USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=12 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 744 ASN : amide:sc= 0.593 K(o=1.9,f=-11!) USER MOD Set 1.2: A 748 LYS NZ :NH3+ -158:sc= 1.28 (180deg=-0.913) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.015) USER MOD Single : A 725 LYS NZ :NH3+ 140:sc= 2.16 (180deg=1.28) USER MOD Single : A 729 LYS NZ :NH3+ -156:sc= 1.22 (180deg=1.07) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -20:sc= 0.12 USER MOD Single : A 743 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.5) USER MOD Single : A 751 THR OG1 : rot 130:sc= 0.583 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot 180:sc= 0 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 756 ASN : amide:sc=-0.00657 K(o=-0.0066,f=-1.2) 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 2.313 -5.165 0.650 1.00 13.22 N ATOM 24 CA LEU A 717 3.129 -6.222 0.097 1.00 23.33 C ATOM 25 C LEU A 717 3.115 -6.227 -1.421 1.00 20.12 C ATOM 26 O LEU A 717 4.153 -6.405 -2.047 1.00 4.33 O ATOM 27 CB LEU A 717 2.694 -7.567 0.621 1.00 10.44 C ATOM 28 CG LEU A 717 3.411 -8.769 0.016 1.00 74.21 C ATOM 29 CD1 LEU A 717 4.823 -8.878 0.543 1.00 33.30 C ATOM 30 CD2 LEU A 717 2.638 -10.042 0.258 1.00 55.12 C ATOM 0 HA LEU A 717 4.153 -6.027 0.417 1.00 23.33 H new ATOM 0 HB2 LEU A 717 2.843 -7.583 1.701 1.00 10.44 H new ATOM 0 HB3 LEU A 717 1.624 -7.678 0.445 1.00 10.44 H new ATOM 0 HG LEU A 717 3.468 -8.617 -1.062 1.00 74.21 H new ATOM 0 HD11 LEU A 717 5.312 -9.743 0.096 1.00 33.30 H new ATOM 0 HD12 LEU A 717 5.378 -7.975 0.287 1.00 33.30 H new ATOM 0 HD13 LEU A 717 4.799 -8.994 1.627 1.00 33.30 H new ATOM 0 HD21 LEU A 717 3.173 -10.882 -0.184 1.00 55.12 H new ATOM 0 HD22 LEU A 717 2.531 -10.204 1.331 1.00 55.12 H new ATOM 0 HD23 LEU A 717 1.651 -9.960 -0.197 1.00 55.12 H new ATOM 42 N LEU A 718 1.944 -6.013 -2.009 1.00 75.34 N ATOM 43 CA LEU A 718 1.794 -6.072 -3.480 1.00 41.44 C ATOM 44 C LEU A 718 2.714 -5.087 -4.178 1.00 4.33 C ATOM 45 O LEU A 718 3.123 -5.308 -5.300 1.00 30.02 O ATOM 46 CB LEU A 718 0.316 -5.853 -3.936 1.00 31.54 C ATOM 47 CG LEU A 718 -0.290 -4.445 -3.749 1.00 31.11 C ATOM 48 CD1 LEU A 718 -1.571 -4.315 -4.549 1.00 31.11 C ATOM 49 CD2 LEU A 718 -0.565 -4.166 -2.291 1.00 15.33 C ATOM 0 H LEU A 718 1.084 -5.798 -1.505 1.00 75.34 H new ATOM 0 HA LEU A 718 2.084 -7.080 -3.775 1.00 41.44 H new ATOM 0 HB2 LEU A 718 0.249 -6.109 -4.993 1.00 31.54 H new ATOM 0 HB3 LEU A 718 -0.311 -6.563 -3.396 1.00 31.54 H new ATOM 0 HG LEU A 718 0.434 -3.714 -4.110 1.00 31.11 H new ATOM 0 HD11 LEU A 718 -1.988 -3.318 -4.408 1.00 31.11 H new ATOM 0 HD12 LEU A 718 -1.357 -4.473 -5.606 1.00 31.11 H new ATOM 0 HD13 LEU A 718 -2.290 -5.060 -4.208 1.00 31.11 H new ATOM 0 HD21 LEU A 718 -0.991 -3.168 -2.186 1.00 15.33 H new ATOM 0 HD22 LEU A 718 -1.269 -4.904 -1.906 1.00 15.33 H new ATOM 0 HD23 LEU A 718 0.366 -4.224 -1.728 1.00 15.33 H new ATOM 61 N ILE A 719 3.050 -4.016 -3.495 1.00 64.51 N ATOM 62 CA ILE A 719 3.911 -3.021 -4.053 1.00 34.24 C ATOM 63 C ILE A 719 5.358 -3.353 -3.738 1.00 71.25 C ATOM 64 O ILE A 719 6.252 -3.108 -4.543 1.00 43.44 O ATOM 65 CB ILE A 719 3.591 -1.598 -3.499 1.00 2.03 C ATOM 66 CG1 ILE A 719 2.085 -1.346 -3.479 1.00 1.50 C ATOM 67 CG2 ILE A 719 4.296 -0.527 -4.327 1.00 1.54 C ATOM 68 CD1 ILE A 719 1.484 -1.405 -2.094 1.00 52.40 C ATOM 0 H ILE A 719 2.733 -3.819 -2.546 1.00 64.51 H new ATOM 0 HA ILE A 719 3.746 -3.018 -5.130 1.00 34.24 H new ATOM 0 HB ILE A 719 3.961 -1.545 -2.475 1.00 2.03 H new ATOM 0 HG12 ILE A 719 1.882 -0.367 -3.913 1.00 1.50 H new ATOM 0 HG13 ILE A 719 1.592 -2.084 -4.112 1.00 1.50 H new ATOM 0 HG21 ILE A 719 4.060 0.458 -3.924 1.00 1.54 H new ATOM 0 HG22 ILE A 719 5.373 -0.687 -4.287 1.00 1.54 H new ATOM 0 HG23 ILE A 719 3.959 -0.586 -5.362 1.00 1.54 H new ATOM 0 HD11 ILE A 719 0.412 -1.217 -2.154 1.00 52.40 H new ATOM 0 HD12 ILE A 719 1.656 -2.392 -1.665 1.00 52.40 H new ATOM 0 HD13 ILE A 719 1.950 -0.649 -1.463 1.00 52.40 H new ATOM 80 N THR A 720 5.587 -3.938 -2.566 1.00 71.21 N ATOM 81 CA THR A 720 6.923 -4.192 -2.117 1.00 45.11 C ATOM 82 C THR A 720 7.579 -5.298 -2.933 1.00 12.32 C ATOM 83 O THR A 720 8.777 -5.291 -3.134 1.00 64.23 O ATOM 84 CB THR A 720 6.992 -4.494 -0.590 1.00 23.51 C ATOM 85 OG1 THR A 720 8.272 -4.103 -0.075 1.00 62.23 O ATOM 86 CG2 THR A 720 6.777 -5.968 -0.299 1.00 35.31 C ATOM 0 H THR A 720 4.856 -4.239 -1.922 1.00 71.21 H new ATOM 0 HA THR A 720 7.489 -3.274 -2.279 1.00 45.11 H new ATOM 0 HB THR A 720 6.197 -3.926 -0.107 1.00 23.51 H new ATOM 0 HG1 THR A 720 8.310 -4.293 0.886 1.00 62.23 H new ATOM 0 HG21 THR A 720 6.832 -6.138 0.776 1.00 35.31 H new ATOM 0 HG22 THR A 720 5.796 -6.272 -0.664 1.00 35.31 H new ATOM 0 HG23 THR A 720 7.548 -6.554 -0.799 1.00 35.31 H new ATOM 94 N ILE A 721 6.762 -6.241 -3.414 1.00 61.01 N ATOM 95 CA ILE A 721 7.229 -7.297 -4.295 1.00 62.12 C ATOM 96 C ILE A 721 7.868 -6.687 -5.523 1.00 43.42 C ATOM 97 O ILE A 721 8.914 -7.146 -5.995 1.00 1.55 O ATOM 98 CB ILE A 721 6.042 -8.197 -4.750 1.00 31.24 C ATOM 99 CG1 ILE A 721 5.400 -8.896 -3.543 1.00 33.43 C ATOM 100 CG2 ILE A 721 6.496 -9.225 -5.799 1.00 53.21 C ATOM 101 CD1 ILE A 721 4.168 -9.710 -3.886 1.00 20.34 C ATOM 0 H ILE A 721 5.766 -6.287 -3.201 1.00 61.01 H new ATOM 0 HA ILE A 721 7.953 -7.902 -3.750 1.00 62.12 H new ATOM 0 HB ILE A 721 5.292 -7.556 -5.214 1.00 31.24 H new ATOM 0 HG12 ILE A 721 6.138 -9.551 -3.080 1.00 33.43 H new