736 24.675 -12.699 3.053 1.00 74.24 H new ATOM 0 HG3 ARG A 736 22.987 -12.849 3.498 1.00 74.24 H new ATOM 0 HD2 ARG A 736 22.321 -13.194 1.211 1.00 65.34 H new ATOM 0 HD3 ARG A 736 23.906 -12.745 0.614 1.00 65.34 H new ATOM 0 HE ARG A 736 23.976 -15.052 2.408 1.00 25.13 H new ATOM 0 HH11 ARG A 736 23.285 -13.976 -0.893 1.00 64.42 H new ATOM 0 HH12 ARG A 736 23.782 -15.501 -1.633 1.00 64.42 H new ATOM 0 HH21 ARG A 736 24.670 -17.028 1.428 1.00 10.13 H new ATOM 0 HH22 ARG A 736 24.564 -17.222 -0.324 1.00 10.13 H new ATOM 379 N ALA A 737 25.973 -9.446 4.152 1.00 11.14 N ATOM 380 CA ALA A 737 27.321 -9.527 4.672 1.00 33.04 C ATOM 381 C ALA A 737 27.344 -9.356 6.196 1.00 65.23 C ATOM 382 O ALA A 737 28.333 -9.669 6.852 1.00 52.52 O ATOM 383 CB ALA A 737 28.186 -8.475 4.021 1.00 62.34 C ATOM 0 H ALA A 737 25.781 -8.599 3.618 1.00 11.14 H new ATOM 0 HA ALA A 737 27.714 -10.517 4.440 1.00 33.04 H new ATOM 0 HB1 ALA A 737 29.199 -8.541 4.417 1.00 62.34 H new ATOM 0 HB2 ALA A 737 28.206 -8.636 2.943 1.00 62.34 H new ATOM 0 HB3 ALA A 737 27.778 -7.487 4.232 1.00 62.34 H new ATOM 389 N LYS A 738 26.260 -8.868 6.742 1.00 52.44 N ATOM 390 CA LYS A 738 26.182 -8.603 8.158 1.00 1.51 C ATOM 391 C LYS A 738 24.874 -9.109 8.739 1.00 64.52 C ATOM 392 O LYS A 738 24.775 -9.378 9.929 1.00 23.02 O ATOM 393 CB LYS A 738 26.357 -7.105 8.413 1.00 5.53 C ATOM 394 CG LYS A 738 26.643 -6.740 9.868 1.00 61.44 C ATOM 395 CD LYS A 738 27.107 -5.297 9.989 1.00 43.12 C ATOM 396 CE LYS A 738 28.425 -5.081 9.244 1.00 15.25 C ATOM 397 NZ LYS A 738 28.832 -3.662 9.219 1.00 13.13 N ATOM 0 H LYS A 738 25.411 -8.644 6.223 1.00 52.44 H new ATOM 0 HA LYS A 738 26.987 -9.140 8.660 1.00 1.51 H new ATOM 0 HB2 LYS A 738 27.173 -6.736 7.792 1.00 5.53 H new ATOM 0 HB3 LYS A 738 25.453 -6.587 8.092 1.00 5.53 H new ATOM 0 HG2 LYS A 738 25.744 -6.888 10.467 1.00 61.44 H new ATOM 0 HG3 LYS A 738 27.407 -7.406 10.270 1.00 61.44 H new ATOM 0 HD2 LYS A 738 26.344 -4.631 9.586 1.00 43.12 H new ATOM 0 HD3 LYS A 738 27.233 -5.039 11.040 1.00 43.12 H new ATOM 0 HE2 LYS A 738 29.208 -5.672 9.718 1.00 15.25 H new ATOM 0 HE3 LYS A 738 28.325 -5.445 8.222 1.00 15.25 H new ATOM 0 HZ1 LYS A 738 29.730 -3.568 8.703 1.00 13.13 H new ATOM 0 HZ2 LYS A 738 28.099 -3.099 8.743 1.00 13.13 H new ATOM 0 HZ3 LYS A 738 28.954 -3.319 10.193 1.00 13.13 H new ATOM 411 N TRP A 739 23.874 -9.233 7.892 1.00 3.44 N ATOM 412 CA TRP A 739 22.556 -9.656 8.305 1.00 71.41 C ATOM 413 C TRP A 739 22.063 -10.749 7.398 1.00 72.01 C ATOM 414 O TRP A 739 20.900 -10.757 6.975 1.00 1.14 O ATOM 415 CB TRP A 739 21.596 -8.459 8.272 1.00 53.33 C ATOM 416 CG TRP A 739 22.103 -7.308 9.061 1.00 24.31 C ATOM 417 CD1 TRP A 739 23.124 -6.488 8.717 1.00 40.33 C ATOM 418 CD2 TRP A 739 21.627 -6.848 10.318 1.00 61.34 C ATOM 419 NE1 TRP A 739 23.355 -5.591 9.684 1.00 4.14 N ATOM 420 CE2 TRP A 739 