USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 389 hydrogens (16 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 NoAdj-H: A 747 PTR HN2 : A 747 PTR N : A 746 LEU C :(H bumps) USER MOD NoAdj-H: A 759 PTR HN2 : A 759 PTR N : A 758 THR C :(H bumps) USER MOD NoAdj-H: A 759 PTR H : A 759 PTR N : A 758 THR C :(H bumps) USER MOD Single : A 716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= -0.0588 X(o=-0.059,f=-0.0035) USER MOD Single : A 725 LYS NZ :NH3+ 168:sc= -0.04 (180deg=-0.225) USER MOD Single : A 729 LYS NZ :NH3+ 147:sc= 2.41 (180deg=1.8) USER MOD Single : A 738 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.035) USER MOD Single : A 741 THR OG1 : rot 180:sc= 0 USER MOD Single : A 743 ASN : amide:sc= 1.16 K(o=1.2,f=-0.24) USER MOD Single : A 744 ASN : amide:sc= -2.42! X(o=-2.4!,f=-1.9) USER MOD Single : A 748 LYS NZ :NH3+ 129:sc= 2.1 (180deg=-0.0543) USER MOD Single : A 751 THR OG1 : rot -139:sc= 0.916 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot 87:sc= 0.295 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0.0036 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 716 1.398 -2.576 0.967 1.00 13.00 N ATOM 2 CA LYS A 716 2.440 -2.256 -0.019 1.00 3.51 C ATOM 3 C LYS A 716 3.084 -3.528 -0.572 1.00 33.45 C ATOM 4 O LYS A 716 3.978 -3.463 -1.412 1.00 44.01 O ATOM 5 CB LYS A 716 3.528 -1.346 0.600 1.00 52.44 C ATOM 6 CG LYS A 716 4.613 -2.080 1.422 1.00 12.50 C ATOM 7 CD LYS A 716 4.037 -2.814 2.617 1.00 64.41 C ATOM 8 CE LYS A 716 5.070 -3.733 3.228 1.00 52.41 C ATOM 9 NZ LYS A 716 4.524 -4.515 4.347 1.00 41.34 N ATOM 0 HA LYS A 716 1.960 -1.722 -0.839 1.00 3.51 H new ATOM 0 HB2 LYS A 716 4.016 -0.793 -0.203 1.00 52.44 H new ATOM 0 HB3 LYS A 716 3.042 -0.612 1.243 1.00 52.44 H new ATOM 0 HG2 LYS A 716 5.133 -2.790 0.779 1.00 12.50 H new ATOM 0 HG3 LYS A 716 5.355 -1.359 1.765 1.00 12.50 H new ATOM 0 HD2 LYS A 716 3.696 -2.095 3.362 1.00 64.41 H new ATOM 0 HD3 LYS A 716 3.165 -3.392 2.310 1.00 64.41 H new ATOM 0 HE2 LYS A 716 5.448 -4.411 2.463 1.00 52.41 H new ATOM 0 HE3 LYS A 716 5.917 -3.143 3.578 1.00 52.41 H new ATOM 0 HZ1 LYS A 716 5.267 -5.131 4.735 1.00 41.34 H new ATOM 0 HZ2 LYS A 716 4.186 -3.870 5.089 1.00 41.34 H new ATOM 0 HZ3 LYS A 716 3.732 -5.098 4.009 1.00 41.34 H new ATOM 23 N LEU A 717 2.623 -4.671 -0.094 1.00 71.35 N ATOM 24 CA LEU A 717 3.199 -5.963 -0.457 1.00 51.35 C ATOM 25 C LEU A 717 3.222 -6.185 -1.965 1.00 52.04 C ATOM 26 O LEU A 717 4.217 -6.616 -2.500 1.00 40.41 O ATOM 27 CB LEU A 717 2.462 -7.109 0.251 1.00 55.21 C ATOM 28 CG LEU A 717 2.901 -8.535 -0.126 1.00 31.04 C ATOM 29 CD1 LEU A 717 4.384 -8.741 0.151 1.00 13.12 C ATOM 30 CD2 LEU A 717 2.069 -9.562 0.620 1.00 21.43 C ATOM 0 H LEU A 717 1.840 -4.734 0.556 1.00 71.35 H new ATOM 0 HA LEU A 717 4.235 -5.954 -0.120 1.00 51.35 H new ATOM 0 HB2 LEU A 717 2.588 -6.985 1.326 1.00 55.21 H new ATOM 0 HB3 LEU A 717 1.397 -7.012 0.042 1.00 55.21 H new ATOM 0 HG LEU A 717 2.737 -8.668 -1.195 1.00 31.04 H new ATOM 0 HD11 LEU A 717 4.668 -9.757 -0.124 1.00 13.12 H new ATOM 0 HD12 LEU A 717 4.966 -8.030 -0.436 1.00 13.12 H new ATOM 0 HD13 LEU A 717 4.581 -8.584 1.211 1.00 13.12 H new ATOM 0 HD21 LEU A 717 2.393 -10.565 0.341 1.00 21.43 H new ATOM 0 HD22 LEU A 717 2.198 -9.424 1.694 1.00 21.43 H new ATOM 0 HD23 LEU A 717 1.018 -9.436 0.362 1.00 21.43 H new ATOM 42 N LEU A 718 2.131 -5.855 -2.638 1.00 12.34 N ATOM 43 CA LEU A 718 2.045 -6.044 -4.096 1.00 41.33 C ATOM 44 C LEU A 718 3.142 -5.272 -4.817 1.00 63.33 C ATOM 45 O LEU A 718 3.691 -5.740 -5.820 1.00 0.13 O ATOM 46 CB LEU A 718 0.666 -5.624 -4.622 1.00 74.45 C ATOM 47 CG LEU A 718 -0.515 -6.474 -4.161 1.00 13.02 C ATOM 48 CD1 LEU A 718 -1.817 -5.917 -4.708 1.00 31.20 C ATOM 49 CD2 LEU A 718 -0.329 -7.917 -4.596 1.00 44.33 C ATOM 0 H LEU A 718 1.294 -5.458 -2.212 1.00 12.34 H new ATOM 0 HA LEU A 718 2.185 -7.106 -4.299 1.00 41.33 H new ATOM 0 HB2 LEU A 718 0.484 -4.592 -4.322 1.00 74.45 H new ATOM 0 HB3 LEU A 718 0.695 -5.639 -5.712 1.00 74.45 H new ATOM 0 HG LEU A 718 -0.559 -6.444 -3.072 1.00 13.02 H new ATOM 0 HD11 LEU A 718 -2.648 -6.536 -4.369 1.00 31.20 H new ATOM 0 HD12 LEU A 718 -1.955 -4.897 -4.351 1.00 31.20 H new ATOM 0 HD13 LEU A 718 -1.784 -5.918 -5.798 1.00 31.20 H new ATOM 0 HD21 LEU A 718 -1.179 -8.511 -4.260 1.00 44.33 H new ATOM 0 HD22 LEU A 718 -0.261 -7.963 -5.683 1.00 44.33 H new ATOM 0 HD23 LEU A 718 0.587 -8.314 -4.158 1.00 44.33 H new ATOM 61 N ILE A 719 3.455 -4.111 -4.304 1.00 15.41 N ATOM 62 CA ILE A 719 4.497 -3.282 -4.861 1.00 23.51 C ATOM 63 C ILE A 719 5.888 -3.760 -4.420 1.00 34.34 C ATOM 64 O ILE A 719 6.813 -3.860 -5.241 1.00 53.44 O ATOM 65 CB ILE A 719 4.297 -1.789 -4.464 1.00 4.34 C ATOM 66 CG1 ILE A 719 2.972 -1.263 -5.033 1.00 72.24 C ATOM 67 CG2 ILE A 719 5.470 -0.925 -4.932 1.00 25.14 C ATOM 68 CD1 ILE A 719 2.834 -1.446 -6.535 1.00 44.11 C ATOM 0 H ILE A 719 2.995 -3.711 -3.486 1.00 15.41 H new ATOM 0 HA ILE A 719 4.432 -3.367 -5.946 1.00 23.51 H new ATOM 0 HB ILE A 719 4.260 -1.729 -3.376 1.00 4.34 H new ATOM 0 HG12 ILE A 719 2.146 -1.773 -4.537 1.00 72.24 H new ATOM 0 HG13 ILE A 719 2.881 -0.203 -4.796 1.00 72.24 H new ATOM 0 