ATOM 0 HG13 ILE A 721 5.131 -8.144 -2.801 1.00 33.43 H new ATOM 0 HG21 ILE A 721 5.647 -9.839 -6.098 1.00 53.21 H new ATOM 0 HG22 ILE A 721 6.892 -8.704 -6.671 1.00 53.21 H new ATOM 0 HG23 ILE A 721 7.272 -9.861 -5.373 1.00 53.21 H new ATOM 0 HD11 ILE A 721 3.774 -10.172 -2.981 1.00 20.34 H new ATOM 0 HD12 ILE A 721 3.410 -9.058 -4.320 1.00 20.34 H new ATOM 0 HD13 ILE A 721 4.433 -10.486 -4.604 1.00 20.34 H new ATOM 113 N HIS A 722 7.259 -5.625 -6.009 1.00 64.23 N ATOM 114 CA HIS A 722 7.696 -4.969 -7.204 1.00 43.12 C ATOM 115 C HIS A 722 9.096 -4.438 -7.043 1.00 22.13 C ATOM 116 O HIS A 722 9.924 -4.544 -7.957 1.00 3.15 O ATOM 117 CB HIS A 722 6.754 -3.838 -7.557 1.00 0.02 C ATOM 118 CG HIS A 722 6.715 -3.549 -8.992 1.00 1.01 C ATOM 119 ND1 HIS A 722 7.062 -2.338 -9.533 1.00 4.11 N ATOM 120 CD2 HIS A 722 6.352 -4.324 -10.013 1.00 73.43 C ATOM 121 CE1 HIS A 722 6.913 -2.387 -10.836 1.00 70.24 C ATOM 122 NE2 HIS A 722 6.481 -3.587 -11.152 1.00 10.31 N ATOM 0 H HIS A 722 6.441 -5.197 -5.575 1.00 64.23 H new ATOM 0 HA HIS A 722 7.694 -5.701 -8.012 1.00 43.12 H new ATOM 0 HB2 HIS A 722 5.750 -4.090 -7.216 1.00 0.02 H new ATOM 0 HB3 HIS A 722 7.057 -2.939 -7.020 1.00 0.02 H new ATOM 0 HD2 HIS A 722 6.017 -5.349 -9.950 1.00 73.43 H new ATOM 0 HE1 HIS A 722 7.111 -1.582 -11.528 1.00 70.24 H new ATOM 0 HE2 HIS A 722 6.276 -3.914 -12.096 1.00 10.31 H new ATOM 131 N ASP A 723 9.374 -3.874 -5.895 1.00 11.32 N ATOM 132 CA ASP A 723 10.702 -3.351 -5.631 1.00 21.11 C ATOM 133 C ASP A 723 11.620 -4.409 -5.089 1.00 11.01 C ATOM 134 O ASP A 723 12.820 -4.272 -5.150 1.00 21.53 O ATOM 135 CB ASP A 723 10.671 -2.159 -4.691 1.00 1.25 C ATOM 136 CG ASP A 723 10.245 -0.873 -5.372 1.00 11.22 C ATOM 137 OD1 ASP A 723 11.137 -0.140 -5.890 1.00 10.02 O ATOM 138 OD2 ASP A 723 9.034 -0.577 -5.399 1.00 74.51 O ATOM 0 H ASP A 723 8.709 -3.763 -5.130 1.00 11.32 H new ATOM 0 HA ASP A 723 11.092 -3.014 -6.592 1.00 21.11 H new ATOM 0 HB2 ASP A 723 9.988 -2.371 -3.868 1.00 1.25 H new ATOM 0 HB3 ASP A 723 11.661 -2.022 -4.256 1.00 1.25 H new ATOM 143 N ARG A 724 11.061 -5.459 -4.557 1.00 5.35 N ATOM 144 CA ARG A 724 11.853 -6.527 -4.028 1.00 71.03 C ATOM 145 C ARG A 724 12.517 -7.322 -5.140 1.00 42.32 C ATOM 146 O ARG A 724 13.691 -7.637 -5.067 1.00 43.51 O ATOM 147 CB ARG A 724 11.023 -7.431 -3.146 1.00 3.35 C ATOM 148 CG ARG A 724 11.835 -8.419 -2.374 1.00 35.44 C ATOM 149 CD ARG A 724 11.032 -9.051 -1.300 1.00 62.30 C ATOM 150 NE ARG A 724 11.871 -9.809 -0.393 1.00 21.43 N ATOM 151 CZ ARG A 724 12.123 -9.459 0.865 1.00 4.14 C ATOM 152 NH1 ARG A 724 11.610 -8.325 1.364 1.00 4.02 N ATOM 153 NH2 ARG A 724 12.897 -10.224 1.623 1.00 61.11 N ATOM 0 H ARG A 724 10.053 -5.596 -4.479 1.00 5.35 H new ATOM 0 HA ARG A 724 12.639 -6.084 -3.417 1.00 71.03 H new ATOM 0 HB2 ARG A 724 10.450 -6.819 -2.449 1.00 3.35 H new ATOM 0 HB3 ARG A 724 10.303 -7.968 -3.764 1.00 3.35 H new ATOM 0 HG2 ARG A 724 12.215 -9.187 -3.048 1.00 35.44 H new ATOM 0 HG3 ARG A 724 12.701 -7.921 -1.939 1.00 35.44 H new ATOM 0 HD2 ARG A 724 10.494 -8.283 -0.745 1.00 62.30 H new ATOM 0 HD3 ARG A 724 10.283 -9.708 -1.742 1.00 62.30 H new ATOM 0 HE ARG A 724 12.296 -10.668 -0.743 1.00 21.43 H new ATOM 0 HH11 ARG A 724 11.025 -7.729 0.778 1.00 4.02 H new ATOM 0 HH12 ARG A 724 11.805 -8.059 2.329 1.00 4.02 H new ATOM 0 HH21 ARG A 724 13.299 -11.080 1.241 1.00 61.11 H new ATOM 0 HH22 ARG A 724 13.091 -9.956 2.588 1.00 61.11 H new ATOM 167 N LYS A 725 11.781 -7.623 -6.156 1.00 62.51 N ATOM 168 CA LYS A 725 12.336 -8.363 -7.264 1.00 41.43 C ATOM 169 C LYS A 725 13.298 -7.494 -8.056 1.00 50.42 C ATOM 170 O LYS A 725 14.291 -7.983 -8.599 1.00 55.35 O ATOM 171 CB LYS A 725 11.229 -8.899 -8.166 1.00 21.24 C ATOM 172 CG LYS A 725 10.159 -9.676 -7.422 1.00 54.22 C ATOM 173 CD LYS A 725 10.753 -10.825 -6.622 1.00 31.24 C ATOM 174 CE LYS A 725 9.717 -11.425 -5.702 1.00 43.31 C ATOM 175 NZ LYS A 725 10.233 -12.580 -4.951 1.00 40.04 N ATOM 0 H LYS A 725 10.797 -7.374 -6.253 1.00 62.51 H new ATOM 0 HA LYS A 725 12.889 -9.213 -6.864 1.00 41.43 H new ATOM 0 HB2 LYS A 725 10.762 -8.064 -8.689 1.00 21.24 H new ATOM 0 HB3 LYS A 725 11.671 -9.543 -8.926 1.00 21.24 H new ATOM 0 HG2 LYS A 725 9.622 -9.005 -6.752 1.00 54.22 H new ATOM 0 HG3 LYS A 725 9.431 -10.066 -8.134 1.00 54.22 H new ATOM 0 HD2 LYS A 725 11.131 -11.590 -7.300 1.00 31.24 H new ATOM 0 HD3 LYS A 725 11.602 -10.468 -6.039 1.00 31.24 H new ATOM 0 HE2 LYS A 725 9.373 -10.664 -5.001 1.00 43.31 H new ATOM 0 HE3 LYS A 725 8.851 -11.734 -6.287 1.00 43.31 H new ATOM 0 HZ1 LYS A 725 9.876 -12.547 -3.975 1.00 40.04 H new ATOM 0 HZ2 LYS A 725 9.916 -13.460 -5.406 1.00 40.04 H new ATOM 0 HZ3 LYS A 725 11.273 -12.551 -4.941 1.00 40.04 H new ATOM 189 N GLU A 726 12.994 -6.208 -8.128 1.00 63.32 N ATOM 190 CA GLU A 726 13.831 -5.273 -8.835 1.00 34.41 C ATOM 191 C GLU A 726 15.085 -4.889 -8.002 1.00 34.50 C ATOM 192 O GLU A 726 16.224 -5.178 -8.386 1.00 41.22 O ATOM 193 CB GLU A 726 13.026 -4.023 -9.184 1.00 11.13 C ATOM 194 CG GLU A 726 13.764 -3.027 -10.044 1.00 4.22 C ATOM 195 CD GLU A 726 12.979 -1.766 -10.253 1.00 61.42 C ATOM 196 OE1 GLU A 726 12.162 -1.714 -11.192 1.00 54.34 O ATOM 197 OE2 GLU A 726 13.169 -0.810 -9.473 1.00 41.51 O ATOM 0 H GLU A 726 12.166 -5.793 -7.700 1.00 63.32 H new ATOM 0 HA GLU A 726 14.177 -5.751 -9.752 1.00 34.41 H new ATOM 0 HB2 GLU A 726 12.114 -4.325 -9.700 1.00 11.13 H new ATOM 0 HB3 GLU A 726 12.722 -3.532 -8.260 1.00 11.13 H new ATOM 0 HG2 GLU A 726 14.719 -2.785 -9.578 1.00 4.22 H new ATOM 0 HG3 GLU A 726 13.986 -3.479 -11.011 1.00 4.22 H new ATOM 204 N PHE A 727 14.848 -4.244 -6.879 1.00 53.45 N ATOM 205 CA PHE A 727 15.905 -3.730 -6.026 1.00 22.52 C ATOM 206 C PHE A 727 16.487 -4.789 -5.092 1.00 1.45 C ATOM 207 O PHE A 727 17.685 -5.054 -5.120 1.00 31.14 O ATOM 208 CB PHE A 727 15.415 -2.515 -5.231 1.00 72.02 C ATOM 209 CG PHE A 727 16.418 -1.979 -4.256 1.00 32.50 C ATOM 210 CD1 PHE A 727 17.734 -1.769 -4.636 1.00 62.12 C ATOM 211 CD2 PHE A 727 16.047 -1.685 -2.963 1.00 44.14 C ATOM 212 CE1 PHE A 727 18.649 -1.280 -3.741 1.00 43.21 C ATOM 213 CE2 PHE A 727 16.958 -1.194 -2.064 1.00 42.14 C ATOM 214 CZ PHE A 727 18.260 -0.991 -2.451 1.00 42.11 C ATOM 0 H PHE A 727 13.909 -4.059 -6.527 1.00 53.45 H new ATOM 0 HA PHE A 727 16.715 -3.421 -6.686 1.00 22.52 H new ATOM 0 HB2 PHE A 727 15.143 -1.723 -5.929 1.00 72.02 H new ATOM 0 HB3 PHE A 727 14.509 -2.789 -4.691 1.00 72.02 H new ATOM 0 HD1 PHE A 727 18.041 -1.993 -5.647 1.00 62.12 H new ATOM 0 HD2 PHE A 727 15.025 -1.843 -2.653 1.00 44.14 H new ATOM 0 HE1 PHE A 727 19.673 -1.121 -4.046 1.00 43.21 H new ATOM 0 HE2 PHE A 727 16.652 -0.967 -1.053 1.00 42.14 H new ATOM 0 HZ PHE A 727 18.979 -0.605 -1.744 1.00 42.11 H new ATOM 224 N ALA A 728 15.631 -5.381 -4.259 1.00 23.11 N ATOM 225 CA ALA A 728 16.087 -6.320 -3.213 1.00 41.13 C ATOM 226 C ALA A 728 16.926 -7.438 -3.783 1.00 24.32 C ATOM 227 O ALA A 728 17.963 -7.750 -3.260 1.00 12.02 O ATOM 228 CB ALA A 728 14.924 -6.881 -2.438 1.00 74.11 C ATOM 0 H ALA A 728 14.622 -5.234 -4.281 1.00 23.11 H new ATOM 0 HA ALA A 728 16.715 -5.748 -2.530 1.00 41.13 H new ATOM 0 HB1 ALA A 728 15.292 -7.568 -1.676 1.00 74.11 H new ATOM 0 HB2 ALA A 728 14.379 -6.067 -1.960 1.00 74.11 H new ATOM 0 HB3 ALA A 728 14.258 -7.414 -3.116 1.00 74.11 H new ATOM 234 N LYS A 729 16.464 -8.019 -4.872 1.00 71.10 N ATOM 235 CA LYS A 729 17.161 -9.098 -5.521 1.00 45.44 C ATOM 236 C LYS A 729 18.585 -8.703 -5.917 1.00 1.33 C ATOM 237 O LYS A 729 19.491 -9.543 -5.956 1.00 44.12 O ATOM 238 CB LYS A 729 16.381 -9.568 -6.732 1.00 3.14 C ATOM 239 CG LYS A 729 15.894 -11.012 -6.657 1.00 53.42 C ATOM 240 CD LYS A 729 17.047 -11.996 -6.745 1.00 32.01 C ATOM 241 CE LYS A 729 17.665 -12.302 -5.381 1.00 2.40 C ATOM 242 NZ LYS A 729 18.762 -13.286 -5.491 1.00 21.31 N ATOM 0 H LYS A 729 15.592 -7.752 -5.329 1.00 71.10 H new ATOM 0 HA LYS A 729 17.241 -9.918 -4.807 1.00 45.44 H new ATOM 0 HB2 LYS A 729 15.519 -8.915 -6.868 1.00 3.14 H new ATOM 0 HB3 LYS A 729 17.008 -9.456 -7.617 1.00 3.14 H new ATOM 0 HG2 LYS A 729 15.354 -11.166 -5.723 1.00 53.42 H new ATOM 0 HG3 LYS A 729 15.190 -11.202 -7.467 1.00 53.42 H new ATOM 0 HD2 LYS A 729 16.694 -12.923 -7.196 1.00 32.01 H new ATOM 0 HD3 LYS A 729 17.815 -11.592 -7.405 1.00 32.01 H new ATOM 0 HE2 LYS A 729 18.044 -11.381 -4.938 1.00 2.40 H new ATOM 0 HE3 LYS A 729 16.896 -12.686 -4.710 1.00 2.40 H new ATOM 0 HZ1 LYS A 729 18.885 -13.772 -4.580 1.00 21.31 H new ATOM 0 HZ2 LYS A 729 18.530 -13.984 -6.226 1.00 21.31 H new ATOM 0 HZ3 LYS A 729 19.644 -12.796 -5.744 1.00 21.31 H new ATOM 256 N PHE A 730 18.773 -7.451 -6.185 1.00 73.34 N ATOM 257 CA PHE A 730 20.056 -6.935 -6.562 1.00 11.22 C ATOM 258 C PHE A 730 20.931 -6.846 -5.354 1.00 51.12 C ATOM 259 O PHE A 730 22.026 -7.403 -5.318 1.00 25.43 O ATOM 260 CB PHE A 730 19.894 -5.548 -7.158 1.00 41.25 C ATOM 261 CG PHE A 730 21.120 -5.034 -7.875 1.00 72.23 C ATOM 262 CD1 PHE A 730 21.344 -5.348 -9.205 1.00 65.12 C ATOM 263 CD2 PHE A 730 22.045 -4.237 -7.214 1.00 74.43 C ATOM 264 CE1 PHE A 730 22.465 -4.878 -9.863 1.00 12.02 C ATOM 265 CE2 PHE A 730 23.166 -3.765 -7.866 1.00 71.31 C ATOM 266 CZ PHE A 730 23.377 -4.086 -9.191 1.00 50.52 C ATOM 0 H PHE A 730 18.035 -6.748 -6.149 1.00 73.34 H new ATOM 0 HA PHE A 730 20.507 -7.600 -7.298 1.00 11.22 H new ATOM 0 HB2 PHE A 730 19.057 -5.561 -7.856 1.00 41.25 H new ATOM 0 HB3 PHE A 730 19.634 -4.851 -6.361 1.00 41.25 H new ATOM 0 HD1 PHE A 730 20.635 -5.967 -9.734 1.00 65.12 H new ATOM 0 HD2 PHE A 730 21.885 -3.983 -6.176 1.00 74.43 H new ATOM 0 HE1 PHE A 730 22.628 -5.129 -10.901 1.00 12.02 H new ATOM 0 HE2 PHE A 730 23.877 -3.145 -7.340 1.00 71.31 H new ATOM 0 HZ PHE A 730 24.254 -3.719 -9.703 1.00 50.52 H new ATOM 276 N GLU A 731 20.424 -6.168 -4.356 1.00 73.50 N ATOM 277 CA GLU A 731 21.152 -5.876 -3.162 1.00 65.10 C ATOM 278 C GLU A 731 21.428 -7.141 -2.338 1.00 12.11 C ATOM 279 O GLU A 731 22.409 -7.201 -1.606 1.00 14.12 O ATOM 280 CB GLU A 731 20.404 -4.832 -2.332 1.00 34.54 C ATOM 281 CG GLU A 731 19.191 -5.372 -1.595 1.00 11.22 C ATOM 282 CD GLU A 731 18.506 -4.336 -0.756 1.00 13.24 C ATOM 283 OE1 GLU A 731 19.208 -3.548 -0.075 1.00 54.50 O ATOM 284 OE2 GLU A 731 17.263 -4.314 -0.736 1.00 65.31 O ATOM 0 H GLU A 731 19.473 -5.799 -4.357 1.00 73.50 H new ATOM 0 HA GLU A 731 22.120 -5.467 -3.450 1.00 65.10 H new ATOM 0 HB2 GLU A 731 21.093 -4.400 -1.606 1.00 34.54 H new ATOM 0 HB3 GLU A 731 20.085 -4.023 -2.989 1.00 34.54 H new ATOM 0 HG2 GLU A 731 18.481 -5.772 -2.319 1.00 11.22 H new ATOM 0 HG3 GLU A 731 19.499 -6.201 -0.958 1.00 11.22 H new ATOM 291 N GLU A 732 20.537 -8.153 -2.467 1.00 41.41 N ATOM 292 CA GLU A 732 20.641 -9.409 -1.707 1.00 14.22 C ATOM 293 C GLU A 732 22.018 -10.058 -1.793 1.00 65.11 C ATOM 294 O GLU A 732 22.434 -10.730 -0.864 1.00 43.14 O ATOM 295 CB GLU A 732 19.550 -10.407 -2.112 1.00 24.40 