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 -35:sc=0.000606 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 725 LYS NZ :NH3+ 147:sc= 1.28 (180deg=1.03) USER MOD Single : A 729 LYS NZ :NH3+ 169:sc=-0.00382 (180deg=-0.122) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -32:sc= 0.0179 USER MOD Single : A 743 ASN :FLIP amide:sc= -1.49 F(o=-2.1!,f=-1.5) USER MOD Single : A 744 ASN : amide:sc= -0.797 K(o=-0.8,f=-2.5) USER MOD Single : A 748 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0233) USER MOD Single : A 751 THR OG1 : rot 138:sc= 0.215 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 X(o=0,f=-0.0099) 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 3.580 -3.994 0.614 1.00 43.41 N ATOM 24 CA LEU A 717 4.294 -5.250 0.430 1.00 52.23 C ATOM 25 C LEU A 717 3.910 -5.970 -0.859 1.00 54.44 C ATOM 26 O LEU A 717 4.781 -6.447 -1.582 1.00 44.35 O ATOM 27 CB LEU A 717 4.110 -6.169 1.614 1.00 21.01 C ATOM 28 CG LEU A 717 4.793 -7.529 1.494 1.00 21.01 C ATOM 29 CD1 LEU A 717 6.299 -7.395 1.637 1.00 73.33 C ATOM 30 CD2 LEU A 717 4.230 -8.511 2.493 1.00 45.14 C ATOM 0 HA LEU A 717 5.348 -4.984 0.350 1.00 52.23 H new ATOM 0 HB2 LEU A 717 4.488 -5.668 2.505 1.00 21.01 H new ATOM 0 HB3 LEU A 717 3.043 -6.329 1.767 1.00 21.01 H new ATOM 0 HG LEU A 717 4.588 -7.921 0.498 1.00 21.01 H new ATOM 0 HD11 LEU A 717 6.762 -8.378 1.548 1.00 73.33 H new ATOM 0 HD12 LEU A 717 6.682 -6.741 0.854 1.00 73.33 H new ATOM 0 HD13 LEU A 717 6.535 -6.970 2.612 1.00 73.33 H new ATOM 0 HD21 LEU A 717 4.735 -9.471 2.384 1.00 45.14 H new ATOM 0 HD22 LEU A 717 4.385 -8.132 3.503 1.00 45.14 H new ATOM 0 HD23 LEU A 717 3.163 -8.641 2.314 1.00 45.14 H new ATOM 42 N LEU A 718 2.621 -6.029 -1.154 1.00 65.14 N ATOM 43 CA LEU A 718 2.129 -6.793 -2.325 1.00 11.53 C ATOM 44 C LEU A 718 2.734 -6.284 -3.630 1.00 14.24 C ATOM 45 O LEU A 718 2.778 -7.000 -4.627 1.00 70.33 O ATOM 46 CB LEU A 718 0.572 -6.791 -2.414 1.00 24.03 C ATOM 47 CG LEU A 718 -0.114 -5.474 -2.849 1.00 42.21 C ATOM 48 CD1 LEU A 718 -1.577 -5.722 -3.159 1.00 71.54 C ATOM 49 CD2 LEU A 718 0.014 -4.414 -1.780 1.00 13.21 C ATOM 0 H LEU A 718 1.890 -5.567 -0.613 1.00 65.14 H new ATOM 0 HA LEU A 718 2.456 -7.822 -2.177 1.00 11.53 H new ATOM 0 HB2 LEU A 718 0.273 -7.573 -3.112 1.00 24.03 H new ATOM 0 HB3 LEU A 718 0.178 -7.069 -1.436 1.00 24.03 H new ATOM 0 HG LEU A 718 0.387 -5.115 -3.748 1.00 42.21 H new ATOM 0 HD11 LEU A 718 -2.048 -4.787 -3.464 1.00 71.54 H new ATOM 0 HD12 LEU A 718 -1.660 -6.450 -3.966 1.00 71.54 H new ATOM 0 HD13 LEU A 718 -2.077 -6.107 -2.270 1.00 71.54 H new ATOM 0 HD21 LEU A 718 -0.477 -3.500 -2.113 1.00 13.21 H new ATOM 0 HD22 LEU A 718 -0.457 -4.765 -0.862 1.00 13.21 H new ATOM 0 HD23 LEU A 718 1.069 -4.212 -1.593 1.00 13.21 H new ATOM 61 N ILE A 719 3.199 -5.065 -3.614 1.00 61.43 N ATOM 62 CA ILE A 719 3.792 -4.465 -4.776 1.00 2.52 C ATOM 63 C ILE A 719 5.327 -4.432 -4.657 1.00 14.50 C ATOM 64 O ILE A 719 6.041 -4.489 -5.668 1.00 71.22 O ATOM 65 CB ILE A 719 3.251 -3.027 -4.986 1.00 2.41 C ATOM 66 CG1 ILE A 719 1.719 -3.054 -5.186 1.00 53.14 C ATOM 67 CG2 ILE A 719 3.943 -2.336 -6.170 1.00 13.23 C ATOM 68 CD1 ILE A 719 1.260 -3.888 -6.373 1.00 33.23 C ATOM 0 H ILE A 719 3.177 -4.459 -2.794 1.00 61.43 H new ATOM 0 HA ILE A 719 3.522 -5.075 -5.638 1.00 2.52 H new ATOM 0 HB ILE A 719 3.476 -2.448 -4.090 1.00 2.41 H new ATOM 0 HG12 ILE A 719 1.252 -3.443 -4.281 1.00 53.14 H new ATOM 0 HG13 ILE A 719 1.362 -2.032 -5.315 1.00 53.14 H new ATOM 0 HG21 ILE A 719 3.541 -1.330 -6.290 1.00 13.23 H new ATOM 0 HG22 ILE A 719 5.015 -2.278 -5.982 1.00 13.23 H new ATOM 0 HG23 ILE A 719 3.765 -2.909 -7.080 1.00 13.23 H new ATOM 0 HD11 ILE A 719 0.173 -3.854 -6.443 1.00 33.23 H new ATOM 0 HD12 ILE A 719 1.695 -3.488 -7.289 1.00 33.23 H new ATOM 0 HD13 ILE A 719 1.583 -4.920 -6.239 1.00 33.23 H new ATOM 80 N THR A 720 5.831 -4.378 -3.424 1.00 61.02 N ATOM 81 CA THR A 720 7.257 -4.242 -3.207 1.00 53.52 C ATOM 82 C THR A 720 7.995 -5.520 -3.607 1.00 63.21 C ATOM 83 O THR A 720 9.177 -5.505 -3.819 1.00 12.13 O ATOM 84 CB THR A 720 7.597 -3.857 -1.732 1.00 52.41 C ATOM 85 OG1 THR A 720 8.898 -3.245 -1.674 1.00 71.02 O ATOM 86 CG2 THR A 720 7.592 -5.085 -0.834 1.00 62.53 C ATOM 0 H THR A 720 5.272 -4.426 -2.572 1.00 61.02 H new ATOM 0 HA THR A 720 7.596 -3.425 -3.844 1.00 53.52 H new ATOM 0 HB THR A 720 6.837 -3.158 -1.383 1.00 52.41 H new ATOM 0 HG1 THR A 720 9.485 -3.662 -2.339 1.00 71.02 H new ATOM 0 HG21 THR A 720 7.832 -4.790 0.188 1.00 62.53 H new ATOM 0 HG22 THR A 720 6.605 -5.548 -0.856 1.00 62.53 H new ATOM 0 HG23 THR A 720 8.335 -5.799 -1.189 1.00 62.53 H new ATOM 94 N ILE A 721 7.250 -6.620 -3.713 1.00 22.41 N ATOM 95 CA ILE A 721 7.788 -7.888 -4.161 1.00 32.25 C ATOM 96 C ILE A 721 8.417 -7.734 -5.542 1.00 11.33 C ATOM 97 O ILE A 721 9.482 -8.300 -5.825 1.00 62.42 O ATOM 98 CB ILE A 721 6.659 -8.958 -4.241 1.00 15.44 C ATOM 99 CG1 ILE A 721 6.024 -9.172 -2.863 1.00 22.42 C ATOM 100 CG2 ILE A 721 7.188 -10.270 -4.805 1.00 15.10 C ATOM 101 CD1 ILE A 721 4.869 -10.148 -2.864 1.00 13.41 C ATOM 0 H ILE A 721 6.255 -6.649 -3.488 1.00 22.41 H new ATOM 0 HA ILE A 721 8.545 -8.208 -3.445 1.00 32.25 H new ATOM 0 HB ILE A 721 5.889 -8.590 -4.920 1.00 15.44 H new ATOM 0 HG12 ILE A 721 6.788 -9.530 -2.173 1.00 22.42 H new ATOM 0 HG13 ILE A 721 5.675 -8.212 -2.482 1.00 22.42 H new ATOM 0 HG21 ILE A 721 6.379 -10.999 -4.850 1.00 15.10 