22.433 -5.761 10.683 1.00 33.41 C ATOM 421 CE3 TRP A 739 20.606 -7.251 11.175 1.00 63.32 C ATOM 422 CZ2 TRP A 739 22.252 -5.064 11.872 1.00 45.10 C ATOM 423 CZ3 TRP A 739 20.420 -6.558 12.355 1.00 25.43 C ATOM 424 CH2 TRP A 739 21.241 -5.475 12.695 1.00 50.13 C ATOM 0 H TRP A 739 23.955 -9.042 6.893 1.00 3.44 H new ATOM 0 HA TRP A 739 22.602 -10.043 9.323 1.00 71.41 H new ATOM 0 HB2 TRP A 739 21.442 -8.148 7.239 1.00 53.33 H new ATOM 0 HB3 TRP A 739 20.625 -8.764 8.662 1.00 53.33 H new ATOM 0 HD1 TRP A 739 23.676 -6.549 7.791 1.00 40.33 H new ATOM 0 HE1 TRP A 739 24.099 -4.893 9.678 1.00 4.14 H new ATOM 0 HE3 TRP A 739 19.973 -8.088 10.922 1.00 63.32 H new ATOM 0 HZ2 TRP A 739 22.886 -4.230 12.135 1.00 45.10 H new ATOM 0 HZ3 TRP A 739 19.629 -6.856 13.027 1.00 25.43 H new ATOM 0 HH2 TRP A 739 21.072 -4.954 13.626 1.00 50.13 H new ATOM 435 N ASP A 740 22.951 -11.664 7.090 1.00 23.35 N ATOM 436 CA ASP A 740 22.625 -12.871 6.297 1.00 55.11 C ATOM 437 C ASP A 740 21.391 -13.574 6.866 1.00 60.21 C ATOM 438 O ASP A 740 20.493 -13.962 6.130 1.00 41.30 O ATOM 439 CB ASP A 740 23.834 -13.847 6.298 1.00 64.32 C ATOM 440 CG ASP A 740 23.585 -15.134 5.503 1.00 55.21 C ATOM 441 OD1 ASP A 740 23.079 -16.114 6.088 1.00 13.34 O ATOM 442 OD2 ASP A 740 23.923 -15.172 4.299 1.00 12.51 O ATOM 0 H ASP A 740 23.929 -11.611 7.374 1.00 23.35 H new ATOM 0 HA ASP A 740 22.409 -12.564 5.274 1.00 55.11 H new ATOM 0 HB2 ASP A 740 24.703 -13.336 5.883 1.00 64.32 H new ATOM 0 HB3 ASP A 740 24.079 -14.108 7.328 1.00 64.32 H new ATOM 447 N THR A 741 21.338 -13.686 8.180 1.00 50.14 N ATOM 448 CA THR A 741 20.244 -14.371 8.850 1.00 74.02 C ATOM 449 C THR A 741 18.936 -13.524 8.828 1.00 52.31 C ATOM 450 O THR A 741 17.853 -14.042 9.079 1.00 13.51 O ATOM 451 CB THR A 741 20.616 -14.739 10.334 1.00 31.01 C ATOM 452 OG1 THR A 741 19.597 -15.574 10.911 1.00 22.41 O ATOM 453 CG2 THR A 741 20.778 -13.480 11.186 1.00 11.51 C ATOM 0 H THR A 741 22.045 -13.309 8.811 1.00 50.14 H new ATOM 0 HA THR A 741 20.068 -15.293 8.297 1.00 74.02 H new ATOM 0 HB THR A 741 21.564 -15.278 10.317 1.00 31.01 H new ATOM 0 HG1 THR A 741 18.731 -15.362 10.504 1.00 22.41 H new ATOM 0 HG21 THR A 741 21.035 -13.762 12.207 1.00 11.51 H new ATOM 0 HG22 THR A 741 21.572 -12.859 10.770 1.00 11.51 H new ATOM 0 HG23 THR A 741 19.843 -12.920 11.189 1.00 11.51 H new ATOM 461 N ALA A 742 19.062 -12.239 8.513 1.00 14.34 N ATOM 462 CA ALA A 742 17.911 -11.333 8.510 1.00 73.24 C ATOM 463 C ALA A 742 17.348 -11.158 7.101 1.00 70.04 C ATOM 464 O ALA A 742 16.129 -11.129 6.904 1.00 41.10 O ATOM 465 CB ALA A 742 18.296 -9.987 9.098 1.00 60.13 C ATOM 0 H ALA A 742 19.946 -11.799 8.257 1.00 14.34 H new ATOM 0 HA ALA A 742 17.132 -11.777 9.129 1.00 73.24 H new ATOM 0 HB1 ALA A 742 17.430 -9.325 9.089 1.00 60.13 H new ATOM 0 HB2 ALA A 742 18.638 -10.123 10.124 1.00 60.13 H new