C ATOM 296 CG GLU A 732 18.200 -10.149 -1.459 1.00 2.11 C ATOM 297 CD GLU A 732 17.236 -11.292 -1.648 1.00 31.41 C ATOM 298 OE1 GLU A 732 16.515 -11.311 -2.654 1.00 22.13 O ATOM 299 OE2 GLU A 732 17.201 -12.203 -0.768 1.00 22.52 O ATOM 0 H GLU A 732 19.735 -8.117 -3.096 1.00 41.41 H new ATOM 0 HA GLU A 732 20.490 -9.131 -0.664 1.00 14.22 H new ATOM 0 HB2 GLU A 732 19.429 -10.378 -3.195 1.00 24.40 H new ATOM 0 HB3 GLU A 732 19.880 -11.414 -1.855 1.00 24.40 H new ATOM 0 HG2 GLU A 732 18.344 -9.973 -0.393 1.00 2.11 H new ATOM 0 HG3 GLU A 732 17.766 -9.240 -1.877 1.00 2.11 H new ATOM 306 N GLU A 733 22.721 -9.852 -2.900 1.00 22.31 N ATOM 307 CA GLU A 733 24.071 -10.404 -3.047 1.00 22.10 C ATOM 308 C GLU A 733 24.988 -9.877 -1.967 1.00 75.52 C ATOM 309 O GLU A 733 25.694 -10.643 -1.308 1.00 71.02 O ATOM 310 CB GLU A 733 24.645 -10.086 -4.414 1.00 24.44 C ATOM 311 CG GLU A 733 23.958 -10.791 -5.540 1.00 41.53 C ATOM 312 CD GLU A 733 24.581 -10.487 -6.872 1.00 50.13 C ATOM 313 OE1 GLU A 733 25.582 -11.145 -7.229 1.00 23.21 O ATOM 314 OE2 GLU A 733 24.075 -9.589 -7.582 1.00 44.42 O ATOM 0 H GLU A 733 22.389 -9.315 -3.701 1.00 22.31 H new ATOM 0 HA GLU A 733 23.997 -11.487 -2.947 1.00 22.10 H new ATOM 0 HB2 GLU A 733 24.585 -9.011 -4.581 1.00 24.44 H new ATOM 0 HB3 GLU A 733 25.702 -10.351 -4.424 1.00 24.44 H new ATOM 0 HG2 GLU A 733 23.989 -11.866 -5.365 1.00 41.53 H new ATOM 0 HG3 GLU A 733 22.907 -10.501 -5.559 1.00 41.53 H new ATOM 321 N ARG A 734 24.976 -8.582 -1.791 1.00 64.33 N ATOM 322 CA ARG A 734 25.775 -7.938 -0.783 1.00 32.34 C ATOM 323 C ARG A 734 25.108 -8.047 0.588 1.00 5.24 C ATOM 324 O ARG A 734 25.772 -8.231 1.591 1.00 40.12 O ATOM 325 CB ARG A 734 25.992 -6.472 -1.152 1.00 43.43 C ATOM 326 CG ARG A 734 26.975 -5.736 -0.266 1.00 71.12 C ATOM 327 CD ARG A 734 28.353 -6.369 -0.322 1.00 0.12 C ATOM 328 NE ARG A 734 29.377 -5.500 0.260 1.00 5.34 N ATOM 329 CZ ARG A 734 30.681 -5.808 0.331 1.00 14.11 C ATOM 330 NH1 ARG A 734 31.105 -7.010 -0.029 1.00 75.24 N ATOM 331 NH2 ARG A 734 31.547 -4.914 0.778 1.00 22.32 N ATOM 0 H ARG A 734 24.409 -7.941 -2.346 1.00 64.33 H new ATOM 0 HA ARG A 734 26.741 -8.439 -0.731 1.00 32.34 H new ATOM 0 HB2 ARG A 734 26.342 -6.419 -2.183 1.00 43.43 H new ATOM 0 HB3 ARG A 734 25.033 -5.956 -1.114 1.00 43.43 H new ATOM 0 HG2 ARG A 734 27.039 -4.694 -0.578 1.00 71.12 H new ATOM 0 HG3 ARG A 734 26.613 -5.739 0.762 1.00 71.12 H new ATOM 0 HD2 ARG A 734 28.338 -7.320 0.211 1.00 0.12 H new ATOM 0 HD3 ARG A 734 28.610 -6.589 -1.358 1.00 0.12 H new ATOM 0 HE ARG A 734 29.079 -4.600 0.637 1.00 5.34 H new ATOM 0 HH11 ARG A 734 30.439 -7.707 -0.362 1.00 75.24 H new ATOM 0 HH12 ARG A 734 32.097 -7.239 0.027 1.00 75.24 H new ATOM 0 HH21 ARG A 734 31.223 -3.991 1.068 1.00 22.32 H new ATOM 0 HH22 ARG A 734 32.538 -5.147 0.832 1.00 22.32 H new ATOM 345 N ALA A 735 23.791 -7.938 0.605 1.00 71.25 N ATOM 346 CA ALA A 735 23.021 -7.973 1.847 1.00 24.14 C ATOM 347 C ALA A 735 23.144 -9.323 2.550 1.00 43.00 C ATOM 348 O ALA A 735 23.466 -9.389 3.741 1.00 44.40 O ATOM 349 CB ALA A 735 21.561 -7.642 1.577 1.00 14.43 C ATOM 0 H ALA A 735 23.223 -7.823 -0.234 1.00 71.25 H new ATOM 0 HA ALA A 735 23.436 -7.217 2.514 1.00 24.14 H new ATOM 0 HB1 ALA A 735 21.002 -7.673 2.512 1.00 14.43 H new ATOM 0 HB2 ALA A 735 21.488 -6.645 1.143 1.00 14.43 H new ATOM 0 HB3 ALA A 735 21.145 -8.371 0.882 1.00 14.43 H new ATOM 355 N ARG A 736 22.908 -10.397 1.814 1.00 5.13 N ATOM 356 CA ARG A 736 22.977 -11.734 2.389 1.00 41.41 C ATOM 357 C ARG A 736 24.433 -12.118 2.694 1.00 64.32 C ATOM 358 O ARG A 736 24.699 -13.006 3.496 1.00 63.15 O ATOM 359 CB ARG A 736 22.338 -12.775 1.453 1.00 3.51 C ATOM 360 CG ARG A 736 22.251 -14.147 2.063 1.00 30.45 C ATOM 361 CD ARG A 736 21.876 -15.209 1.066 1.00 22.51 C ATOM 362 NE ARG A 736 21.862 -16.527 1.697 1.00 20.35 N ATOM 363 CZ ARG A 736 22.504 -17.609 1.237 1.00 24.32 C ATOM 364 NH1 ARG A 736 23.127 -17.583 0.062 1.00 50.15 N ATOM 365 NH2 ARG A 736 22.502 -18.718 1.952 1.00 72.44 N ATOM 0 H ARG A 736 22.668 -10.372 0.823 1.00 5.13 H new ATOM 0 HA ARG A 736 22.414 -11.724 3.322 1.00 41.41 H new ATOM 0 HB2 ARG A 736 21.337 -12.442 1.180 1.00 3.51 H new ATOM 0 HB3 ARG A 736 22.918 -12.830 0.532 1.00 3.51 H new ATOM 0 HG2 ARG A 736 23.211 -14.401 2.512 1.00 30.45 H new ATOM 0 HG3 ARG A 736 21.516 -14.135 2.867 1.00 30.45 H new ATOM 0 HD2 ARG A 736 20.894 -14.991 0.646 1.00 22.51 H new ATOM 0 HD3 ARG A 736 22.585 -15.204 0.238 1.00 22.51 H new ATOM 0 HE ARG A 736 21.321 -16.631 2.555 1.00 20.35 H new ATOM 0 HH11 ARG A 736 23.120 -16.732 -0.500 1.00 50.15 H new ATOM 0 HH12 ARG A 736 23.612 -18.414 -0.277 1.00 50.15 H new ATOM 0 HH21 ARG A 736 22.014 -18.747 2.847 1.00 72.44 H new ATOM 0 HH22 ARG A 736 22.988 -19.547 1.609 1.00 72.44 H new ATOM 379 N ALA A 737 25.357 -11.409 2.073 1.00 41.04 N ATOM 380 CA ALA A 737 26.796 -11.673 2.224 1.00 15.05 C ATOM 381 C ALA A 737 27.274 -11.383 3.641 1.00 5.33 C ATOM 382 O ALA A 737 28.366 -11.774 4.029 1.00 44.13 O ATOM 383 CB ALA A 737 27.559 -10.815 1.262 1.00 73.24 C ATOM 0 H ALA A 737 25.143 -10.632 1.448 1.00 41.04 H new ATOM 0 HA ALA A 737 26.970 -12.729 2.016 1.00 15.05 H new ATOM 0 HB1 ALA A 737 28.626 -11.007 1.370 1.00 73.24 H new ATOM 0 HB2 ALA A 737 27.250 -11.048 0.243 1.00 73.24 H new ATOM 0 HB3 ALA A 737 27.357 -9.765 1.472 1.00 73.24 H new ATOM 389 N LYS A 738 26.461 -10.708 4.389 1.00 10.41 N ATOM 390 CA LYS A 738 