H new ATOM 0 HG22 ILE A 721 7.582 -10.103 -5.808 1.00 15.10 H new ATOM 0 HG23 ILE A 721 7.982 -10.649 -4.162 1.00 15.10 H new ATOM 0 HD11 ILE A 721 4.474 -10.245 -1.853 1.00 13.41 H new ATOM 0 HD12 ILE A 721 4.084 -9.783 -3.527 1.00 13.41 H new ATOM 0 HD13 ILE A 721 5.215 -11.121 -3.213 1.00 13.41 H new ATOM 113 N HIS A 722 7.776 -6.957 -6.378 1.00 2.41 N ATOM 114 CA HIS A 722 8.244 -6.743 -7.720 1.00 31.34 C ATOM 115 C HIS A 722 9.513 -5.914 -7.714 1.00 44.53 C ATOM 116 O HIS A 722 10.483 -6.225 -8.403 1.00 60.04 O ATOM 117 CB HIS A 722 7.178 -6.054 -8.544 1.00 72.21 C ATOM 118 CG HIS A 722 7.271 -6.366 -9.973 1.00 62.24 C ATOM 119 ND1 HIS A 722 7.687 -5.468 -10.923 1.00 24.41 N ATOM 120 CD2 HIS A 722 6.996 -7.495 -10.622 1.00 43.23 C ATOM 121 CE1 HIS A 722 7.662 -6.043 -12.104 1.00 13.12 C ATOM 122 NE2 HIS A 722 7.245 -7.276 -11.949 1.00 63.34 N ATOM 0 H HIS A 722 6.918 -6.457 -6.147 1.00 2.41 H new ATOM 0 HA HIS A 722 8.463 -7.713 -8.167 1.00 31.34 H new ATOM 0 HB2 HIS A 722 6.195 -6.348 -8.176 1.00 72.21 H new ATOM 0 HB3 HIS A 722 7.260 -4.976 -8.407 1.00 72.21 H new ATOM 0 HD2 HIS A 722 6.641 -8.415 -10.182 1.00 43.23 H new ATOM 0 HE1 HIS A 722 7.937 -5.580 -13.040 1.00 13.12 H new ATOM 0 HE2 HIS A 722 7.126 -7.960 -12.696 1.00 63.34 H new ATOM 131 N ASP A 723 9.511 -4.881 -6.920 1.00 4.32 N ATOM 132 CA ASP A 723 10.672 -3.992 -6.808 1.00 11.13 C ATOM 133 C ASP A 723 11.779 -4.648 -6.016 1.00 34.32 C ATOM 134 O ASP A 723 12.928 -4.244 -6.087 1.00 65.14 O ATOM 135 CB ASP A 723 10.283 -2.653 -6.169 1.00 73.23 C ATOM 136 CG ASP A 723 9.493 -1.771 -7.106 1.00 13.41 C ATOM 137 OD1 ASP A 723 8.248 -1.904 -7.162 1.00 31.10 O ATOM 138 OD2 ASP A 723 10.105 -0.943 -7.799 1.00 53.34 O ATOM 0 H ASP A 723 8.721 -4.618 -6.330 1.00 4.32 H new ATOM 0 HA ASP A 723 11.037 -3.797 -7.816 1.00 11.13 H new ATOM 0 HB2 ASP A 723 9.695 -2.840 -5.270 1.00 73.23 H new ATOM 0 HB3 ASP A 723 11.186 -2.128 -5.856 1.00 73.23 H new ATOM 143 N ARG A 724 11.426 -5.667 -5.278 1.00 62.04 N ATOM 144 CA ARG A 724 12.353 -6.422 -4.488 1.00 12.11 C ATOM 145 C ARG A 724 13.365 -7.169 -5.374 1.00 0.34 C ATOM 146 O ARG A 724 14.481 -7.444 -4.955 1.00 24.21 O ATOM 147 CB ARG A 724 11.582 -7.386 -3.607 1.00 52.21 C ATOM 148 CG ARG A 724 12.403 -8.193 -2.664 1.00 33.24 C ATOM 149 CD ARG A 724 11.510 -8.920 -1.701 1.00 64.32 C ATOM 150 NE ARG A 724 10.923 -8.018 -0.697 1.00 71.44 N ATOM 151 CZ ARG A 724 10.138 -8.421 0.317 1.00 22.25 C ATOM 152 NH1 ARG A 724 9.800 -9.703 0.433 1.00 72.00 N ATOM 153 NH2 ARG A 724 9.699 -7.540 1.209 1.00 10.10 N ATOM 0 H ARG A 724 10.464 -6.000 -5.210 1.00 62.04 H new ATOM 0 HA ARG A 724 12.925 -5.739 -3.860 1.00 12.11 H new ATOM 0 HB2 ARG A 724 10.852 -6.818 -3.030 1.00 52.21 H new ATOM 0 HB3 ARG A 724 11.022 -8.067 -4.248 1.00 52.21 H new ATOM 0 HG2 ARG A 724 13.012 -8.907 -3.218 1.00 33.24 H new ATOM 0 HG3 ARG A 724 13.089 -7.545 -2.119 1.00 33.24 H new ATOM 0 HD2 ARG A 724 10.711 -9.416 -2.253 1.00 64.32 H new ATOM 0 HD3 ARG A 724 12.081 -9.700 -1.197 1.00 64.32 H new ATOM 0 HE ARG A 724 11.125 -7.021 -0.776 1.00 71.44 H new ATOM 0 HH11 ARG A 724 10.137 -10.383 -0.249 1.00 72.00 H new ATOM 0 HH12 ARG A 724 9.204 -10.006 1.204 1.00 72.00 H new ATOM 0 HH21 ARG A 724 9.958 -6.557 1.125 1.00 10.10 H new ATOM 0 HH22 ARG A 724 9.103 -7.847 1.978 1.00 10.10 H new ATOM 167 N LYS A 725 12.969 -7.483 -6.588 1.00 64.25 N ATOM 168 CA LYS A 725 13.885 -8.103 -7.531 1.00 72.50 C ATOM 169 C LYS A 725 14.819 -7.062 -8.125 1.00 24.41 C ATOM 170 O LYS A 725 16.021 -7.268 -8.205 1.00 4.15 O ATOM 171 CB LYS A 725 13.122 -8.819 -8.657 1.00 70.21 C ATOM 172 CG LYS A 725 13.210 -10.350 -8.612 1.00 14.41 C ATOM 173 CD LYS A 725 11.909 -10.983 -8.129 1.00 43.43 C ATOM 174 CE LYS A 725 11.626 -10.660 -6.678 1.00 64.44 C ATOM 175 NZ LYS A 725 10.328 -11.193 -6.249 1.00 22.24 N ATOM 0 H LYS A 725 12.028 -7.323 -6.947 1.00 64.25 H new ATOM 0 HA LYS A 725 14.472 -8.843 -6.987 1.00 72.50 H new ATOM 0 HB2 LYS A 725 12.073 -8.527 -8.611 1.00 70.21 H new ATOM 0 HB3 LYS A 725 13.507 -8.474 -9.616 1.00 70.21 H new ATOM 0 HG2 LYS A 725 13.451 -10.729 -9.605 1.00 14.41 H new ATOM 0 HG3 LYS A 725 14.025 -10.647 -7.952 1.00 14.41 H new ATOM 0 HD2 LYS A 725 11.083 -10.630 -8.747 1.00 43.43 H new ATOM 0 HD3 LYS A 725 11.963 -12.064 -8.256 1.00 43.43 H new ATOM 0 HE2 LYS A 725 12.415 -11.075 -6.052 1.00 64.44 H new ATOM 0 HE3 LYS A 725 11.641 -9.579 -6.536 1.00 64.44 H new ATOM 0 HZ1 LYS A 725 10.379 -11.468 -5.247 1.00 22.24 H new ATOM 0 HZ2 LYS A 725 9.596 -10.464 -6.371 1.00 22.24 H new ATOM 0 HZ3 LYS A 725 10.087 -12.025 -6.824 1.00 22.24 H new ATOM 189 N GLU A 726 14.251 -5.947 -8.524 1.00 34.31 N ATOM 190 CA GLU A 726 14.995 -4.896 -9.195 1.00 51.41 C ATOM 191 C GLU A 726 15.862 -4.101 -8.207 1.00 44.53 C ATOM 192 O GLU A 726 17.094 -4.094 -8.298 1.00 1.02 O ATOM 193 CB GLU A 726 14.023 -3.949 -9.914 1.00 22.21 C ATOM 194 CG GLU A 726 14.692 -2.947 -10.840 1.00 50.20 C ATOM 195 CD GLU A 726 15.421 -3.615 -11.978 1.00 13.03 C ATOM 196 OE1 GLU A 726 14.752 -4.239 -12.831 1.00 35.12 O ATOM 197 OE2 GLU A 726 16.661 -3.522 -12.033 1.00 41.35 O ATOM 0 H GLU A 726 13.261 -5.739 -8.394 1.00 34.31 H new ATOM 0 HA GLU A 726 15.658 -5.364 -9.922 1.00 51.41 H new ATOM 0 HB2 GLU A 726 13.316 -4.544 -10.492 1.00 22.21 H new ATOM 0 HB3 GLU A 726 13.445 -3.405 -9.167 1.00 22.21 H new ATOM 0 HG2 GLU A 726 13.939 -2.269 -11.242 1.00 50.20 