ATOM 0 HB3 ALA A 742 19.096 -9.546 8.504 1.00 60.13 H new ATOM 471 N ASN A 743 18.230 -11.040 6.134 1.00 41.33 N ATOM 472 CA ASN A 743 17.819 -10.879 4.735 1.00 72.31 C ATOM 473 C ASN A 743 17.442 -12.194 4.145 1.00 14.22 C ATOM 474 O ASN A 743 16.526 -12.287 3.339 1.00 73.25 O ATOM 475 CB ASN A 743 18.948 -10.254 3.892 1.00 44.03 C ATOM 476 CG ASN A 743 19.272 -8.843 4.286 1.00 63.11 C ATOM 477 OD1 ASN A 743 18.687 -7.892 3.773 1.00 74.42 O ATOM 478 ND2 ASN A 743 20.198 -8.691 5.184 1.00 34.10 N ATOM 0 H ASN A 743 19.240 -11.051 6.279 1.00 41.33 H new ATOM 0 HA ASN A 743 16.957 -10.213 4.723 1.00 72.31 H new ATOM 0 HB2 ASN A 743 19.845 -10.866 3.988 1.00 44.03 H new ATOM 0 HB3 ASN A 743 18.660 -10.273 2.841 1.00 44.03 H new ATOM 0 HD21 ASN A 743 20.464 -7.755 5.489 1.00 34.10 H new ATOM 0 HD22 ASN A 743 20.659 -9.508 5.585 1.00 34.10 H new ATOM 485 N ASN A 744 18.146 -13.216 4.539 1.00 12.22 N ATOM 486 CA ASN A 744 17.952 -14.529 3.986 1.00 10.13 C ATOM 487 C ASN A 744 17.325 -15.445 4.990 1.00 2.23 C ATOM 488 O ASN A 744 17.934 -15.761 6.014 1.00 72.33 O ATOM 489 CB ASN A 744 19.302 -15.140 3.534 1.00 44.31 C ATOM 490 CG ASN A 744 19.890 -14.524 2.272 1.00 15.51 C ATOM 491 OD1 ASN A 744 19.614 -13.278 2.037 1.00 1.34 O flip ATOM 492 ND2 ASN A 744 20.590 -15.192 1.520 1.00 45.34 N flip ATOM 0 H ASN A 744 18.872 -13.164 5.254 1.00 12.22 H new ATOM 0 HA ASN A 744 17.291 -14.424 3.126 1.00 10.13 H new ATOM 0 HB2 ASN A 744 20.023 -15.032 4.344 1.00 44.31 H new ATOM 0 HB3 ASN A 744 19.164 -16.209 3.370 1.00 44.31 H new ATOM 0 HD21 ASN A 744 20.785 -16.169 1.738 1.00 45.34 H new ATOM 0 HD22 ASN A 744 20.978 -14.771 0.676 1.00 45.34 H new ATOM 499 N PRO A 745 16.090 -15.876 4.745 1.00 25.43 N ATOM 500 CA PRO A 745 15.497 -16.961 5.497 1.00 34.24 C ATOM 501 C PRO A 745 16.054 -18.289 4.992 1.00 43.51 C ATOM 502 O PRO A 745 15.978 -19.316 5.661 1.00 5.13 O ATOM 503 CB PRO A 745 14.001 -16.844 5.181 1.00 30.13 C ATOM 504 CG PRO A 745 13.943 -16.197 3.838 1.00 14.33 C ATOM 505 CD PRO A 745 15.160 -15.313 3.733 1.00 23.53 C ATOM 0 HA PRO A 745 15.700 -16.916 6.567 1.00 34.24 H new ATOM 0 HB2 PRO A 745 13.522 -17.823 5.169 1.00 30.13 H new ATOM 0 HB3 PRO A 745 13.484 -16.245 5.931 1.00 30.13 H new ATOM 0 HG2 PRO A 745 13.939 -16.947 3.047 1.00 14.33 H new ATOM 0 HG3 PRO A 745 13.029 -15.613 3.728 1.00 14.33 H new ATOM 0 HD2 PRO A 745 15.591 -15.342 2.732 1.00 23.53 H new ATOM 0 HD3 PRO A 745 14.919 -14.272 3.946 1.00 23.53 H new ATOM 513 N LEU A 746 16.631 -18.227 3.806 1.00 14.25 N ATOM 514 CA LEU A 746 17.255 -19.345 3.161 1.00 22.53 C ATOM 515 C LEU A 746 18.143 -18.833 2.043 1.00 14.43 C ATOM 516 O LEU A 746 19.261 -19.293 1.862 1.00 60.30 O ATOM 517 CB LEU A 746 16.194 -20.302 2.599 1.00 53.10 C ATOM 518 CG LEU A 746 16.721 -21.539 1.871 1.00 11.12 C ATOM 519 CD1 LEU A 746 17.563 -22.387 2.802 