26.833 -10.257 5.692 1.00 4.44 C ATOM 391 C LYS A 738 25.703 -10.421 6.681 1.00 11.21 C ATOM 392 O LYS A 738 25.931 -10.706 7.848 1.00 62.50 O ATOM 393 CB LYS A 738 27.328 -8.787 5.623 1.00 21.41 C ATOM 394 CG LYS A 738 26.643 -7.936 4.542 1.00 42.33 C ATOM 395 CD LYS A 738 27.208 -6.523 4.491 1.00 34.43 C ATOM 396 CE LYS A 738 28.688 -6.527 4.118 1.00 72.44 C ATOM 397 NZ LYS A 738 29.234 -5.159 4.018 1.00 72.14 N ATOM 0 H LYS A 738 25.513 -10.452 4.111 1.00 10.41 H new ATOM 0 HA LYS A 738 27.653 -10.878 6.051 1.00 4.44 H new ATOM 0 HB2 LYS A 738 27.168 -8.317 6.593 1.00 21.41 H new ATOM 0 HB3 LYS A 738 28.403 -8.787 5.441 1.00 21.41 H new ATOM 0 HG2 LYS A 738 26.769 -8.413 3.570 1.00 42.33 H new ATOM 0 HG3 LYS A 738 25.572 -7.892 4.739 1.00 42.33 H new ATOM 0 HD2 LYS A 738 26.650 -5.933 3.764 1.00 34.43 H new ATOM 0 HD3 LYS A 738 27.077 -6.042 5.460 1.00 34.43 H new ATOM 0 HE2 LYS A 738 29.249 -7.088 4.865 1.00 72.44 H new ATOM 0 HE3 LYS A 738 28.821 -7.042 3.166 1.00 72.44 H new ATOM 0 HZ1 LYS A 738 30.241 -5.205 3.763 1.00 72.14 H new ATOM 0 HZ2 LYS A 738 28.716 -4.631 3.287 1.00 72.14 H new ATOM 0 HZ3 LYS A 738 29.130 -4.676 4.933 1.00 72.14 H new ATOM 411 N TRP A 739 24.479 -10.253 6.212 1.00 51.41 N ATOM 412 CA TRP A 739 23.314 -10.324 7.081 1.00 43.33 C ATOM 413 C TRP A 739 22.279 -11.252 6.509 1.00 63.45 C ATOM 414 O TRP A 739 21.087 -10.919 6.423 1.00 71.25 O ATOM 415 CB TRP A 739 22.740 -8.940 7.276 1.00 44.25 C ATOM 416 CG TRP A 739 23.707 -8.017 7.925 1.00 1.10 C ATOM 417 CD1 TRP A 739 24.832 -7.505 7.369 1.00 42.12 C ATOM 418 CD2 TRP A 739 23.645 -7.502 9.241 1.00 60.01 C ATOM 419 NE1 TRP A 739 25.493 -6.746 8.253 1.00 22.14 N ATOM 420 CE2 TRP A 739 24.779 -6.699 9.420 1.00 1.13 C ATOM 421 CE3 TRP A 739 22.743 -7.643 10.289 1.00 71.52 C ATOM 422 CZ2 TRP A 739 25.043 -6.033 10.613 1.00 4.30 C ATOM 423 CZ3 TRP A 739 22.998 -6.982 11.476 1.00 2.32 C ATOM 424 CH2 TRP A 739 24.139 -6.184 11.628 1.00 31.32 C ATOM 0 H TRP A 739 24.264 -10.066 5.233 1.00 51.41 H new ATOM 0 HA TRP A 739 23.620 -10.720 8.049 1.00 43.33 H new ATOM 0 HB2 TRP A 739 22.444 -8.532 6.310 1.00 44.25 H new ATOM 0 HB3 TRP A 739 21.838 -9.005 7.885 1.00 44.25 H new ATOM 0 HD1 TRP A 739 25.152 -7.684 6.353 1.00 42.12 H new ATOM 0 HE1 TRP A 739 26.384 -6.279 8.084 1.00 22.14 H new ATOM 0 HE3 TRP A 739 21.861 -8.256 10.178 1.00 71.52 H new ATOM 0 HZ2 TRP A 739 25.926 -5.422 10.732 1.00 4.30 H new ATOM 0 HZ3 TRP A 739 22.306 -7.083 12.299 1.00 2.32 H new ATOM 0 HH2 TRP A 739 24.308 -5.677 12.567 1.00 31.32 H new ATOM 435 N ASP A 740 22.723 -12.410 6.122 1.00 35.23 N ATOM 436 CA ASP A 740 21.860 -13.452 5.588 1.00 25.20 C ATOM 437 C ASP A 740 20.762 -13.846 6.582 1.00 53.10 C ATOM 438 O ASP A 740 19.652 -14.174 6.187 1.00 71.12 O ATOM 439 CB ASP A 740 22.687 -14.688 5.182 1.00 21.21 C ATOM 440 CG ASP A 740 23.170 -15.530 6.342 1.00 23.44 C ATOM 441 OD1 ASP A 740 24.064 -15.075 7.084 1.00 65.00 O ATOM 442 OD2 ASP A 740 22.676 -16.658 6.497 1.00 75.42 O ATOM 0 H ASP A 740 23.707 -12.674 6.164 1.00 35.23 H new ATOM 0 HA ASP A 740 21.372 -13.048 4.701 1.00 25.20 H new ATOM 0 HB2 ASP A 740 22.084 -15.312 4.523 1.00 21.21 H new ATOM 0 HB3 ASP A 740 23.551 -14.358 4.605 1.00 21.21 H new ATOM 447 N THR A 741 21.073 -13.783 7.855 1.00 33.03 N ATOM 448 CA THR A 741 20.117 -14.134 8.883 1.00 41.25 C ATOM 449 C THR A 741 19.114 -12.980 9.126 1.00 22.24 C ATOM 450 O THR A 741 18.070 -13.169 9.741 1.00 41.54 O ATOM 451 CB THR A 741 20.835 -14.506 10.230 1.00 21.14 C ATOM 452 OG1 THR A 741 19.873 -14.992 11.191 1.00 53.01 O ATOM 453 CG2 THR A 741 21.552 -13.296 10.813 1.00 62.03 C ATOM 0 H THR A 741 21.985 -13.491 8.207 1.00 33.03 H new ATOM 0 HA THR A 741 19.570 -15.008 8.529 1.00 41.25 H new ATOM 0 HB THR A 741 21.566 -15.285 10.016 1.00 21.14 H new ATOM 0 HG1 THR A 741 18.976 -14.692 10.936 1.00 53.01 H new ATOM 0 HG21 THR A 741 22.042 -13.578 11.745 1.00 62.03 H new ATOM 0 HG22 THR A 741 22.299 -12.939 10.104 1.00 62.03 H new ATOM 0 HG23 THR A 741 20.829 -12.504 11.008 1.00 62.03 H new ATOM 461 N ALA A 742 19.438 -11.806 8.626 1.00 71.24 N ATOM 462 CA ALA A 742 18.622 -10.635 8.867 1.00 42.41 C ATOM 463 C ALA A 742 17.726 -10.323 7.678 1.00 71.03 C ATOM 464 O ALA A 742 16.551 -9.976 7.843 1.00 4.13 O ATOM 465 CB ALA A 742 19.497 -9.444 9.205 1.00 1.14 C ATOM 0 H ALA A 742 20.262 -11.637 8.049 1.00 71.24 H new ATOM 0 HA ALA A 742 17.975 -10.848 9.718 1.00 42.41 H new ATOM 0 HB1 ALA A 742 18.870 -8.571 9.384 1.00 1.14 H new ATOM 0 HB2 ALA A 742 20.079 -9.662 10.101 1.00 1.14 H new ATOM 0 HB3 ALA A 742 20.173 -9.241 8.374 1.00 1.14 H new ATOM 471 N ASN A 743 18.274 -10.452 6.487 1.00 5.55 N ATOM 472 CA ASN A 743 17.531 -10.138 5.255 1.00 11.22 C ATOM 473 C ASN A 743 16.678 -11.292 4.822 1.00 34.21 C ATOM 474 O ASN A 743 15.685 -11.117 4.127 1.00 75.22 O ATOM 475 CB ASN A 743 18.489 -9.767 4.111 1.00 45.13 C ATOM 476 CG ASN A 743 19.276 -8.517 4.379 1.00 71.50 C ATOM 477 OD1 ASN A 743 18.830 -7.419 4.085 1.00 40.02 O ATOM 478 ND2 ASN A 743 20.442 -8.672 4.920 1.00 3.53 N ATOM 0 H ASN A 743 19.230 -10.771 6.332 1.00 5.55 H new ATOM 0 HA ASN A 743 16.890 -9.286 5.480 1.00 11.22 H new ATOM 0 HB2 ASN A 743 19.179 -10.594 3.942 1.00 45.13 H new ATOM 0 HB3 ASN A 743 17.915 -9.637 3.193 1.00 45.13 H new ATOM 0 HD21 ASN A 743 21.025 -7.859 5.116 1.00 3.53 H new ATOM 0 HD22 ASN A 743 20.777 -9.607 5.150 1.00 3.53 H new ATOM 485 N ASN A 744 17.052 -12.460 5.224 1.00 24.12 N ATOM 486 CA ASN A 744 16.397 -13.653 4.773 1.00 22.45 C ATOM 487 C ASN A 744 15.820 -14.433 5.947 1.00 23.34 C ATOM 488 O ASN A 744 16.411 -14.464 7.028 1.00 2.50 O ATOM 489 CB ASN A 744 17.371 -14.513 3.952 1.00 72.41 C ATOM 490 CG ASN A 744 17.734 -13.887 2.584 1.00 21.13 C ATOM 491 OD1 ASN A 744 18.855 -14.042 2.089 1.00 14.34 O ATOM 492 ND2 ASN A 744 16.794 -13.198 1.974 1.00 41.05 N ATOM 0 H ASN A 744 17.821 -12.620 5.875 1.00 24.12 H new ATOM 0 HA ASN A 744 15.564 -13.373 4.128 1.00 22.45 H new ATOM 0 HB2 ASN A 744 18.284 -14.666 4.528 1.00 72.41 H new ATOM 0 HB3 ASN A 744 16.929 -15.496 3.789 1.00 72.41 H new ATOM 0 HD21 ASN A 744 16.981 -12.773 1.066 1.00 41.05 H new ATOM 0 HD22 ASN A 744 15.878 -13.088 2.409 1.00 41.05 H new ATOM 499 N PRO A 745 14.641 -15.062 5.751 1.00 3.25 N ATOM 500 CA PRO A 745 13.909 -15.764 6.834 1.00 42.44 C ATOM 501 C PRO A 745 14.502 -17.139 7.171 1.00 61.32 C ATOM 502 O PRO A 745 14.349 -17.635 8.284 1.00 41.01 O ATOM 503 CB PRO A 745 12.517 -15.936 6.232 1.00 10.12 C ATOM 504 CG PRO A 745 12.763 -16.054 4.763 1.00 41.22 C ATOM 505 CD PRO A 745 13.909 -15.131 4.461 1.00 43.24 C ATOM 0 HA PRO A 745 13.942 -15.209 7.772 1.00 42.44 H new ATOM 0 HB2 PRO A 745 12.020 -16.823 6.625 1.00 10.12 H new ATOM 0 HB3 PRO A 745 11.876 -15.084 6.461 1.00 10.12 H new ATOM 0 HG2 PRO A 745 13.006 -17.081 4.489 1.00 41.22 H new ATOM 0 HG3 PRO A 745 11.876 -15.774 4.195 1.00 41.22 H new ATOM 0 HD2 PRO A 745 14.539 -15.520 3.661 1.00 43.24 H new ATOM 0 HD3 PRO A 745 13.561 -14.148 4.143 1.00 43.24 H new ATOM 513 N LEU A 746 15.168 -17.724 6.224 1.00 24.02 N ATOM 514 CA LEU A 746 15.682 -19.077 6.365 1.00 31.21 C ATOM 515 C LEU A 746 16.886 -19.253 5.546 1.00 51.42 C ATOM 516 O LEU A 746 17.913 -19.775 6.010 1.00 1.22 O ATOM 517 CB LEU A 746 14.602 -20.100 5.948 1.00 14.43 C ATOM 518 CG LEU A 746 15.046 -21.566 5.859 1.00 33.55 C ATOM 519 CD1 LEU A 746 15.572 -22.056 7.204 1.00 12.11 C ATOM 520 CD2 LEU A 746 13.896 -22.441 5.385 1.00 34.13 C ATOM 0 H LEU A 746 15.378 -17.288 5.326 1.00 24.02 H new ATOM 0 HA LEU A 746 15.944 -19.244 7.410 1.00 31.21 H new ATOM 0 HB2 LEU A 746 13.778 -20.036 6.659 1.00 14.43 H new ATOM 0 HB3 LEU A 746 14.208 -19.803 4.976 1.00 14.43 H new ATOM 0 HG LEU A 746 15.856 -21.634 5.133 1.00 33.55 H new ATOM 0 HD11 LEU A 746 15.881 -23.098 7.116 1.00 12.11 H new ATOM 0 HD12 LEU A 746 16.426 -21.448 7.504 1.00 12.11 H new ATOM 0 HD13 LEU A 746 14.786 -21.973 7.954 1.00 12.11 H new ATOM 0 HD21 LEU A 746 14.227 -23.478 5.327 1.00 34.13 H new ATOM 0 HD22 LEU A 746 13.066 -22.364 6.088 1.00 34.13 H new ATOM 0 HD23 LEU A 746 13.569 -22.109 4.400 1.00 34.13 H new ATOM 556 N LYS A 748 16.568 -17.851 1.841 1.00 71.22 N ATOM 557 CA LYS A 748 16.207 -16.884 0.880 1.00 24.55 C ATOM 558 C LYS A 748 14.714 -16.611 1.004 1.00 10.41 C ATOM 559 O LYS A 748 14.048 -17.196 1.859 1.00 51.25 O ATOM 560 CB LYS A 748 16.491 -17.444 -0.516 1.00 31.44 C ATOM 561 CG LYS A 748 17.968 -17.670 -0.858 1.00 4.15 C ATOM 562 CD LYS A 748 18.825 -16.489 -0.490 1.00 23.12 C ATOM 563 CE LYS A 748 18.367 -15.225 -1.176 1.00 23.45 C ATOM 564 NZ LYS A 748 19.069 -14.043 -0.664 1.00 14.21 N ATOM 0 HA LYS A 748 16.774 -15.966 1.037 1.00 24.55 H new ATOM 0 HB2 LYS A 748 15.965 -18.393 -0.620 1.00 31.44 H new ATOM 0 HB3 LYS A 748 16.067 -16.762 -1.253 1.00 31.44 H new ATOM 0 HG2 LYS A 748 18.329 -18.555 -0.335 1.00 4.15 H new ATOM 0 HG3 LYS A 748 18.066 -17.869 -1.925 1.00 4.15 H new ATOM 0 HD2 LYS A 748 18.800 -16.345 0.590 1.00 23.12 H new ATOM 0 HD3 LYS A 748 19.861 -16.694 -0.761 1.00 23.12 H new ATOM 0 HE2 LYS A 748 18.536 -15.312 -2.249 1.00 23.45 H new ATOM 0 HE3 LYS A 748 17.294 -15.101 -1.032 1.00 23.45 H new ATOM 0 HZ1 LYS A 748 18.504 -13.192 -0.859 1.00 14.21 H new ATOM 0 HZ2 LYS A 748 19.207 -14.139 0.362 1.00 14.21 H new ATOM 0 HZ3 LYS A 748 19.994 -13.959 -1.132 1.00 14.21 H new ATOM 578 N GLU A 749 14.191 -15.741 0.162 1.00 55.41 N ATOM 579 CA GLU A 749 12.740 -15.548 0.082 1.00 40.31 C ATOM 580 C GLU A 749 12.138 -16.629 -0.776 1.00 51.25 C ATOM 581 O GLU A 749 11.062 -17.162 -0.481 1.00 42.13 O ATOM 582 CB GLU A 749 12.376 -14.144 -0.485 1.00 14.44 C ATOM 583 CG GLU A 749 10.928 -14.031 -0.947 1.00 2.10 C ATOM 584 CD GLU A 749 10.522 -12.633 -1.282 1.00 41.13 C ATOM 585 OE1 GLU A 749 10.908 -12.131 -2.364 1.00 41.12 O ATOM 586 OE2 GLU A 749 9.804 -12.015 -0.465 1.00 61.12 O ATOM 0 H GLU A 749 14.735 -15.158 -0.474 1.00 55.41 H new ATOM 0 HA GLU A 749 12.331 -15.608 1.091 1.00 40.31 H new ATOM 0 HB2 GLU A 749 12.564 -13.392 0.281 1.00 14.44 H new ATOM 0 HB3 GLU A 749 13.035 -13.917 -1.323 1.00 14.44 H new ATOM 0 HG2 GLU A 749 10.783 -14.664 -1.823 1.00 2.10 H new ATOM 0 HG3 GLU A 749 10.273 -14.414 -0.164 1.00 2.10 H new ATOM 593 N ALA A 750 12.861 -16.988 -1.818 1.00 71.33 N ATOM 594 CA ALA A 750 12.414 -17.981 -2.763 1.00 52.14 C ATOM 595 C ALA A 750 12.329 -19.368 -2.127 1.00 63.24 C ATOM 596 O ALA A 750 11.741 -20.278 -2.697 1.00 62.52 O ATOM 597 CB ALA A 750 13.327 -18.006 -3.964 1.00 70.41 C ATOM 0 H ALA A 750 13.778 -16.595 -2.030 1.00 71.33 H new ATOM 0 HA ALA A 750 11.410 -17.706 -3.085 1.00 52.14 H new ATOM 0 HB1 ALA A 750 12.979 -18.760 -4.670 1.00 70.41 H new ATOM 0 HB2 ALA A 750 13.322 -17.028 -4.445 1.00 70.41 H new ATOM 0 HB3 ALA A 750 14.341 -18.248 -3.645 1.00 70.41 H new ATOM 603 N THR A 751 12.909 -19.509 -0.938 1.00 4.42 N ATOM 604 CA THR A 