H new ATOM 0 HG3 GLU A 726 15.394 -2.340 -10.268 1.00 50.20 H new ATOM 204 N PHE A 727 15.215 -3.455 -7.281 1.00 34.24 N ATOM 205 CA PHE A 727 15.869 -2.565 -6.355 1.00 44.40 C ATOM 206 C PHE A 727 16.528 -3.342 -5.209 1.00 33.43 C ATOM 207 O PHE A 727 17.734 -3.291 -5.032 1.00 41.54 O ATOM 208 CB PHE A 727 14.819 -1.568 -5.783 1.00 44.03 C ATOM 209 CG PHE A 727 15.383 -0.419 -4.947 1.00 23.21 C ATOM 210 CD1 PHE A 727 16.309 -0.649 -3.941 1.00 34.11 C ATOM 211 CD2 PHE A 727 14.969 0.876 -5.175 1.00 43.33 C ATOM 212 CE1 PHE A 727 16.802 0.375 -3.193 1.00 73.15 C ATOM 213 CE2 PHE A 727 15.461 1.913 -4.421 1.00 43.01 C ATOM 214 CZ PHE A 727 16.379 1.664 -3.428 1.00 11.33 C ATOM 0 H PHE A 727 14.207 -3.529 -7.143 1.00 34.24 H new ATOM 0 HA PHE A 727 16.652 -2.023 -6.885 1.00 44.40 H new ATOM 0 HB2 PHE A 727 14.256 -1.145 -6.615 1.00 44.03 H new ATOM 0 HB3 PHE A 727 14.112 -2.126 -5.170 1.00 44.03 H new ATOM 0 HD1 PHE A 727 16.644 -1.657 -3.748 1.00 34.11 H new ATOM 0 HD2 PHE A 727 14.250 1.077 -5.955 1.00 43.33 H new ATOM 0 HE1 PHE A 727 17.525 0.177 -2.415 1.00 73.15 H new ATOM 0 HE2 PHE A 727 15.127 2.923 -4.608 1.00 43.01 H new ATOM 0 HZ PHE A 727 16.767 2.478 -2.834 1.00 11.33 H new ATOM 224 N ALA A 728 15.714 -4.067 -4.459 1.00 50.11 N ATOM 225 CA ALA A 728 16.141 -4.675 -3.185 1.00 74.31 C ATOM 226 C ALA A 728 17.331 -5.590 -3.333 1.00 55.21 C ATOM 227 O ALA A 728 18.227 -5.577 -2.499 1.00 41.33 O ATOM 228 CB ALA A 728 15.003 -5.399 -2.541 1.00 10.44 C ATOM 0 H ALA A 728 14.742 -4.257 -4.704 1.00 50.11 H new ATOM 0 HA ALA A 728 16.458 -3.854 -2.542 1.00 74.31 H new ATOM 0 HB1 ALA A 728 15.337 -5.841 -1.602 1.00 10.44 H new ATOM 0 HB2 ALA A 728 14.191 -4.699 -2.344 1.00 10.44 H new ATOM 0 HB3 ALA A 728 14.649 -6.186 -3.207 1.00 10.44 H new ATOM 234 N LYS A 729 17.352 -6.370 -4.401 1.00 51.14 N ATOM 235 CA LYS A 729 18.434 -7.334 -4.634 1.00 33.54 C ATOM 236 C LYS A 729 19.817 -6.655 -4.644 1.00 45.40 C ATOM 237 O LYS A 729 20.841 -7.302 -4.400 1.00 3.53 O ATOM 238 CB LYS A 729 18.191 -8.144 -5.927 1.00 33.40 C ATOM 239 CG LYS A 729 19.259 -9.215 -6.225 1.00 44.53 C ATOM 240 CD LYS A 729 19.437 -10.192 -5.052 1.00 24.21 C ATOM 241 CE LYS A 729 18.181 -11.014 -4.799 1.00 15.42 C ATOM 242 NZ LYS A 729 17.864 -11.912 -5.934 1.00 25.24 N ATOM 0 H LYS A 729 16.635 -6.360 -5.126 1.00 51.14 H new ATOM 0 HA LYS A 729 18.430 -8.034 -3.798 1.00 33.54 H new ATOM 0 HB2 LYS A 729 17.218 -8.630 -5.858 1.00 33.40 H new ATOM 0 HB3 LYS A 729 18.143 -7.453 -6.769 1.00 33.40 H new ATOM 0 HG2 LYS A 729 18.976 -9.770 -7.119 1.00 44.53 H new ATOM 0 HG3 LYS A 729 20.211 -8.728 -6.439 1.00 44.53 H new ATOM 0 HD2 LYS A 729 20.272 -10.861 -5.261 1.00 24.21 H new ATOM 0 HD3 LYS A 729 19.693 -9.634 -4.151 1.00 24.21 H new ATOM 0 HE2 LYS A 729 18.313 -11.607 -3.894 1.00 15.42 H new ATOM 0 HE3 LYS A 729 17.340 -10.344 -4.621 1.00 15.42 H new ATOM 0 HZ1 LYS A 729 17.120 -12.581 -5.650 1.00 25.24 H new ATOM 0 HZ2 LYS A 729 17.532 -11.347 -6.741 1.00 25.24 H new ATOM 0 HZ3 LYS A 729 18.717 -12.439 -6.208 1.00 25.24 H new ATOM 256 N PHE A 730 19.834 -5.372 -4.918 1.00 0.44 N ATOM 257 CA PHE A 730 21.063 -4.612 -4.923 1.00 71.51 C ATOM 258 C PHE A 730 21.659 -4.581 -3.537 1.00 53.42 C ATOM 259 O PHE A 730 22.810 -4.987 -3.322 1.00 41.15 O ATOM 260 CB PHE A 730 20.790 -3.194 -5.361 1.00 22.10 C ATOM 261 CG PHE A 730 22.019 -2.454 -5.829 1.00 61.13 C ATOM 262 CD1 PHE A 730 22.431 -2.536 -7.142 1.00 1.44 C ATOM 263 CD2 PHE A 730 22.758 -1.680 -4.947 1.00 21.50 C ATOM 264 CE1 PHE A 730 23.554 -1.864 -7.572 1.00 3.11 C ATOM 265 CE2 PHE A 730 23.881 -1.006 -5.369 1.00 74.23 C ATOM 266 CZ PHE A 730 24.280 -1.098 -6.685 1.00 74.14 C ATOM 0 H PHE A 730 19.001 -4.827 -5.143 1.00 0.44 H new ATOM 0 HA PHE A 730 21.759 -5.087 -5.614 1.00 71.51 H new ATOM 0 HB2 PHE A 730 20.056 -3.207 -6.167 1.00 22.10 H new ATOM 0 HB3 PHE A 730 20.342 -2.647 -4.531 1.00 22.10 H new ATOM 0 HD1 PHE A 730 21.867 -3.134 -7.842 1.00 1.44 H new ATOM 0 HD2 PHE A 730 22.448 -1.605 -3.915 1.00 21.50 H new ATOM 0 HE1 PHE A 730 23.866 -1.937 -8.603 1.00 3.11 H new ATOM 0 HE2 PHE A 730 24.448 -0.407 -4.671 1.00 74.23 H new ATOM 0 HZ PHE A 730 25.161 -0.571 -7.021 1.00 74.14 H new ATOM 276 N GLU A 731 20.880 -4.103 -2.605 1.00 53.30 N ATOM 277 CA GLU A 731 21.312 -3.955 -1.257 1.00 51.21 C ATOM 278 C GLU A 731 21.453 -5.306 -0.577 1.00 65.20 C ATOM 279 O GLU A 731 22.263 -5.468 0.316 1.00 13.22 O ATOM 280 CB GLU A 731 20.363 -3.036 -0.487 1.00 64.25 C ATOM 281 CG GLU A 731 18.984 -3.612 -0.232 1.00 63.00 C ATOM 282 CD GLU A 731 18.090 -2.655 0.504 1.00 52.52 C ATOM 283 OE1 GLU A 731 17.464 -1.790 -0.147 1.00 50.32 O ATOM 284 OE2 GLU A 731 18.004 -2.752 1.751 1.00 31.34 O ATOM 0 H GLU A 731 19.919 -3.804 -2.770 1.00 53.30 H new ATOM 0 HA GLU A 731 22.298 -3.490 -1.262 1.00 51.21 H new ATOM 0 HB2 GLU A 731 20.820 -2.787 0.471 1.00 64.25 H new ATOM 0 HB3 GLU A 731 20.255 -2.103 -1.041 1.00 64.25 H new ATOM 0 HG2 GLU A 731 18.523 -3.877 -1.183 1.00 63.00 H new ATOM 0 HG3 GLU A 731 19.079 -4.532 0.344 1.00 63.00 H new ATOM 291 N GLU A 732 20.651 -6.276 -1.023 1.00 33.31 N ATOM 292 CA GLU A 732 20.693 -7.634 -0.500 1.00 54.13 C ATOM 293 C GLU A 732 22.074 -8.251 -0.623 1.00 5.23 C ATOM 294 O GLU A 732 22.475 -9.028 0.214 1.00 62.52 O ATOM 295 CB GLU A 732 19.666 -8.518 -1.185 1.00 15.32 C ATOM 296 CG GLU A 732 18.235 -8.139 -0.883 1.00 61.54 C ATOM 297 CD GLU A 