1.00 22.04 C ATOM 520 CD2 LEU A 746 15.579 -22.349 1.311 1.00 71.21 C ATOM 0 H LEU A 746 16.674 -17.368 3.257 1.00 14.25 H new ATOM 0 HA LEU A 746 17.856 -19.894 3.886 1.00 22.53 H new ATOM 0 HB2 LEU A 746 15.560 -20.632 3.422 1.00 53.10 H new ATOM 0 HB3 LEU A 746 15.559 -19.744 1.911 1.00 53.10 H new ATOM 0 HG LEU A 746 17.349 -21.208 1.044 1.00 11.12 H new ATOM 0 HD11 LEU A 746 17.929 -23.263 2.266 1.00 22.04 H new ATOM 0 HD12 LEU A 746 18.409 -21.802 3.162 1.00 22.04 H new ATOM 0 HD13 LEU A 746 16.957 -22.708 3.650 1.00 22.04 H new ATOM 0 HD21 LEU A 746 15.973 -23.225 0.796 1.00 71.21 H new ATOM 0 HD22 LEU A 746 14.926 -22.668 2.124 1.00 71.21 H new ATOM 0 HD23 LEU A 746 15.011 -21.740 0.608 1.00 71.21 H new ATOM 556 N LYS A 748 16.385 -16.331 -0.698 1.00 61.52 N ATOM 557 CA LYS A 748 15.520 -15.402 -1.174 1.00 61.33 C ATOM 558 C LYS A 748 14.209 -15.530 -0.432 1.00 73.40 C ATOM 559 O LYS A 748 14.145 -16.178 0.613 1.00 20.34 O ATOM 560 CB LYS A 748 15.313 -15.673 -2.628 1.00 2.12 C ATOM 561 CG LYS A 748 15.563 -14.497 -3.504 1.00 31.13 C ATOM 562 CD LYS A 748 17.040 -14.104 -3.516 1.00 21.13 C ATOM 563 CE LYS A 748 17.275 -12.865 -4.364 1.00 52.41 C ATOM 564 NZ LYS A 748 18.711 -12.492 -4.427 1.00 42.21 N ATOM 0 HA LYS A 748 15.910 -14.394 -1.034 1.00 61.33 H new ATOM 0 HB2 LYS A 748 15.971 -16.487 -2.933 1.00 2.12 H new ATOM 0 HB3 LYS A 748 14.290 -16.016 -2.781 1.00 2.12 H new ATOM 0 HG2 LYS A 748 15.239 -14.724 -4.520 1.00 31.13 H new ATOM 0 HG3 LYS A 748 14.965 -13.653 -3.160 1.00 31.13 H new ATOM 0 HD2 LYS A 748 17.377 -13.919 -2.496 1.00 21.13 H new ATOM 0 HD3 LYS A 748 17.635 -14.931 -3.903 1.00 21.13 H new ATOM 0 HE2 LYS A 748 16.903 -13.042 -5.373 1.00 52.41 H new ATOM 0 HE3 LYS A 748 16.703 -12.033 -3.954 1.00 52.41 H new ATOM 0 HZ1 LYS A 748 18.810 -11.571 -4.899 1.00 42.21 H new ATOM 0 HZ2 LYS A 748 19.096 -12.430 -3.463 1.00 42.21 H new ATOM 0 HZ3 LYS A 748 19.234 -13.214 -4.963 1.00 42.21 H new ATOM 578 N GLU A 749 13.192 -14.943 -0.960 1.00 33.25 N ATOM 579 CA GLU A 749 11.890 -15.002 -0.355 1.00 40.22 C ATOM 580 C GLU A 749 11.188 -16.302 -0.724 1.00 33.25 C ATOM 581 O GLU A 749 10.797 -17.084 0.145 1.00 53.45 O ATOM 582 CB GLU A 749 11.055 -13.809 -0.808 1.00 63.54 C ATOM 583 CG GLU A 749 9.700 -13.712 -0.157 1.00 54.24 C ATOM 584 CD GLU A 749 9.785 -13.645 1.346 1.00 62.43 C ATOM 585 OE1 GLU A 749 10.524 -12.790 1.868 1.00 62.53 O ATOM 586 OE2 GLU A 749 9.112 -14.440 2.016 1.00 33.23 O ATOM 0 H GLU A 749 13.231 -14.405 -1.826 1.00 33.25 H new ATOM 0 HA GLU A 749 12.006 -14.968 0.728 1.00 40.22 H new ATOM 0 HB2 GLU A 749 11.610 -12.894 -0.601 1.00 63.54 H new ATOM 0 HB3 GLU A 749 10.922 -13.864 -1.888 1.00 63.54 H new ATOM 0 HG2 GLU A 749 9.185 -12.826 -0.528 1.00 54.24 H new ATOM 0 HG3 GLU A 749 9.099 -14.575 -0.446 1.00 54.24 H new ATOM 593 N ALA A 750 11.065 -16.543 -2.017 1.00 10.35 N ATOM 594 CA ALA A 750 10.334 -17.695 -2.518 1.00 11.23 C ATOM 595 C ALA A 750 11.090 -19.001 -2.306 1.00 61.31 C ATOM 596 O ALA A 750 10.540 -20.074 -2.502 1.00 34.34 O ATOM 597 CB ALA A 750 9.995 -17.512 -3.977 1.00 63.23 C ATOM 0 H ALA A 750 11.465 -15.951 -2.745 1.00 10.35 H new ATOM 0 HA ALA A 750 9.411 -17.763 -1.942 1.00 11.23 H new ATOM 0 HB1 ALA A 750 9.448 -18.384 -4.336 1.00 63.23 H new ATOM 0 HB2 ALA A 750 9.378 -16.621 -4.098 1.00 63.23 H new ATOM 0 HB3 ALA A 750 10.914 -17.398 -4.553 1.00 63.23 H new ATOM 603 N THR A 751 12.337 -18.909 -1.897 1.00 34.21 N ATOM 604 CA THR A 751 13.145 -20.095 -1.688 1.00 64.14 C ATOM 605 C THR A 751 12.677 -20.892 -0.468 1.00 11.34 C ATOM 606 O THR A 751 12.913 -22.088 -0.374 1.00 13.34 O ATOM 607 CB THR A 751 14.643 -19.754 -1.549 1.00 63.22 C ATOM 608 OG1 THR A 751 14.810 -18.654 -0.637 1.00 2.14 O ATOM 609 CG2 THR A 751 15.234 -19.385 -2.900 1.00 53.25 C ATOM 0 H THR A 751 12.814 -18.029 -1.703 1.00 34.21 H new ATOM 0 HA THR A 751 13.016 -20.714 -2.576 1.00 64.14 H new ATOM 0 HB THR A 751 15.163 -20.631 -1.164 1.00 63.22 H new ATOM 0 HG1 THR A 751 15.447 -18.011 -1.013 1.00 2.14 H new ATOM 0 HG21 THR A 751 16.291 -19.148 -2.782 1.00 53.25 H new ATOM 0 HG22 THR A 751 15.125 -20.225 -3.586 1.00 53.25 H new ATOM 0 HG23 THR A 751 14.710 -18.518 -3.302 1.00 53.25 H new ATOM 617 N SER A 752 12.010 -20.223 0.442 1.00 32.32 N ATOM 618 CA SER A 752 11.533 -20.858 1.639 1.00 44.05 C ATOM 619 C SER A 752 10.098 -21.392 1.460 1.00 2.44 C ATOM 620 O SER A 752 9.696 -22.363 2.112 1.00 73.45 O ATOM 621 CB SER A 752 11.606 -19.884 2.798 1.00 72.22 C ATOM 622 OG SER A 752 12.937 -19.404 2.962 1.00 12.34 O ATOM 0 H SER A 752 11.786 -19.230 0.371 1.00 32.32 H new ATOM 0 HA SER A 752 12.172 -21.715 1.853 1.00 44.05 H new ATOM 0 HB2 SER A 752 10.930 -19.047 2.621 1.00 72.22 H new ATOM 0 HB3 SER A 752 11.274 -20.373 3.714 1.00 72.22 H new ATOM 0 HG SER A 752 13.262 -19.639 3.856 1.00 12.34 H new ATOM 628 N THR A 753 9.345 -20.769 0.573 1.00 1.33 N ATOM 629 CA THR A 753 7.984 -21.181 0.329 1.00 41.45 C ATOM 630 C THR A 753 7.917 -22.264 -0.781 1.00 1.34 C ATOM 631 O THR A 753 7.109 -23.196 -0.707 1.00 71.05 O ATOM 632 CB THR A 753 7.048 -19.956 -0.018 1.00 3.53 C ATOM 633 OG1 THR A 753 5.711 -20.402 -0.253 1.00 23.11 O ATOM 634 CG2 THR A 753 7.546 -19.206 -1.232 1.00 31.53 C ATOM 0 H THR A 753 9.657 -19.976 0.012 1.00 1.33 H new ATOM 0 HA THR A 753 7.612 -21.620 1.255 1.00 41.45 H new ATOM 0 HB THR A 753 7.064 -19.280 0.837 1.00 3.53 H new ATOM 0 HG1 THR A 753 5.142 -19.633 -0.465 1.00 23.11 H new ATOM 0 HG21 THR A 753 6.879 -18.370 -1.442 1.00 31.53 H new ATOM 0 HG22 THR A 753 8.551 -18.829 -1.040 1.00 31.53 H new ATOM 0 HG23 THR A 753 7.568 -19.877 -2.091 1.00 31.53 H new ATOM 642 N PHE A 754 8.780 -22.145 -1.778 1.00 32.30 N ATOM 643 CA PHE A 