751 12.897 -20.765 -0.209 1.00 32.44 C ATOM 605 C THR A 751 11.450 -21.223 0.069 1.00 33.01 C ATOM 606 O THR A 751 11.130 -22.406 -0.034 1.00 61.34 O ATOM 607 CB THR A 751 13.643 -20.615 1.127 1.00 35.02 C ATOM 608 OG1 THR A 751 14.889 -19.943 0.902 1.00 42.45 O ATOM 609 CG2 THR A 751 13.917 -21.973 1.741 1.00 51.05 C ATOM 0 H THR A 751 13.399 -18.754 -0.457 1.00 4.42 H new ATOM 0 HA THR A 751 13.397 -21.513 -0.824 1.00 32.44 H new ATOM 0 HB THR A 751 13.021 -20.037 1.810 1.00 35.02 H new ATOM 0 HG1 THR A 751 14.978 -19.199 1.533 1.00 42.45 H new ATOM 0 HG21 THR A 751 14.446 -21.845 2.686 1.00 51.05 H new ATOM 0 HG22 THR A 751 12.973 -22.488 1.920 1.00 51.05 H new ATOM 0 HG23 THR A 751 14.529 -22.564 1.060 1.00 51.05 H new ATOM 617 N SER A 752 10.593 -20.280 0.406 1.00 23.31 N ATOM 618 CA SER A 752 9.210 -20.587 0.683 1.00 41.34 C ATOM 619 C SER A 752 8.355 -20.482 -0.591 1.00 32.31 C ATOM 620 O SER A 752 7.183 -20.861 -0.599 1.00 60.42 O ATOM 621 CB SER A 752 8.671 -19.644 1.764 1.00 32.15 C ATOM 622 OG SER A 752 9.486 -19.698 2.937 1.00 33.23 O ATOM 0 H SER A 752 10.834 -19.293 0.494 1.00 23.31 H new ATOM 0 HA SER A 752 9.152 -21.614 1.044 1.00 41.34 H new ATOM 0 HB2 SER A 752 8.643 -18.624 1.382 1.00 32.15 H new ATOM 0 HB3 SER A 752 7.646 -19.919 2.015 1.00 32.15 H new ATOM 0 HG SER A 752 9.126 -19.088 3.614 1.00 33.23 H new ATOM 628 N THR A 753 8.938 -19.963 -1.645 1.00 65.02 N ATOM 629 CA THR A 753 8.229 -19.787 -2.889 1.00 75.22 C ATOM 630 C THR A 753 8.406 -21.009 -3.820 1.00 15.22 C ATOM 631 O THR A 753 7.429 -21.578 -4.314 1.00 12.25 O ATOM 632 CB THR A 753 8.703 -18.525 -3.619 1.00 33.14 C ATOM 633 OG1 THR A 753 8.862 -17.456 -2.673 1.00 12.51 O ATOM 634 CG2 THR A 753 7.685 -18.110 -4.666 1.00 54.22 C ATOM 0 H THR A 753 9.910 -19.653 -1.665 1.00 65.02 H new ATOM 0 HA THR A 753 7.173 -19.684 -2.640 1.00 75.22 H new ATOM 0 HB THR A 753 9.654 -18.738 -4.106 1.00 33.14 H new ATOM 0 HG1 THR A 753 9.167 -16.649 -3.139 1.00 12.51 H new ATOM 0 HG21 THR A 753 8.034 -17.213 -5.177 1.00 54.22 H new ATOM 0 HG22 THR A 753 7.560 -18.915 -5.391 1.00 54.22 H new ATOM 0 HG23 THR A 753 6.730 -17.904 -4.183 1.00 54.22 H new ATOM 642 N PHE A 754 9.651 -21.397 -4.043 1.00 61.53 N ATOM 643 CA PHE A 754 9.975 -22.470 -4.983 1.00 15.32 C ATOM 644 C PHE A 754 10.891 -23.497 -4.322 1.00 15.14 C ATOM 645 O PHE A 754 10.972 -23.568 -3.089 1.00 12.24 O ATOM 646 CB PHE A 754 10.665 -21.892 -6.229 1.00 22.15 C ATOM 647 CG PHE A 754 9.896 -20.807 -6.922 1.00 52.31 C ATOM 648 CD1 PHE A 754 8.677 -21.072 -7.515 1.00 75.01 C ATOM 649 CD2 PHE A 754 10.400 -19.519 -6.983 1.00 2.43 C ATOM 650 CE1 PHE A 754 7.972 -20.076 -8.157 1.00 63.13 C ATOM 651 CE2 PHE A 754 9.703 -18.518 -7.622 1.00 23.22 C ATOM 652 CZ PHE A 754 8.486 -18.797 -8.210 1.00 31.45 C ATOM 0 H PHE A 754 10.463 -20.984 -3.584 1.00 61.53 H new ATOM 0 HA PHE A 754 9.048 -22.960 -5.280 1.00 15.32 H new ATOM 0 HB2 PHE A 754 11.640 -21.500 -5.939 1.00 22.15 H new ATOM 0 HB3 PHE A 754 10.844 -22.701 -6.937 1.00 22.15 H new ATOM 0 HD1 PHE A 754 8.271 -22.072 -7.475 1.00 75.01 H new ATOM 0 HD2 PHE A 754 11.352 -19.297 -6.524 1.00 2.43 H new ATOM 0 HE1 PHE A 754 7.020 -20.297 -8.617 1.00 63.13 H new ATOM 0 HE2 PHE A 754 10.108 -17.517 -7.663 1.00 23.22 H new ATOM 0 HZ PHE A 754 7.936 -18.014 -8.711 1.00 31.45 H new ATOM 662 N THR A 755 11.579 -24.287 -5.132 1.00 61.20 N ATOM 663 CA THR A 755 12.477 -25.292 -4.614 1.00 25.53 C ATOM 664 C THR A 755 13.954 -25.020 -5.023 1.00 1.44 C ATOM 665 O THR A 755 14.871 -25.189 -4.209 1.00 71.23 O ATOM 666 CB THR A 755 12.041 -26.750 -5.023 1.00 50.31 C ATOM 667 OG1 THR A 755 12.996 -27.710 -4.537 1.00 72.00 O ATOM 668 CG2 THR A 755 11.900 -26.883 -6.537 1.00 34.20 C ATOM 0 H THR A 755 11.529 -24.247 -6.150 1.00 61.20 H new ATOM 0 HA THR A 755 12.415 -25.225 -3.528 1.00 25.53 H new ATOM 0 HB THR A 755 11.069 -26.946 -4.571 1.00 50.31 H new ATOM 0 HG1 THR A 755 12.714 -28.612 -4.796 1.00 72.00 H new ATOM 0 HG21 THR A 755 11.598 -27.900 -6.786 1.00 34.20 H new ATOM 0 HG22 THR A 755 11.145 -26.183 -6.895 1.00 34.20 H new ATOM 0 HG23 THR A 755 12.856 -26.661 -7.012 1.00 34.20 H new ATOM 676 N ASN A 756 14.169 -24.586 -6.256 1.00 24.53 N ATOM 677 CA ASN A 756 15.517 -24.328 -6.743 1.00 23.11 C ATOM 678 C ASN A 756 15.498 -23.423 -7.943 1.00 33.22 C ATOM 679 O ASN A 756 15.032 -23.808 -9.013 1.00 62.52 O ATOM 680 CB ASN A 756 16.218 -25.617 -7.090 1.00 63.35 C ATOM 681 CG ASN A 756 17.676 -25.394 -7.354 1.00 44.25 C ATOM 682 OD1 ASN A 756 18.292 -24.489 -6.789 1.00 5.32 O ATOM 683 ND2 ASN A 756 18.227 -26.177 -8.179 1.00 63.44 N ATOM 0 H ASN A 756 13.430 -24.405 -6.936 1.00 24.53 H new ATOM 0 HA ASN A 756 16.064 -23.831 -5.941 1.00 23.11 H new ATOM 0 HB2 ASN A 756 16.100 -26.328 -6.273 1.00 63.35 H new ATOM 0 HB3 ASN A 756 15.751 -26.061 -7.969 1.00 63.35 H new ATOM 0 HD21 ASN A 756 19.218 -26.072 -8.398 1.00 63.44 H new ATOM 0 HD22 ASN A 756 17.681 -26.914 -8.625 1.00 63.44 H new ATOM 690 N ILE A 757 15.988 -22.217 -7.770 1.00 63.31 N ATOM 691 CA ILE A 757 16.030 -21.250 -8.851 1.00 10.13 C ATOM 692 C ILE A 757 17.426 -20.695 -8.983 1.00 41.52 C ATOM 693 O ILE A 757 18.160 -20.606 -7.996 1.00 50.14 O ATOM 694 CB ILE A 757 15.053 -20.034 -8.614 1.00 5.01 C ATOM 695 CG1 ILE A 757 13.776 -20.446 -7.863 1.00 73.04 C ATOM 696 CG2 ILE A 757 14.698 -19.369 -9.936 1.00 31.20 C ATOM 697 CD1 ILE A 757 13.946 -20.537 -6.353 1.00 53.05 C ATOM 0 H