732 17.261 -9.207 -1.268 1.00 44.24 C ATOM 298 OE1 GLU A 732 16.904 -9.290 -2.442 1.00 44.40 O ATOM 299 OE2 GLU A 732 16.842 -9.984 -0.374 1.00 55.34 O ATOM 0 H GLU A 732 19.956 -6.137 -1.757 1.00 33.31 H new ATOM 0 HA GLU A 732 20.449 -7.567 0.560 1.00 54.13 H new ATOM 0 HB2 GLU A 732 19.824 -8.474 -2.263 1.00 15.32 H new ATOM 0 HB3 GLU A 732 19.830 -9.552 -0.881 1.00 15.32 H new ATOM 0 HG2 GLU A 732 18.136 -7.930 0.182 1.00 61.54 H new ATOM 0 HG3 GLU A 732 17.988 -7.219 -1.413 1.00 61.54 H new ATOM 306 N GLU A 733 22.793 -7.904 -1.672 1.00 35.45 N ATOM 307 CA GLU A 733 24.165 -8.389 -1.845 1.00 3.21 C ATOM 308 C GLU A 733 25.036 -7.939 -0.683 1.00 1.41 C ATOM 309 O GLU A 733 25.851 -8.687 -0.186 1.00 31.21 O ATOM 310 CB GLU A 733 24.754 -7.890 -3.147 1.00 74.22 C ATOM 311 CG GLU A 733 24.026 -8.364 -4.375 1.00 23.52 C ATOM 312 CD GLU A 733 24.692 -7.911 -5.647 1.00 50.02 C ATOM 313 OE1 GLU A 733 24.367 -6.814 -6.133 1.00 71.32 O ATOM 314 OE2 GLU A 733 25.546 -8.647 -6.170 1.00 20.31 O ATOM 0 H GLU A 733 22.461 -7.293 -2.418 1.00 35.45 H new ATOM 0 HA GLU A 733 24.136 -9.478 -1.870 1.00 3.21 H new ATOM 0 HB2 GLU A 733 24.756 -6.800 -3.138 1.00 74.22 H new ATOM 0 HB3 GLU A 733 25.794 -8.210 -3.209 1.00 74.22 H new ATOM 0 HG2 GLU A 733 23.971 -9.453 -4.364 1.00 23.52 H new ATOM 0 HG3 GLU A 733 23.001 -7.993 -4.353 1.00 23.52 H new ATOM 321 N ARG A 734 24.829 -6.721 -0.261 1.00 33.33 N ATOM 322 CA ARG A 734 25.569 -6.139 0.840 1.00 70.01 C ATOM 323 C ARG A 734 24.992 -6.641 2.169 1.00 31.21 C ATOM 324 O ARG A 734 25.729 -7.012 3.085 1.00 1.13 O ATOM 325 CB ARG A 734 25.481 -4.572 0.743 1.00 10.30 C ATOM 326 CG ARG A 734 26.389 -3.770 1.711 1.00 61.44 C ATOM 327 CD ARG A 734 25.861 -3.773 3.143 1.00 4.04 C ATOM 328 NE ARG A 734 24.468 -3.303 3.227 1.00 24.24 N ATOM 329 CZ ARG A 734 23.615 -3.632 4.209 1.00 50.03 C ATOM 330 NH1 ARG A 734 24.012 -4.429 5.211 1.00 1.44 N ATOM 331 NH2 ARG A 734 22.374 -3.174 4.189 1.00 41.25 N ATOM 0 H ARG A 734 24.137 -6.094 -0.672 1.00 33.33 H new ATOM 0 HA ARG A 734 26.617 -6.436 0.790 1.00 70.01 H new ATOM 0 HB2 ARG A 734 25.726 -4.278 -0.278 1.00 10.30 H new ATOM 0 HB3 ARG A 734 24.447 -4.276 0.920 1.00 10.30 H new ATOM 0 HG2 ARG A 734 27.393 -4.193 1.696 1.00 61.44 H new ATOM 0 HG3 ARG A 734 26.471 -2.742 1.359 1.00 61.44 H new ATOM 0 HD2 ARG A 734 25.927 -4.782 3.550 1.00 4.04 H new ATOM 0 HD3 ARG A 734 26.494 -3.138 3.762 1.00 4.04 H new ATOM 0 HE ARG A 734 24.129 -2.686 2.489 1.00 24.24 H new ATOM 0 HH11 ARG A 734 24.966 -4.788 5.229 1.00 1.44 H new ATOM 0 HH12 ARG A 734 23.360 -4.676 5.955 1.00 1.44 H new ATOM 0 HH21 ARG A 734 22.065 -2.571 3.427 1.00 41.25 H new ATOM 0 HH22 ARG A 734 21.726 -3.424 4.936 1.00 41.25 H new ATOM 345 N ALA A 735 23.690 -6.664 2.247 1.00 12.31 N ATOM 346 CA ALA A 735 22.975 -7.024 3.469 1.00 4.11 C ATOM 347 C ALA A 735 23.167 -8.495 3.821 1.00 70.21 C ATOM 348 O ALA A 735 23.599 -8.842 4.933 1.00 61.32 O ATOM 349 CB ALA A 735 21.494 -6.703 3.309 1.00 2.32 C ATOM 0 H ALA A 735 23.078 -6.433 1.464 1.00 12.31 H new ATOM 0 HA ALA A 735 23.387 -6.437 4.290 1.00 4.11 H new ATOM 0 HB1 ALA A 735 20.963 -6.972 4.222 1.00 2.32 H new ATOM 0 HB2 ALA A 735 21.371 -5.637 3.119 1.00 2.32 H new ATOM 0 HB3 ALA A 735 21.087 -7.270 2.472 1.00 2.32 H new ATOM 355 N ARG A 736 22.877 -9.340 2.882 1.00 3.01 N ATOM 356 CA ARG A 736 22.939 -10.778 3.079 1.00 32.10 C ATOM 357 C ARG A 736 24.403 -11.281 3.132 1.00 33.31 C ATOM 358 O ARG A 736 24.665 -12.422 3.483 1.00 13.44 O ATOM 359 CB ARG A 736 22.162 -11.472 1.966 1.00 22.43 C ATOM 360 CG ARG A 736 22.155 -12.969 2.027 1.00 52.42 C ATOM 361 CD ARG A 736 21.304 -13.535 0.942 1.00 22.30 C ATOM 362 NE ARG A 736 21.645 -14.903 0.646 1.00 74.14 N ATOM 363 CZ ARG A 736 22.121 -15.299 -0.519 1.00 53.41 C ATOM 364 NH1 ARG A 736 22.394 -14.402 -1.464 1.00 70.43 N ATOM 365 NH2 ARG A 736 22.357 -16.560 -0.736 1.00 13.14 N ATOM 0 H ARG A 736 22.587 -9.062 1.945 1.00 3.01 H new ATOM 0 HA ARG A 736 22.485 -11.021 4.040 1.00 32.10 H new ATOM 0 HB2 ARG A 736 21.131 -11.119 1.991 1.00 22.43 H new ATOM 0 HB3 ARG A 736 22.581 -11.166 1.007 1.00 22.43 H new ATOM 0 HG2 ARG A 736 23.173 -13.347 1.932 1.00 52.42 H new ATOM 0 HG3 ARG A 736 21.782 -13.297 2.997 1.00 52.42 H new ATOM 0 HD2 ARG A 736 20.256 -13.478 1.236 1.00 22.30 H new ATOM 0 HD3 ARG A 736 21.415 -12.931 0.042 1.00 22.30 H new ATOM 0 HE ARG A 736 21.511 -15.603 1.376 1.00 74.14 H new ATOM 0 HH11 ARG A 736 22.235 -13.410 -1.287 1.00 70.43 H new ATOM 0 HH12 ARG A 736 22.762 -14.707 -2.365 1.00 70.43 H new ATOM 0 HH21 ARG A 736 22.174 -17.246 -0.004 1.00 13.14 H new ATOM 0 HH22 ARG A 736 22.725 -16.862 -1.638 1.00 13.14 H new ATOM 379 N ALA A 737 25.334 -10.413 2.802 1.00 52.02 N ATOM 380 CA ALA A 737 26.749 -10.770 2.836 1.00 2.32 C ATOM 381 C ALA A 737 27.236 -10.962 4.269 1.00 72.35 C ATOM 382 O ALA A 737 28.253 -11.598 4.505 1.00 43.22 O ATOM 383 CB ALA A 737 27.571 -9.703 2.163 1.00 14.10 C ATOM 0 H ALA A 737 25.145 -9.455 2.507 1.00 52.02 H new ATOM 0 HA ALA A 737 26.868 -11.713 2.302 1.00 2.32 H new ATOM 0 HB1 ALA A 737 28.624 -9.981 2.195 1.00 14.10 H new ATOM 0 HB2 ALA A 737 27.254 -9.600 1.125 1.00 14.10 H new ATOM 0 HB3 ALA A 737 27.430 -8.754 2.681 1.00 14.10 H new ATOM 389 N LYS A 738 26.492 -10.419 5.209 1.00 25.21 N ATOM 390 CA LYS A 738 26.890 -10.403 6.597 1.00 23.22 C ATOM 391 C LYS A 738 25.753 -10.866 7.488 1.00 72.24 C ATOM 392 