754 8.825 -23.107 -2.862 1.00 62.54 C ATOM 644 C PHE A 754 10.121 -23.870 -2.822 1.00 31.10 C ATOM 645 O PHE A 754 10.998 -23.565 -2.015 1.00 31.14 O ATOM 646 CB PHE A 754 8.664 -22.417 -4.208 1.00 30.40 C ATOM 647 CG PHE A 754 7.396 -21.646 -4.343 1.00 43.23 C ATOM 648 CD1 PHE A 754 6.173 -22.259 -4.127 1.00 0.14 C ATOM 649 CD2 PHE A 754 7.421 -20.314 -4.690 1.00 21.12 C ATOM 650 CE1 PHE A 754 4.997 -21.550 -4.252 1.00 43.04 C ATOM 651 CE2 PHE A 754 6.249 -19.595 -4.817 1.00 31.22 C ATOM 652 CZ PHE A 754 5.034 -20.215 -4.597 1.00 5.44 C ATOM 0 H PHE A 754 9.460 -21.388 -1.857 1.00 32.30 H new ATOM 0 HA PHE A 754 7.997 -23.804 -2.735 1.00 62.54 H new ATOM 0 HB2 PHE A 754 9.506 -21.742 -4.363 1.00 30.40 H new ATOM 0 HB3 PHE A 754 8.707 -23.167 -4.997 1.00 30.40 H new ATOM 0 HD1 PHE A 754 6.140 -23.304 -3.858 1.00 0.14 H new ATOM 0 HD2 PHE A 754 8.368 -19.826 -4.865 1.00 21.12 H new ATOM 0 HE1 PHE A 754 4.049 -22.039 -4.080 1.00 43.04 H new ATOM 0 HE2 PHE A 754 6.282 -18.550 -5.088 1.00 31.22 H new ATOM 0 HZ PHE A 754 4.115 -19.656 -4.695 1.00 5.44 H new ATOM 662 N THR A 755 10.260 -24.836 -3.685 1.00 60.44 N ATOM 663 CA THR A 755 11.416 -25.689 -3.669 1.00 11.24 C ATOM 664 C THR A 755 12.452 -25.273 -4.715 1.00 24.23 C ATOM 665 O THR A 755 13.661 -25.314 -4.452 1.00 55.44 O ATOM 666 CB THR A 755 11.026 -27.160 -3.867 1.00 23.03 C ATOM 667 OG1 THR A 755 10.166 -27.287 -5.013 1.00 73.13 O ATOM 668 CG2 THR A 755 10.301 -27.681 -2.643 1.00 43.31 C ATOM 0 H THR A 755 9.581 -25.054 -4.415 1.00 60.44 H new ATOM 0 HA THR A 755 11.872 -25.578 -2.685 1.00 11.24 H new ATOM 0 HB THR A 755 11.935 -27.742 -4.022 1.00 23.03 H new ATOM 0 HG1 THR A 755 9.922 -28.228 -5.136 1.00 73.13 H new ATOM 0 HG21 THR A 755 10.030 -28.725 -2.798 1.00 43.31 H new ATOM 0 HG22 THR A 755 10.952 -27.600 -1.773 1.00 43.31 H new ATOM 0 HG23 THR A 755 9.398 -27.093 -2.477 1.00 43.31 H new ATOM 676 N ASN A 756 11.987 -24.860 -5.891 1.00 51.21 N ATOM 677 CA ASN A 756 12.893 -24.460 -6.962 1.00 23.13 C ATOM 678 C ASN A 756 12.159 -23.713 -8.066 1.00 5.03 C ATOM 679 O ASN A 756 11.393 -24.309 -8.841 1.00 2.22 O ATOM 680 CB ASN A 756 13.631 -25.685 -7.536 1.00 35.23 C ATOM 681 CG ASN A 756 14.661 -25.321 -8.591 1.00 63.03 C ATOM 682 OD1 ASN A 756 14.378 -25.336 -9.783 1.00 43.11 O ATOM 683 ND2 ASN A 756 15.849 -24.987 -8.158 1.00 42.53 N ATOM 0 H ASN A 756 10.996 -24.794 -6.125 1.00 51.21 H new ATOM 0 HA ASN A 756 13.628 -23.779 -6.534 1.00 23.13 H new ATOM 0 HB2 ASN A 756 14.125 -26.217 -6.723 1.00 35.23 H new ATOM 0 HB3 ASN A 756 12.902 -26.370 -7.970 1.00 35.23 H new ATOM 0 HD21 ASN A 756 16.579 -24.727 -8.821 1.00 42.53 H new ATOM 0 HD22 ASN A 756 16.046 -24.987 -7.157 1.00 42.53 H new ATOM 690 N ILE A 757 12.377 -22.408 -8.126 1.00 42.14 N ATOM 691 CA ILE A 757 11.777 -21.572 -9.160 1.00 44.11 C ATOM 692 C ILE A 757 12.886 -20.913 -9.956 1.00 72.40 C ATOM 693 O ILE A 757 13.980 -20.700 -9.434 1.00 73.22 O ATOM 694 CB ILE A 757 10.875 -20.412 -8.552 1.00 73.42 C ATOM 695 CG1 ILE A 757 10.237 -20.804 -7.210 1.00 43.41 C ATOM 696 CG2 ILE A 757 9.801 -19.986 -9.540 1.00 33.31 C ATOM 697 CD1 ILE A 757 11.140 -20.589 -6.005 1.00 4.25 C ATOM 0 H ILE A 757 12.968 -21.901 -7.468 1.00 42.14 H new ATOM 0 HA ILE A 757 11.150 -22.216 -9.777 1.00 44.11 H new ATOM 0 HB ILE A 757 11.539 -19.569 -8.362 1.00 73.42 H new ATOM 0 HG12 ILE A 757 9.323 -20.227 -7.073 1.00 43.41 H new ATOM 0 HG13 ILE A 757 9.948 -21.854 -7.251 1.00 43.41 H new ATOM 0 HG21 ILE A 757 9.197 -19.192 -9.101 1.00 33.31 H new ATOM 0 HG22 ILE A 757 10.271 -19.622 -10.454 1.00 33.31 H new ATOM 0 HG23 ILE A 757 9.164 -20.839 -9.775 1.00 33.31 H new ATOM 0 HD11 ILE A 757 10.615 -20.890 -5.098 1.00 4.25 H new ATOM 0 HD12 ILE A 757 12.044 -21.188 -6.116 1.00 4.25 H new ATOM 0 HD13 ILE A 757 11.409 -19.535 -5.935 1.00 4.25 H new ATOM 709 N THR A 758 12.621 -20.586 -11.190 1.00 53.24 N ATOM 710 CA THR A 758 13.594 -19.886 -11.986 1.00 23.35 C ATOM 711 C THR A 758 13.380 -18.372 -11.853 1.00 4.11 C ATOM 712 O THR A 758 14.239 -17.569 -12.211 1.00 72.43 O ATOM 713 CB THR A 758 13.533 -20.323 -13.480 1.00 12.41 C ATOM 714 OG1 THR A 758 14.774 -20.021 -14.130 1.00 21.01 O ATOM 715 CG2 THR A 758 12.395 -19.628 -14.228 1.00 11.32 C ATOM 0 H THR A 758 11.743 -20.791 -11.667 1.00 53.24 H new ATOM 0 HA THR A 758 14.587 -20.141 -11.615 1.00 23.35 H new ATOM 0 HB THR A 758 13.350 -21.397 -13.498 1.00 12.41 H new ATOM 0 HG1 THR A 758 14.728 -20.300 -15.068 1.00 21.01 H new ATOM 0 HG21 THR A 758 12.386 -19.959 -15.266 1.00 11.32 H new ATOM 0 HG22 THR A 758 11.444 -19.880 -13.759 1.00 11.32 H new ATOM 0 HG23 THR A 758 12.542 -18.549 -14.193 1.00 11.32 H new ATOM 723 N TYR A 759 12.228 -18.004 -11.326 1.00 33.22 N ATOM 724 CA TYR A 759 11.910 -16.635 -11.080 1.00 34.31 C ATOM 725 C TYR A 759 12.230 -16.273 -9.670 1.00 44.12 C ATOM 726 O TYR A 759 12.635 -15.155 -9.389 1.00 41.20 O ATOM 727 CB TYR A 759 10.459 -16.384 -11.371 1.00 31.11 C ATOM 728 CG TYR A 759 10.076 -16.653 -12.805 1.00 4.34 C ATOM 729 CD1 TYR A 759 10.436 -15.773 -13.813 1.00 24.14 C ATOM 730 CD2 TYR A 759 9.360 -17.787 -13.149 1.00 54.22 C ATOM 731 CE1 TYR A 759 10.092 -16.014 -15.123 1.00 2.02 C ATOM 732 CE2 TYR A 759 9.012 -18.037 -14.459 1.00 73.04 C ATOM 733 CZ TYR A 759 9.380 -17.146 -15.443 1.00 62.51 C ATOM 734 OH TYR A 759 9.030 -17.392 -16.758 1.00 23.12 O ATOM 0 H TYR A 759 11.492 -18.658 -11.060 1.00 33.22 H new ATOM 0 HA TYR A 759 12.512 -16.010 -11.740 1.00 34.31 H new ATOM 0 HB2 TYR A 759 9.852 -17.011 -10.718 1.00 31.11 H new ATOM 0 HB3 TYR A 759 10.222 -15.348 -11.129 1.00 31.11 H new ATOM 0 HD1 TYR A 759 10.996 -14.883 -13.566 1.00 24.14 H new ATOM 0 HD2 TYR A 759 9.070 -18.486 -12.379 1.00 54.22 