ILE A 757 16.366 -21.877 -6.886 1.00 63.31 H new ATOM 0 HA ILE A 757 15.720 -21.778 -9.753 1.00 10.13 H new ATOM 0 HB ILE A 757 15.581 -19.319 -7.983 1.00 5.01 H new ATOM 0 HG12 ILE A 757 12.988 -19.727 -8.087 1.00 73.04 H new ATOM 0 HG13 ILE A 757 13.442 -21.413 -8.239 1.00 73.04 H new ATOM 0 HG21 ILE A 757 14.023 -18.533 -9.753 1.00 31.20 H new ATOM 0 HG22 ILE A 757 15.606 -19.004 -10.415 1.00 31.20 H new ATOM 0 HG23 ILE A 757 14.209 -20.093 -10.588 1.00 31.20 H new ATOM 0 HD11 ILE A 757 13.001 -20.833 -5.898 1.00 53.05 H new ATOM 0 HD12 ILE A 757 14.710 -21.278 -6.117 1.00 53.05 H new ATOM 0 HD13 ILE A 757 14.249 -19.566 -5.962 1.00 53.05 H new ATOM 709 N THR A 758 17.786 -20.309 -10.169 1.00 24.13 N ATOM 710 CA THR A 758 19.075 -19.737 -10.413 1.00 53.23 C ATOM 711 C THR A 758 19.107 -18.250 -9.979 1.00 70.25 C ATOM 712 O THR A 758 20.170 -17.683 -9.743 1.00 51.40 O ATOM 713 CB THR A 758 19.473 -19.878 -11.903 1.00 71.42 C ATOM 714 OG1 THR A 758 20.893 -19.734 -12.049 1.00 65.41 O ATOM 715 CG2 THR A 758 18.763 -18.838 -12.777 1.00 62.35 C ATOM 0 H THR A 758 17.194 -20.382 -10.996 1.00 24.13 H new ATOM 0 HA THR A 758 19.803 -20.285 -9.815 1.00 53.23 H new ATOM 0 HB THR A 758 19.166 -20.870 -12.234 1.00 71.42 H new ATOM 0 HG1 THR A 758 21.136 -19.826 -12.994 1.00 65.41 H new ATOM 0 HG21 THR A 758 19.067 -18.967 -13.816 1.00 62.35 H new ATOM 0 HG22 THR A 758 17.684 -18.970 -12.695 1.00 62.35 H new ATOM 0 HG23 THR A 758 19.033 -17.836 -12.442 1.00 62.35 H new ATOM 723 N TYR A 759 17.931 -17.640 -9.871 1.00 34.44 N ATOM 724 CA TYR A 759 17.833 -16.286 -9.414 1.00 21.54 C ATOM 725 C TYR A 759 17.717 -16.276 -7.938 1.00 61.15 C ATOM 726 O TYR A 759 18.196 -15.361 -7.273 1.00 33.33 O ATOM 727 CB TYR A 759 16.632 -15.613 -10.027 1.00 55.43 C ATOM 728 CG TYR A 759 16.623 -15.639 -11.535 1.00 41.25 C ATOM 729 CD1 TYR A 759 17.568 -14.939 -12.263 1.00 60.54 C ATOM 730 CD2 TYR A 759 15.671 -16.367 -12.228 1.00 13.30 C ATOM 731 CE1 TYR A 759 17.563 -14.961 -13.632 1.00 45.31 C ATOM 732 CE2 TYR A 759 15.659 -16.394 -13.601 1.00 24.23 C ATOM 733 CZ TYR A 759 16.607 -15.690 -14.300 1.00 3.02 C ATOM 734 OH TYR A 759 16.598 -15.711 -15.674 1.00 1.31 O ATOM 0 H TYR A 759 17.037 -18.076 -10.098 1.00 34.44 H new ATOM 0 HA TYR A 759 18.728 -15.741 -9.715 1.00 21.54 H new ATOM 0 HB2 TYR A 759 15.728 -16.098 -9.659 1.00 55.43 H new ATOM 0 HB3 TYR A 759 16.597 -14.577 -9.691 1.00 55.43 H new ATOM 0 HD1 TYR A 759 18.322 -14.366 -11.743 1.00 60.54 H new ATOM 0 HD2 TYR A 759 14.925 -16.923 -11.680 1.00 13.30 H new ATOM 0 HE1 TYR A 759 18.307 -14.408 -14.185 1.00 45.31 H new ATOM 0 HE2 TYR A 759 14.909 -16.965 -14.127 1.00 24.23 H new ATOM 0 HH TYR A 759 15.859 -16.274 -15.988 1.00 1.31 H new ATOM 744 N ARG A 760 17.070 -17.337 -7.421 1.00 64.13 N ATOM 745 CA ARG A 760 16.856 -17.562 -6.006 1.00 0.52 C ATOM 746 C ARG A 760 16.549 -16.276 -5.257 1.00 42.10 C ATOM 747 O ARG A 760 17.397 -15.730 -4.529 1.00 41.03 O ATOM 748 CB ARG A 760 18.022 -18.306 -5.394 1.00 60.32 C ATOM 749 CG ARG A 760 17.713 -18.925 -4.066 1.00 33.11 C ATOM 750 CD ARG A 760 18.803 -19.859 -3.643 1.00 11.11 C ATOM 751 NE ARG A 760 20.074 -19.170 -3.410 1.00 24.22 N ATOM 752 CZ ARG A 760 21.217 -19.792 -3.145 1.00 52.42 C ATOM 753 NH1 ARG A 760 21.253 -21.114 -3.103 1.00 53.24 N ATOM 754 NH2 ARG A 760 22.321 -19.090 -2.924 1.00 75.33 N ATOM 0 H ARG A 760 16.676 -18.074 -8.005 1.00 64.13 H new ATOM 0 HA ARG A 760 15.971 -18.191 -5.908 1.00 0.52 H new ATOM 0 HB2 ARG A 760 18.344 -19.087 -6.082 1.00 60.32 H new ATOM 0 HB3 ARG A 760 18.859 -17.618 -5.278 1.00 60.32 H new ATOM 0 HG2 ARG A 760 17.588 -18.143 -3.317 1.00 33.11 H new ATOM 0 HG3 ARG A 760 16.768 -19.465 -4.124 1.00 33.11 H new ATOM 0 HD2 ARG A 760 18.501 -20.375 -2.732 1.00 11.11 H new ATOM 0 HD3 ARG A 760 18.942 -20.621 -4.410 1.00 11.11 H new ATOM 0 HE ARG A 760 20.082 -18.151 -3.454 1.00 24.22 H new ATOM 0 HH11 ARG A 760 20.404 -21.653 -3.274 1.00 53.24 H new ATOM 0 HH12 ARG A 760 22.130 -21.594 -2.900 1.00 53.24 H new ATOM 0 HH21 ARG A 760 22.293 -18.071 -2.957 1.00 75.33 H new ATOM 0 HH22 ARG A 760 23.198 -19.569 -2.721 1.00 75.33 H new ATOM 768 N GLY A 761 15.379 -15.785 -5.466 1.00 51.55 N ATOM 769 CA GLY A 761 14.979 -14.580 -4.846 1.00 71.10 C ATOM 770 C GLY A 761 13.843 -13.954 -5.555 1.00 44.42 C ATOM 771 O GLY A 761 13.040 -13.247 -4.947 1.00 1.33 O ATOM 0 H GLY A 761 14.676 -16.209 -6.071 1.00 51.55 H new ATOM 0 HA2 GLY A 761 14.698 -14.778 -3.812 1.00 71.10 H new ATOM 0 HA3 GLY A 761 15.820 -13.887 -4.821 1.00 71.10 H new ATOM 775 N THR A 762 13.754 -14.193 -6.854 1.00 53.33 N ATOM 776 CA THR A 762 12.635 -13.713 -7.587 1.00 44.22 C ATOM 777 C THR A 762 11.481 -14.755 -7.544 1.00 35.34 C ATOM 778 O THR A 762 11.522 -15.758 -8.306 1.00 53.35 O ATOM 779 CB THR A 762 13.008 -13.270 -9.078 1.00 50.30 C ATOM 780 OG1 THR A 762 11.873 -12.676 -9.732 1.00 24.14 O ATOM 781 CG2 THR A 762 13.521 -14.431 -9.910 1.00 54.41 C ATOM 782 OXT THR A 762 10.567 -14.579 -6.715 1.00 36.98 O ATOM 0 H THR A 762 14.442 -14.711 -7.400 1.00 53.33 H new ATOM 0 HA THR A 762 12.287 -12.801 -7.102 1.00 44.22 H new ATOM 0 HB THR A 762 13.808 -12.535 -8.995 1.00 50.30 H new ATOM 0 HG1 THR A 762 12.122 -12.410 -10.642 1.00 24.14 H new ATOM 0 HG21 THR A 762 13.761 -14.081 -10.914 1.00 54.41 H new ATOM 0 HG22 THR A 762 14.417 -14.844 -9.446 1.00 54.41 H new ATOM 0 HG23 THR A 762 12.754 -15.203 -9.969 1.00 54.41 H new