O LYS A 738 25.969 -11.542 8.489 1.00 12.13 O ATOM 393 CB LYS A 738 27.332 -8.974 6.994 1.00 30.10 C ATOM 394 CG LYS A 738 28.603 -8.449 6.280 1.00 32.55 C ATOM 395 CD LYS A 738 29.913 -8.977 6.922 1.00 43.43 C ATOM 396 CE LYS A 738 30.124 -10.468 6.682 1.00 73.31 C ATOM 397 NZ LYS A 738 31.408 -10.938 7.238 1.00 64.44 N ATOM 0 H LYS A 738 25.591 -9.975 5.029 1.00 25.21 H new ATOM 0 HA LYS A 738 27.726 -11.089 6.730 1.00 23.22 H new ATOM 0 HB2 LYS A 738 26.511 -8.288 6.788 1.00 30.10 H new ATOM 0 HB3 LYS A 738 27.505 -8.951 8.070 1.00 30.10 H new ATOM 0 HG2 LYS A 738 28.573 -8.744 5.231 1.00 32.55 H new ATOM 0 HG3 LYS A 738 28.605 -7.359 6.305 1.00 32.55 H new ATOM 0 HD2 LYS A 738 30.760 -8.424 6.517 1.00 43.43 H new ATOM 0 HD3 LYS A 738 29.891 -8.785 7.995 1.00 43.43 H new ATOM 0 HE2 LYS A 738 29.306 -11.028 7.134 1.00 73.31 H new ATOM 0 HE3 LYS A 738 30.096 -10.671 5.611 1.00 73.31 H new ATOM 0 HZ1 LYS A 738 31.514 -11.956 7.054 1.00 64.44 H new ATOM 0 HZ2 LYS A 738 32.191 -10.422 6.788 1.00 64.44 H new ATOM 0 HZ3 LYS A 738 31.425 -10.768 8.264 1.00 64.44 H new ATOM 411 N TRP A 739 24.538 -10.510 7.109 1.00 62.24 N ATOM 412 CA TRP A 739 23.361 -10.796 7.914 1.00 13.14 C ATOM 413 C TRP A 739 22.348 -11.540 7.092 1.00 52.15 C ATOM 414 O TRP A 739 21.148 -11.223 7.107 1.00 31.23 O ATOM 415 CB TRP A 739 22.766 -9.484 8.429 1.00 32.32 C ATOM 416 CG TRP A 739 23.772 -8.634 9.135 1.00 63.33 C ATOM 417 CD1 TRP A 739 24.777 -7.930 8.559 1.00 52.30 C ATOM 418 CD2 TRP A 739 23.869 -8.396 10.534 1.00 14.33 C ATOM 419 NE1 TRP A 739 25.522 -7.319 9.495 1.00 31.51 N ATOM 420 CE2 TRP A 739 24.976 -7.562 10.730 1.00 71.33 C ATOM 421 CE3 TRP A 739 23.135 -8.812 11.636 1.00 3.01 C ATOM 422 CZ2 TRP A 739 25.372 -7.134 11.990 1.00 54.23 C ATOM 423 CZ3 TRP A 739 23.522 -8.383 12.890 1.00 72.20 C ATOM 424 CH2 TRP A 739 24.633 -7.551 13.057 1.00 24.54 C ATOM 0 H TRP A 739 24.339 -10.017 6.239 1.00 62.24 H new ATOM 0 HA TRP A 739 23.644 -11.417 8.764 1.00 13.14 H new ATOM 0 HB2 TRP A 739 22.348 -8.926 7.591 1.00 32.32 H new ATOM 0 HB3 TRP A 739 21.942 -9.705 9.108 1.00 32.32 H new ATOM 0 HD1 TRP A 739 24.954 -7.869 7.495 1.00 52.30 H new ATOM 0 HE1 TRP A 739 26.359 -6.764 9.316 1.00 31.51 H new ATOM 0 HE3 TRP A 739 22.278 -9.458 11.515 1.00 3.01 H new ATOM 0 HZ2 TRP A 739 26.233 -6.495 12.120 1.00 54.23 H new ATOM 0 HZ3 TRP A 739 22.957 -8.695 13.756 1.00 72.20 H new ATOM 0 HH2 TRP A 739 24.911 -7.232 14.051 1.00 24.54 H new ATOM 435 N ASP A 740 22.826 -12.525 6.369 1.00 30.33 N ATOM 436 CA ASP A 740 21.989 -13.375 5.525 1.00 44.44 C ATOM 437 C ASP A 740 20.789 -13.952 6.286 1.00 50.42 C ATOM 438 O ASP A 740 19.695 -14.036 5.745 1.00 41.13 O ATOM 439 CB ASP A 740 22.821 -14.518 4.896 1.00 13.13 C ATOM 440 CG ASP A 740 23.245 -15.583 5.881 1.00 14.04 C ATOM 441 OD1 ASP A 740 24.238 -15.362 6.608 1.00 53.52 O ATOM 442 OD2 ASP A 740 22.589 -16.656 5.932 1.00 52.23 O ATOM 0 H ASP A 740 23.816 -12.769 6.343 1.00 30.33 H new ATOM 0 HA ASP A 740 21.598 -12.740 4.730 1.00 44.44 H new ATOM 0 HB2 ASP A 740 22.238 -14.984 4.102 1.00 13.13 H new ATOM 0 HB3 ASP A 740 23.710 -14.093 4.431 1.00 13.13 H new ATOM 447 N THR A 741 20.991 -14.313 7.541 1.00 53.44 N ATOM 448 CA THR A 741 19.931 -14.928 8.312 1.00 31.15 C ATOM 449 C THR A 741 18.944 -13.873 8.854 1.00 31.53 C ATOM 450 O THR A 741 17.834 -14.198 9.241 1.00 35.04 O ATOM 451 CB THR A 741 20.491 -15.806 9.492 1.00 24.43 C ATOM 452 OG1 THR A 741 19.430 -16.620 10.050 1.00 11.30 O ATOM 453 CG2 THR A 741 21.082 -14.929 10.594 1.00 22.43 C ATOM 0 H THR A 741 21.871 -14.192 8.042 1.00 53.44 H new ATOM 0 HA THR A 741 19.394 -15.588 7.631 1.00 31.15 H new ATOM 0 HB THR A 741 21.277 -16.446 9.092 1.00 24.43 H new ATOM 0 HG1 THR A 741 18.579 -16.138 9.986 1.00 11.30 H new ATOM 0 HG21 THR A 741 21.462 -15.560 11.397 1.00 22.43 H new ATOM 0 HG22 THR A 741 21.897 -14.332 10.186 1.00 22.43 H new ATOM 0 HG23 THR A 741 20.309 -14.268 10.987 1.00 22.43 H new ATOM 461 N ALA A 742 19.360 -12.619 8.842 1.00 70.45 N ATOM 462 CA ALA A 742 18.547 -11.544 9.385 1.00 75.55 C ATOM 463 C ALA A 742 17.696 -10.897 8.311 1.00 12.23 C ATOM 464 O ALA A 742 16.517 -10.593 8.532 1.00 41.41 O ATOM 465 CB ALA A 742 19.426 -10.505 10.053 1.00 65.45 C ATOM 0 H ALA A 742 20.258 -12.319 8.462 1.00 70.45 H new ATOM 0 HA ALA A 742 17.877 -11.976 10.129 1.00 75.55 H new ATOM 0 HB1 ALA A 742 18.803 -9.706 10.455 1.00 65.45 H new ATOM 0 HB2 ALA A 742 19.988 -10.970 10.863 1.00 65.45 H new ATOM 0 HB3 ALA A 742 20.120 -10.091 9.322 1.00 65.45 H new ATOM 471 N ASN A 743 18.279 -10.691 7.154 1.00 55.53 N ATOM 472 CA ASN A 743 17.581 -10.016 6.067 1.00 4.33 C ATOM 473 C ASN A 743 16.755 -10.977 5.264 1.00 44.54 C ATOM 474 O ASN A 743 15.683 -10.630 4.777 1.00 15.42 O ATOM 475 CB ASN A 743 18.563 -9.288 5.145 1.00 35.03 C ATOM 476 CG ASN A 743 19.354 -8.220 5.850 1.00 72.44 C ATOM 477 OD1 ASN A 743 20.512 -8.572 6.311 1.00 62.14 O flip ATOM 478 ND2 ASN A 743 18.917 -7.080 5.965 1.00 1.05 N flip ATOM 0 H ASN A 743 19.233 -10.978 6.934 1.00 55.53 H new ATOM 0 HA ASN A 743 16.916 -9.283 6.524 1.00 4.33 H new ATOM 0 HB2 ASN A 743 19.251 -10.014 4.711 1.00 35.03 H new ATOM 0 HB3 ASN A 743 18.011 -8.838 4.320 1.00 35.03 H new ATOM 0 HD21 ASN A 743 17.999 -6.845 5.587 1.00 1.05 H new ATOM 0 HD22 ASN A 743 19.471 -6.367 6.439 1.00 1.05 H new ATOM 485 N ASN A 744 17.235 -12.177 5.133 1.00 55.43 N ATOM 486 CA ASN A 744 