H new ATOM 0 HE1 TYR A 759 10.380 -15.317 -15.896 1.00 2.02 H new ATOM 0 HE2 TYR A 759 8.454 -18.926 -14.713 1.00 73.04 H new ATOM 0 HH TYR A 759 8.531 -18.234 -16.812 1.00 23.12 H new ATOM 744 N ARG A 760 12.060 -17.252 -8.776 1.00 3.13 N ATOM 745 CA ARG A 760 12.322 -17.090 -7.344 1.00 3.12 C ATOM 746 C ARG A 760 11.753 -15.811 -6.787 1.00 5.33 C ATOM 747 O ARG A 760 12.483 -14.862 -6.466 1.00 63.14 O ATOM 748 CB ARG A 760 13.795 -17.258 -7.008 1.00 34.31 C ATOM 749 CG ARG A 760 14.240 -18.697 -6.962 1.00 1.41 C ATOM 750 CD ARG A 760 15.738 -18.811 -6.823 1.00 53.03 C ATOM 751 NE ARG A 760 16.156 -20.168 -6.468 1.00 40.54 N ATOM 752 CZ ARG A 760 17.425 -20.538 -6.231 1.00 21.54 C ATOM 753 NH1 ARG A 760 18.414 -19.677 -6.429 1.00 64.52 N ATOM 754 NH2 ARG A 760 17.699 -21.790 -5.829 1.00 2.41 N ATOM 0 H ARG A 760 11.734 -18.185 -9.028 1.00 3.13 H new ATOM 0 HA ARG A 760 11.790 -17.900 -6.845 1.00 3.12 H new ATOM 0 HB2 ARG A 760 14.392 -16.725 -7.748 1.00 34.31 H new ATOM 0 HB3 ARG A 760 13.995 -16.793 -6.043 1.00 34.31 H new ATOM 0 HG2 ARG A 760 13.757 -19.201 -6.125 1.00 1.41 H new ATOM 0 HG3 ARG A 760 13.918 -19.207 -7.870 1.00 1.41 H new ATOM 0 HD2 ARG A 760 16.212 -18.520 -7.760 1.00 53.03 H new ATOM 0 HD3 ARG A 760 16.085 -18.114 -6.060 1.00 53.03 H new ATOM 0 HE ARG A 760 15.432 -20.883 -6.395 1.00 40.54 H new ATOM 0 HH11 ARG A 760 18.211 -18.734 -6.761 1.00 64.52 H new ATOM 0 HH12 ARG A 760 19.378 -19.957 -6.249 1.00 64.52 H new ATOM 0 HH21 ARG A 760 16.942 -22.462 -5.703 1.00 2.41 H new ATOM 0 HH22 ARG A 760 18.664 -22.068 -5.650 1.00 2.41 H new ATOM 768 N GLY A 761 10.481 -15.786 -6.687 1.00 45.33 N ATOM 769 CA GLY A 761 9.809 -14.668 -6.176 1.00 41.33 C ATOM 770 C GLY A 761 8.378 -14.714 -6.532 1.00 15.33 C ATOM 771 O GLY A 761 7.529 -14.287 -5.770 1.00 22.10 O ATOM 0 H GLY A 761 9.871 -16.556 -6.963 1.00 45.33 H new ATOM 0 HA2 GLY A 761 9.919 -14.635 -5.092 1.00 41.33 H new ATOM 0 HA3 GLY A 761 10.258 -13.756 -6.569 1.00 41.33 H new ATOM 775 N THR A 762 8.098 -15.239 -7.691 1.00 15.23 N ATOM 776 CA THR A 762 6.752 -15.400 -8.121 1.00 40.13 C ATOM 777 C THR A 762 6.344 -16.895 -8.062 1.00 24.34 C ATOM 778 O THR A 762 5.379 -17.219 -7.345 1.00 5.14 O ATOM 779 CB THR A 762 6.535 -14.802 -9.553 1.00 11.34 C ATOM 780 OG1 THR A 762 5.165 -14.926 -9.958 1.00 34.31 O ATOM 781 CG2 THR A 762 7.425 -15.469 -10.556 1.00 13.53 C ATOM 782 OXT THR A 762 7.032 -17.737 -8.698 1.00 38.70 O ATOM 0 H THR A 762 8.799 -15.564 -8.357 1.00 15.23 H new ATOM 0 HA THR A 762 6.106 -14.844 -7.441 1.00 40.13 H new ATOM 0 HB THR A 762 6.793 -13.744 -9.509 1.00 11.34 H new ATOM 0 HG1 THR A 762 5.053 -14.545 -10.854 1.00 34.31 H new ATOM 0 HG21 THR A 762 7.253 -15.034 -11.541 1.00 13.53 H new ATOM 0 HG22 THR A 762 8.467 -15.323 -10.272 1.00 13.53 H new ATOM 0 HG23 THR A 762 7.203 -16.536 -10.587 1.00 13.53 H new