16.586 -13.153 4.310 1.00 51.22 C ATOM 487 C ASN A 744 16.003 -14.278 5.151 1.00 4.32 C ATOM 488 O ASN A 744 16.588 -14.677 6.173 1.00 24.53 O ATOM 489 CB ASN A 744 17.559 -13.691 3.251 1.00 23.33 C ATOM 490 CG ASN A 744 17.973 -12.617 2.251 1.00 70.44 C ATOM 491 OD1 ASN A 744 18.960 -11.906 2.458 1.00 32.31 O ATOM 492 ND2 ASN A 744 17.227 -12.483 1.180 1.00 54.43 N ATOM 0 H ASN A 744 18.084 -12.507 5.592 1.00 55.43 H new ATOM 0 HA ASN A 744 15.756 -12.671 3.793 1.00 51.22 H new ATOM 0 HB2 ASN A 744 18.447 -14.088 3.744 1.00 23.33 H new ATOM 0 HB3 ASN A 744 17.092 -14.520 2.719 1.00 23.33 H new ATOM 0 HD21 ASN A 744 17.456 -11.773 0.485 1.00 54.43 H new ATOM 0 HD22 ASN A 744 16.418 -13.089 1.043 1.00 54.43 H new ATOM 499 N PRO A 745 14.831 -14.807 4.735 1.00 34.14 N ATOM 500 CA PRO A 745 14.086 -15.830 5.499 1.00 42.12 C ATOM 501 C PRO A 745 14.869 -17.132 5.671 1.00 53.24 C ATOM 502 O PRO A 745 14.766 -17.795 6.699 1.00 61.12 O ATOM 503 CB PRO A 745 12.835 -16.070 4.634 1.00 22.04 C ATOM 504 CG PRO A 745 13.219 -15.603 3.273 1.00 4.12 C ATOM 505 CD PRO A 745 14.133 -14.447 3.487 1.00 52.22 C ATOM 0 HA PRO A 745 13.872 -15.498 6.515 1.00 42.12 H new ATOM 0 HB2 PRO A 745 12.555 -17.123 4.627 1.00 22.04 H new ATOM 0 HB3 PRO A 745 11.978 -15.515 5.015 1.00 22.04 H new ATOM 0 HG2 PRO A 745 13.715 -16.396 2.712 1.00 4.12 H new ATOM 0 HG3 PRO A 745 12.341 -15.307 2.698 1.00 4.12 H new ATOM 0 HD2 PRO A 745 14.828 -14.322 2.657 1.00 52.22 H new ATOM 0 HD3 PRO A 745 13.584 -13.511 3.587 1.00 52.22 H new ATOM 513 N LEU A 746 15.641 -17.481 4.675 1.00 43.33 N ATOM 514 CA LEU A 746 16.408 -18.710 4.697 1.00 54.35 C ATOM 515 C LEU A 746 17.584 -18.589 3.790 1.00 42.31 C ATOM 516 O LEU A 746 18.714 -18.884 4.167 1.00 75.11 O ATOM 517 CB LEU A 746 15.521 -19.894 4.261 1.00 2.02 C ATOM 518 CG LEU A 746 16.200 -21.265 4.193 1.00 31.45 C ATOM 519 CD1 LEU A 746 16.707 -21.687 5.567 1.00 55.41 C ATOM 520 CD2 LEU A 746 15.243 -22.303 3.633 1.00 41.20 C ATOM 0 H LEU A 746 15.759 -16.927 3.827 1.00 43.33 H new ATOM 0 HA LEU A 746 16.761 -18.891 5.712 1.00 54.35 H new ATOM 0 HB2 LEU A 746 14.680 -19.963 4.951 1.00 2.02 H new ATOM 0 HB3 LEU A 746 15.109 -19.668 3.278 1.00 2.02 H new ATOM 0 HG LEU A 746 17.058 -21.190 3.525 1.00 31.45 H new ATOM 0 HD11 LEU A 746 17.185 -22.664 5.494 1.00 55.41 H new ATOM 0 HD12 LEU A 746 17.429 -20.955 5.929 1.00 55.41 H new ATOM 0 HD13 LEU A 746 15.869 -21.744 6.262 1.00 55.41 H new ATOM 0 HD21 LEU A 746 15.741 -23.272 3.591 1.00 41.20 H new ATOM 0 HD22 LEU A 746 14.366 -22.373 4.276 1.00 41.20 H new ATOM 0 HD23 LEU A 746 14.935 -22.010 2.629 1.00 41.20 H new ATOM 556 N LYS A 748 16.915 -17.236 -0.061 1.00 4.00 N ATOM 557 CA LYS A 748 16.378 -16.381 -1.001 1.00 30.02 C ATOM 558 C LYS A 748 14.892 -16.236 -0.754 1.00 3.01 C ATOM 559 O LYS A 748 14.378 -16.710 0.264 1.00 11.13 O ATOM 560 CB LYS A 748 16.623 -16.977 -2.338 1.00 72.21 C ATOM 561 CG LYS A 748 17.571 -16.209 -3.227 1.00 75.14 C ATOM 562 CD LYS A 748 18.780 -15.661 -2.459 1.00 1.11 C ATOM 563 CE LYS A 748 19.718 -14.889 -3.367 1.00 22.42 C ATOM 564 NZ LYS A 748 20.449 -15.770 -4.284 1.00 32.21 N ATOM 0 HA LYS A 748 16.834 -15.393 -0.941 1.00 30.02 H new ATOM 0 HB2 LYS A 748 17.016 -17.984 -2.201 1.00 72.21 H new ATOM 0 HB3 LYS A 748 15.668 -17.075 -2.854 1.00 72.21 H new ATOM 0 HG2 LYS A 748 17.919 -16.859 -4.030 1.00 75.14 H new ATOM 0 HG3 LYS A 748 17.036 -15.382 -3.695 1.00 75.14 H new ATOM 0 HD2 LYS A 748 18.436 -15.011 -1.654 1.00 1.11 H new ATOM 0 HD3 LYS A 748 19.320 -16.486 -1.994 1.00 1.11 H new ATOM 0 HE2 LYS A 748 19.147 -14.161 -3.943 1.00 22.42 H new ATOM 0 HE3 LYS A 748 20.429 -14.328 -2.760 1.00 22.42 H new ATOM 0 HZ1 LYS A 748 21.127 -15.209 -4.838 1.00 32.21 H new ATOM 0 HZ2 LYS A 748 20.962 -16.491 -3.738 1.00 32.21 H new ATOM 0 HZ3 LYS A 748 19.777 -16.236 -4.927 1.00 32.21 H new ATOM 578 N GLU A 749 14.216 -15.626 -1.668 1.00 14.44 N ATOM 579 CA GLU A 749 12.803 -15.328 -1.508 1.00 5.00 C ATOM 580 C GLU A 749 11.917 -16.552 -1.836 1.00 52.21 C ATOM 581 O GLU A 749 10.887 -16.767 -1.204 1.00 24.10 O ATOM 582 CB GLU A 749 12.419 -14.144 -2.397 1.00 13.20 C ATOM 583 CG GLU A 749 10.963 -13.741 -2.310 1.00 21.35 C ATOM 584 CD GLU A 749 10.610 -13.048 -1.013 1.00 5.51 C ATOM 585 OE1 GLU A 749 10.743 -11.813 -0.946 1.00 42.23 O ATOM 586 OE2 GLU A 749 10.184 -13.728 -0.062 1.00 41.33 O ATOM 0 H GLU A 749 14.613 -15.313 -2.554 1.00 14.44 H new ATOM 0 HA GLU A 749 12.631 -15.070 -0.463 1.00 5.00 H new ATOM 0 HB2 GLU A 749 13.037 -13.288 -2.127 1.00 13.20 H new ATOM 0 HB3 GLU A 749 12.653 -14.392 -3.432 1.00 13.20 H new ATOM 0 HG2 GLU A 749 10.726 -13.080 -3.143 1.00 21.35 H new ATOM 0 HG3 GLU A 749 10.340 -14.629 -2.421 1.00 21.35 H new ATOM 593 N ALA A 750 12.326 -17.336 -2.812 1.00 45.44 N ATOM 594 CA ALA A 750 11.514 -18.464 -3.277 1.00 15.21 C ATOM 595 C ALA A 750 11.980 -19.800 -2.680 1.00 25.11 C ATOM 596 O ALA A 750 11.325 -20.826 -2.861 1.00 74.55 O ATOM 597 CB ALA A 750 11.509 -18.523 -4.794 1.00 4.42 C ATOM 0 H ALA A 750 13.212 -17.221 -3.304 1.00 45.44 H new ATOM 0 HA ALA A 750 10.495 -18.298 -2.927 1.00 15.21 H new ATOM 0 HB1 ALA A 750 10.902 -19.366 -5.123 1.00 4.42 H new ATOM 0 HB2 ALA A 750 11.092 -17.598 -5.193 1.00 4.42 H new ATOM 0 HB3 ALA A 750 12.529 -18.647 -5.157 1.00 4.42 H new ATOM 603 N THR A 751 13.110 -19.771 -1.980 1.00 3.24 N ATOM 604 CA THR A 751 13.740 -20.985 -1.435 1.00 53.10 C ATOM 605 C THR A 751 12.753 -21.867 -0.621 1.00 22.31 C ATOM 606 O THR A 751 12.570 -23.030 -0.926 1.00 61.04 O ATOM 607 CB THR A 751 14.952 -20.625 -0.545 1.00 52.30 C ATOM 608 OG1 THR A 751 15.858 -19.801 -1.286 1.00 42.33 O ATOM 609 CG2 THR A 751 15.679 -21.879 -0.095 1.00 71.23 C ATOM 0 H THR A 751 13.619 -18.912 -1.771 1.00 3.24 H new ATOM 0 HA THR A 751 14.070 -21.564 -2.297 1.00 53.10 H new ATOM 0 HB THR A 751 14.590 -20.092 0.334 1.00 52.30 H new ATOM 0 HG1 THR A 751 16.186 -19.077 -0.712 1.00 42.33 H new ATOM 0 HG21 THR A 751 16.528 -21.603 0.530 1.00 71.23 H new ATOM 0 HG22 THR A 751 14.998 -22.509 0.477 1.00 71.23 H new ATOM 0 HG23 THR A 751 16.034 -22.427 -0.968 1.00 71.23 H new ATOM 617 N SER A 752 12.138 -21.292 0.390 1.00 41.12 N ATOM 618 CA SER A 752 11.285 -22.052 1.298 1.00 51.12 C ATOM 619 C SER A 752 9.930 -22.443 0.649 1.00 11.54 C ATOM 620 O SER A 752 9.410 -23.544 0.885 1.00 12.02 O ATOM 621 CB SER A 752 11.058 -21.270 2.606 1.00 60.04 C ATOM 622 OG SER A 752 10.310 -22.028 3.543 1.00 13.33 O ATOM 0 H SER A 752 12.209 -20.299 0.610 1.00 41.12 H new ATOM 0 HA SER A 752 11.806 -22.981 1.527 1.00 51.12 H new ATOM 0 HB2 SER A 752 12.020 -21.000 3.041 1.00 60.04 H new ATOM 0 HB3 SER A 752 10.534 -20.339 2.388 1.00 60.04 H new ATOM 0 HG SER A 752 10.185 -21.504 4.362 1.00 13.33 H new ATOM 628 N THR A 753 9.372 -21.558 -0.152 1.00 53.53 N ATOM 629 CA THR A 753 8.072 -21.811 -0.746 1.00 22.32 C ATOM 630 C THR A 753 8.147 -22.875 -1.868 1.00 21.14 C ATOM 631 O THR A 753 7.172 -23.599 -2.119 1.00 20.02 O ATOM 632 CB THR A 753 7.383 -20.501 -1.266 1.00 41.12 C ATOM 633 OG1 THR A 753 6.027 -20.783 -1.657 1.00 72.44 O ATOM 634 CG2 THR A 753 8.137 -19.907 -2.449 1.00 31.31 C ATOM 0 H THR A 753 9.793 -20.664 -0.406 1.00 53.53 H new ATOM 0 HA THR A 753 7.448 -22.209 0.054 1.00 22.32 H new ATOM 0 HB THR A 753 7.392 -19.774 -0.454 1.00 41.12 H new ATOM 0 HG1 THR A 753 5.602 -19.961 -1.979 1.00 72.44 H new ATOM 0 HG21 THR A 753 7.632 -19.001 -2.784 1.00 31.31 H new ATOM 0 HG22 THR A 753 9.156 -19.665 -2.146 1.00 31.31 H new ATOM 0 HG23 THR A 753 8.163 -20.630 -3.264 1.00 31.31 H new ATOM 642 N PHE A 754 9.289 -22.976 -2.510 1.00 14.43 N ATOM 643 CA PHE A 754 9.489 -23.967 -3.552 1.00 2.52 C ATOM 644 C PHE A 754 10.598 -24.932 -3.162 1.00 52.41 C ATOM 645 O PHE A 754 10.968 -25.016 -1.997 1.00 31.32 O ATOM 646 CB PHE A 754 9.820 -23.290 -4.891 1.00 4.43 C ATOM 647 CG PHE A 754 8.706 -22.457 -5.447 1.00 11.52 C ATOM 648 CD1 PHE A 754 7.432 -22.985 -5.589 1.00 73.13 C ATOM 649 CD2 PHE A 754 8.929 -21.154 -5.823 1.00 33.33 C ATOM 650 CE1 PHE A 754 6.405 -22.221 -6.099 1.00 43.55 C ATOM 651 CE2 PHE A 754 7.907 -20.381 -6.334 1.00 10.41 C ATOM 652 CZ PHE A 754 6.643 -20.916 -6.472 1.00 14.12 C ATOM 0 H PHE A 754 10.099 -22.383 -2.330 1.00 14.43 H new ATOM 0 HA PHE A 754 8.562 -24.528 -3.670 1.00 2.52 H new ATOM 0 HB2 PHE A 754 10.700 -22.660 -4.760 1.00 4.43 H new ATOM 0 HB3 PHE A 754 10.083 -24.058 -5.619 1.00 4.43 H new ATOM 0 HD1 PHE A 754 7.242 -24.007 -5.296 1.00 73.13 H new ATOM 0 HD2 PHE A 754 9.917 -20.730 -5.717 1.00 33.33 H new ATOM 0 HE1 PHE A 754 5.417 -22.644 -6.206 1.00 43.55 H new ATOM 0 HE2 PHE A 754 8.096 -19.358 -6.626 1.00 10.41 H new ATOM 0 HZ PHE A 754 5.841 -20.313 -6.872 1.00 14.12 H new ATOM 662 N THR A 755 11.102 -25.665 -4.122 1.00 5.20 N ATOM 663 CA THR A 755 12.187 -26.577 -3.880 1.00 12.03 C ATOM 664 C THR A 755 13.342 -26.332 -4.867 1.00 25.30 C ATOM 665 O THR A 755 14.516 -26.568 -4.540 1.00 33.44 O ATOM 666 CB THR A 755 11.718 -28.081 -3.942 1.00 63.20 C ATOM 667 OG1 THR A 755 12.842 -28.970 -3.777 1.00 62.12 O ATOM 668 CG2 THR A 755 11.016 -28.388 -5.256 1.00 64.31 C ATOM 0 H THR A 755 10.773 -25.646 -5.087 1.00 5.20 H new ATOM 0 HA THR A 755 12.546 -26.386 -2.869 1.00 12.03 H new ATOM 0 HB THR A 755 11.012 -28.237 -3.127 1.00 63.20 H new ATOM 0 HG1 THR A 755 12.533 -29.899 -3.817 1.00 62.12 H new ATOM 0 HG21 THR A 755 10.705 -29.433 -5.267 1.00 64.31 H new ATOM 0 HG22 THR A 755 10.140 -27.748 -5.359 1.00 64.31 H new ATOM 0 HG23 THR A 755 11.699 -28.204 -6.085 1.00 64.31 H new ATOM 676 N ASN A 756 13.014 -25.830 -6.056 1.00 24.10 N ATOM 677 CA ASN A 756 14.010 -25.587 -7.084 1.00 54.44 C ATOM 678 C ASN A 756 13.490 -24.588 -8.109 1.00 51.53 C ATOM 679 O ASN A 756 12.564 -24.887 -8.872 1.00 51.41 O ATOM 680 CB ASN A 756 14.392 -26.899 -7.791 1.00 12.31 C ATOM 681 CG ASN A 756 15.590 -26.737 -8.714 1.00 1.12 C ATOM 682 OD1 ASN A 756 15.451 -26.366 -9.882 1.00 24.43 O ATOM 683 ND2 ASN A 756 16.757 -27.019 -8.206 1.00 2.03 N ATOM 0 H ASN A 756 12.062 -25.585 -6.327 1.00 24.10 H new ATOM 0 HA ASN A 756 14.896 -25.173 -6.602 1.00 54.44 H new ATOM 0 HB2 ASN A 756 14.615 -27.660 -7.043 1.00 12.31 H new ATOM 0 HB3 ASN A 756 13.540 -27.259 -8.367 1.00 12.31 H new ATOM 0 HD21 ASN A 756 17.596 -26.936 -8.779 1.00 2.03 H new ATOM 0 HD22 ASN A 756 16.831 -27.323 -7.235 1.00 2.03 H new ATOM 690 N ILE A 757 14.053 -23.418 -8.110 1.00 72.53 N ATOM 691 CA ILE A 757 13.697 -22.403 -9.066 1.00 23.43 C ATOM 692 C ILE A 757 14.935 -21.983 -9.819 1.00 71.31 C ATOM 693 O ILE A 757 16.043 -22.093 -9.299 1.00 34.31 O ATOM 694 CB ILE A 757 13.093 -21.110 -8.390 1.00 23.32 C ATOM 695 CG1 ILE A 757 12.311 -21.420 -7.093 1.00 24.04 C ATOM 696 CG2 ILE A 757 12.206 -20.371 -9.365 1.00 32.41 C ATOM 697 CD1 ILE A 757 13.181 -21.649 -5.871 1.00 11.40 C ATOM 0 H ILE A 757 14.775 -23.135 -7.447 1.00 72.53 H new ATOM 0 HA ILE A 757 12.940 -22.835 -9.721 1.00 23.43 H new ATOM 0 HB ILE A 757 13.937 -20.480 -8.111 1.00 23.32 H new ATOM 0 HG12 ILE A 757 11.630 -20.594 -6.888 1.00 24.04 H new ATOM 0 HG13 ILE A 757 11.697 -22.306 -7.257 1.00 24.04 H new ATOM 0 HG21 ILE A 757 11.797 -19.482 -8.884 1.00 32.41 H new ATOM 0 HG22 ILE A 757 12.790 -20.076 -10.236 1.00 32.41 H new ATOM 0 HG23 ILE A 757 11.390 -21.021 -9.679 1.00 32.41 H new ATOM 0 HD11 ILE A 757 12.549 -21.860 -5.008 1.00 11.40 H new ATOM 0 HD12 ILE A 757 13.844 -22.495 -6.050 1.00 11.40 H new ATOM 0 HD13 ILE A 757 13.776 -20.757 -5.676 1.00 11.40 H new ATOM 709 N THR A 758 14.762 -21.501 -11.015 1.00 13.30 N ATOM 710 CA THR A 758 15.875 -21.025 -11.790 1.00 41.14 C ATOM 711 C THR A 758 16.378 -19.660 -11.242 1.00 61.24 C ATOM 712 O THR A 758 17.562 -19.353 -11.314 1.00 10.32 O ATOM 713 CB THR A 758 15.512 -20.917 -13.306 1.00 25.44 C ATOM 714 OG1 THR A 758 16.698 -20.742 -14.100 1.00 43.54 O ATOM 715 CG2 THR A 758 14.562 -19.763 -13.571 1.00 42.11 C ATOM 0 H THR A 758 13.857 -21.426 -11.479 1.00 13.30 H new ATOM 0 HA THR A 758 16.682 -21.752 -11.697 1.00 41.14 H new ATOM 0 HB THR A 758 15.018 -21.848 -13.585 1.00 25.44 H new ATOM 0 HG1 THR A 758 16.452 -20.678 -15.046 1.00 43.54 H new ATOM 0 HG21 THR A 758 14.332 -19.718 -14.635 1.00 42.11 H new ATOM 0 HG22 THR A 758 13.642 -19.912 -13.006 1.00 42.11 H new ATOM 0 HG23 THR A 758 15.030 -18.828 -13.262 1.00 42.11 H new ATOM 723 N TYR A 759 15.457 -18.868 -10.675 1.00 45.10 N ATOM 724 CA TYR A 759 15.822 -17.592 -10.078 1.00 23.03 C ATOM 725 C TYR A 759 16.002 -17.733 -8.599 1.00 3.21 C ATOM 726 O TYR A 759 16.754 -16.987 -7.983 1.00 20.00 O ATOM 727 CB TYR A 759 14.782 -16.509 -10.394 1.00 11.13 C ATOM 728 CG TYR A 759 14.733 -16.123 -11.857 1.00 34.41 C ATOM 729 CD1 TYR A 759 15.822 -15.519 -12.470 1.00 74.33 C ATOM 730 CD2 TYR A 759 13.607 -16.371 -12.623 1.00 33.34 C ATOM 731 CE1 TYR A 759 15.788 -15.172 -13.802 1.00 63.52 C ATOM 732 CE2 TYR A 759 13.565 -16.031 -13.960 1.00 34.54 C ATOM 733 CZ TYR A 759 14.657 -15.430 -14.543 1.00 3.34 C ATOM 734 OH TYR A 759 14.621 -15.092 -15.888 1.00 1.21 O ATOM 0 H TYR A 759 14.464 -19.093 -10.621 1.00 45.10 H new ATOM 0 HA TYR A 759 16.771 -17.281 -10.515 1.00 23.03 H new ATOM 0 HB2 TYR A 759 13.798 -16.862 -10.087 1.00 11.13 H new ATOM 0 HB3 TYR A 759 15.002 -15.622 -9.800 1.00 11.13 H new ATOM 0 HD1 TYR A 759 16.712 -15.318 -11.892 1.00 74.33 H new ATOM 0 HD2 TYR A 759 12.747 -16.838 -12.167 1.00 33.34 H new ATOM 0 HE1 TYR A 759 16.643 -14.700 -14.263 1.00 63.52 H new ATOM 0 HE2 TYR A 759 12.681 -16.235 -14.545 1.00 34.54 H new ATOM 0 HH TYR A 759 13.752 -15.342 -16.265 1.00 1.21 H new ATOM 744 N ARG A 760 15.279 -18.706 -8.012 1.00 64.51 N ATOM 745 CA ARG A 760 15.363 -19.031 -6.581 1.00 71.24 C ATOM 746 C ARG A 760 14.886 -17.871 -5.676 1.00 55.12 C ATOM 747 O ARG A 760 14.785 -18.012 -4.463 1.00 31.00 O ATOM 748 CB ARG A 760 16.775 -19.505 -6.230 1.00 44.53 C ATOM 749 CG ARG A 760 16.914 -20.109 -4.870 1.00 14.31 C ATOM 750 CD ARG A 760 18.026 -21.118 -4.851 1.00 55.34 C ATOM 751 NE ARG A 760 19.327 -20.545 -5.230 1.00 60.43 N ATOM 752 CZ ARG A 760 20.421 -21.275 -5.567 1.00 42.10 C ATOM 753 NH1 ARG A 760 20.370 -22.615 -5.557 1.00 5.11 N ATOM 754 NH2 ARG A 760 21.564 -20.659 -5.883 1.00 11.42 N ATOM 0 H ARG A 760 14.617 -19.290 -8.523 1.00 64.51 H new ATOM 0 HA ARG A 760 14.672 -19.851 -6.384 1.00 71.24 H new ATOM 0 HB2 ARG A 760 17.092 -20.238 -6.972 1.00 44.53 H new ATOM 0 HB3 ARG A 760 17.457 -18.658 -6.307 1.00 44.53 H new ATOM 0 HG2 ARG A 760 17.113 -19.327 -4.137 1.00 14.31 H new ATOM 0 HG3 ARG A 760 15.978 -20.586 -4.581 1.00 14.31 H new ATOM 0 HD2 ARG A 760 18.102 -21.549 -3.853 1.00 55.34 H new ATOM 0 HD3 ARG A 760 17.782 -21.933 -5.532 1.00 55.34 H new ATOM 0 HE ARG A 760 19.413 -19.529 -5.240 1.00 60.43 H new ATOM 0 HH11 ARG A 760 19.506 -23.091 -5.295 1.00 5.11 H new ATOM 0 HH12 ARG A 760 21.195 -23.159 -5.811 1.00 5.11 H new ATOM 0 HH21 ARG A 760 21.615 -19.640 -5.871 1.00 11.42 H new ATOM 0 HH22 ARG A 760 22.386 -21.207 -6.136 1.00 11.42 H new ATOM 768 N GLY A 761 14.553 -16.789 -6.274 1.00 65.51 N ATOM 769 CA GLY A 761 14.154 -15.648 -5.538 1.00 54.42 C ATOM 770 C GLY A 761 13.106 -14.853 -6.248 1.00 23.41 C ATOM 771 O GLY A 761 12.807 -13.724 -5.863 1.00 31.21 O ATOM 0 H GLY A 761 14.549 -16.668 -7.287 1.00 65.51 H new ATOM 0 HA2 GLY A 761 13.773 -15.960 -4.566 1.00 54.42 H new ATOM 0 HA3 GLY A 761 15.023 -15.016 -5.352 1.00 54.42 H new ATOM 775 N THR A 762 12.558 -15.425 -7.289 1.00 3.34 N ATOM 776 CA THR A 762 11.491 -14.805 -8.016 1.00 42.24 C ATOM 777 C THR A 762 10.189 -14.810 -7.169 1.00 1.43 C ATOM 778 O THR A 762 9.634 -15.892 -6.929 1.00 23.22 O ATOM 779 CB THR A 762 11.267 -15.501 -9.426 1.00 34.54 C ATOM 780 OG1 THR A 762 10.157 -14.910 -10.130 1.00 3.52 O ATOM 781 CG2 THR A 762 11.052 -17.004 -9.282 1.00 1.54 C ATOM 782 OXT THR A 762 9.753 -13.718 -6.737 1.00 36.00 O ATOM 0 H THR A 762 12.842 -16.334 -7.653 1.00 3.34 H new ATOM 0 HA THR A 762 11.769 -13.769 -8.212 1.00 42.24 H new ATOM 0 HB THR A 762 12.175 -15.339 -10.008 1.00 34.54 H new ATOM 0 HG1 THR A 762 10.043 -15.357 -10.995 1.00 3.52 H new ATOM 0 HG21 THR A 762 10.902 -17.446 -10.267 1.00 1.54 H new ATOM 0 HG22 THR A 762 11.927 -17.453 -8.812 1.00 1.54 H new ATOM 0 HG23 THR A 762 10.173 -17.188 -8.664 1.00 1.54 H new