HG21 ILE A 719 5.299 0.111 -4.639 1.00 25.14 H new ATOM 0 HG22 ILE A 719 6.392 -1.284 -4.474 1.00 25.14 H new ATOM 0 HG23 ILE A 719 5.556 -0.986 -6.017 1.00 25.14 H new ATOM 0 HD11 ILE A 719 1.873 -1.050 -6.863 1.00 44.11 H new ATOM 0 HD12 ILE A 719 3.638 -0.912 -7.042 1.00 44.11 H new ATOM 0 HD13 ILE A 719 2.892 -2.507 -6.779 1.00 44.11 H new ATOM 80 N THR A 720 6.025 -4.083 -3.133 1.00 41.31 N ATOM 81 CA THR A 720 7.313 -4.474 -2.574 1.00 15.52 C ATOM 82 C THR A 720 7.829 -5.779 -3.205 1.00 12.31 C ATOM 83 O THR A 720 9.000 -6.079 -3.122 1.00 54.21 O ATOM 84 CB THR A 720 7.265 -4.612 -1.007 1.00 71.34 C ATOM 85 OG1 THR A 720 8.595 -4.465 -0.458 1.00 62.05 O ATOM 86 CG2 THR A 720 6.718 -5.971 -0.598 1.00 20.14 C ATOM 0 H THR A 720 5.258 -4.080 -2.461 1.00 41.31 H new ATOM 0 HA THR A 720 8.009 -3.671 -2.817 1.00 15.52 H new ATOM 0 HB THR A 720 6.610 -3.831 -0.622 1.00 71.34 H new ATOM 0 HG1 THR A 720 8.557 -4.550 0.518 1.00 62.05 H new ATOM 0 HG21 THR A 720 6.695 -6.042 0.489 1.00 20.14 H new ATOM 0 HG22 THR A 720 5.708 -6.090 -0.991 1.00 20.14 H new ATOM 0 HG23 THR A 720 7.358 -6.757 -0.999 1.00 20.14 H new ATOM 94 N ILE A 721 6.931 -6.538 -3.837 1.00 44.33 N ATOM 95 CA ILE A 721 7.315 -7.749 -4.547 1.00 0.01 C ATOM 96 C ILE A 721 8.327 -7.419 -5.644 1.00 50.14 C ATOM 97 O ILE A 721 9.290 -8.153 -5.859 1.00 2.31 O ATOM 98 CB ILE A 721 6.079 -8.458 -5.180 1.00 75.52 C ATOM 99 CG1 ILE A 721 5.128 -8.951 -4.084 1.00 14.40 C ATOM 100 CG2 ILE A 721 6.516 -9.621 -6.070 1.00 15.15 C ATOM 101 CD1 ILE A 721 3.843 -9.561 -4.606 1.00 14.32 C ATOM 0 H ILE A 721 5.933 -6.331 -3.869 1.00 44.33 H new ATOM 0 HA ILE A 721 7.765 -8.426 -3.821 1.00 0.01 H new ATOM 0 HB ILE A 721 5.551 -7.734 -5.801 1.00 75.52 H new ATOM 0 HG12 ILE A 721 5.647 -9.691 -3.474 1.00 14.40 H new ATOM 0 HG13 ILE A 721 4.881 -8.115 -3.430 1.00 14.40 H new ATOM 0 HG21 ILE A 721 5.637 -10.100 -6.500 1.00 15.15 H new ATOM 0 HG22 ILE A 721 7.154 -9.247 -6.871 1.00 15.15 H new ATOM 0 HG23 ILE A 721 7.070 -10.347 -5.474 1.00 15.15 H new ATOM 0 HD11 ILE A 721 3.227 -9.884 -3.767 1.00 14.32 H new ATOM 0 HD12 ILE A 721 3.299 -8.819 -5.191 1.00 14.32 H new ATOM 0 HD13 ILE A 721 4.077 -10.419 -5.236 1.00 14.32 H new ATOM 113 N HIS A 722 8.125 -6.298 -6.300 1.00 34.54 N ATOM 114 CA HIS A 722 8.995 -5.892 -7.375 1.00 32.42 C ATOM 115 C HIS A 722 10.375 -5.549 -6.839 1.00 52.22 C ATOM 116 O HIS A 722 11.384 -5.804 -7.485 1.00 72.15 O ATOM 117 CB HIS A 722 8.407 -4.704 -8.117 1.00 2.21 C ATOM 118 CG HIS A 722 8.850 -4.620 -9.527 1.00 42.35 C ATOM 119 ND1 HIS A 722 9.433 -3.506 -10.078 1.00 1.21 N ATOM 120 CD2 HIS A 722 8.773 -5.523 -10.512 1.00 41.34 C ATOM 121 CE1 HIS A 722 9.696 -3.733 -11.343 1.00 13.41 C ATOM 122 NE2 HIS A 722 9.303 -4.951 -11.630 1.00 55.04 N ATOM 0 H HIS A 722 7.362 -5.650 -6.105 1.00 34.54 H new ATOM 0 HA HIS A 722 9.090 -6.723 -8.074 1.00 32.42 H new ATOM 0 HB2 HIS A 722 7.319 -4.768 -8.088 1.00 2.21 H new ATOM 0 HB3 HIS A 722 8.687 -3.786 -7.600 1.00 2.21 H new ATOM 0 HD2 HIS A 722 8.366 -6.520 -10.435 1.00 41.34 H new ATOM 0 HE1 HIS A 722 10.156 -3.038 -12.029 1.00 13.41 H new ATOM 0 HE2 HIS A 722 9.381 -5.398 -12.543 1.00 55.04 H new ATOM 131 N ASP A 723 10.405 -4.997 -5.650 1.00 73.24 N ATOM 132 CA ASP A 723 11.667 -4.650 -4.987 1.00 43.21 C ATOM 133 C ASP A 723 12.251 -5.862 -4.281 1.00 20.12 C ATOM 134 O ASP A 723 13.438 -5.900 -3.968 1.00 13.22 O ATOM 135 CB ASP A 723 11.461 -3.508 -3.967 1.00 65.42 C ATOM 136 CG ASP A 723 11.278 -2.148 -4.612 1.00 61.21 C ATOM 137 OD1 ASP A 723 12.300 -1.499 -4.939 1.00 62.55 O ATOM 138 OD2 ASP A 723 10.112 -1.707 -4.777 1.00 55.12 O ATOM 0 H ASP A 723 9.571 -4.772 -5.108 1.00 73.24 H new ATOM 0 HA ASP A 723 12.363 -4.313 -5.756 1.00 43.21 H new ATOM 0 HB2 ASP A 723 10.588 -3.732 -3.355 1.00 65.42 H new ATOM 0 HB3 ASP A 723 12.320 -3.471 -3.296 1.00 65.42 H new ATOM 143 N ARG A 724 11.406 -6.852 -4.039 1.00 11.35 N ATOM 144 CA ARG A 724 11.795 -8.072 -3.358 1.00 34.41 C ATOM 145 C ARG A 724 12.870 -8.805 -4.127 1.00 3.43 C ATOM 146 O ARG A 724 13.852 -9.237 -3.558 1.00 21.24 O ATOM 147 CB ARG A 724 10.577 -8.982 -3.147 1.00 22.25 C ATOM 148 CG ARG A 724 10.832 -10.158 -2.232 1.00 73.43 C ATOM 149 CD ARG A 724 9.580 -10.969 -2.017 1.00 61.44 C ATOM 150 NE ARG A 724 9.741 -11.947 -0.937 1.00 11.31 N ATOM 151 CZ ARG A 724 8.740 -12.645 -0.387 1.00 14.45 C ATOM 152 NH1 ARG A 724 7.511 -12.581 -0.904 1.00 30.53 N ATOM 153 NH2 ARG A 724 8.980 -13.436 0.654 1.00 41.03 N ATOM 0 H ARG A 724 10.424 -6.829 -4.313 1.00 11.35 H new ATOM 0 HA ARG A 724 12.201 -7.798 -2.384 1.00 34.41 H new ATOM 0 HB2 ARG A 724 9.760 -8.388 -2.737 1.00 22.25 H new ATOM 0 HB3 ARG A 724 10.245 -9.355 -4.116 1.00 22.25 H new ATOM 0 HG2 ARG A 724 11.609 -10.792 -2.660 1.00 73.43 H new ATOM 0 HG3 ARG A 724 11.205 -9.800 -1.272 1.00 73.43 H new ATOM 0 HD2 ARG A 724 8.751 -10.302 -1.782 1.00 61.44 H new ATOM 0 HD3 ARG A 724 9.320 -11.487 -2.940 1.00 61.44 H new ATOM 0 HE ARG A 724 10.683 -12.107 -0.579 1.00 11.31 H new ATOM 0 HH11 ARG A 724 7.331 -11.998 -1.722 1.00 30.53 H new ATOM 0 HH12 ARG A 724 6.751 -13.115 -0.481 1.00 30.53 H new ATOM 0 HH21 ARG A 724 9.925 -13.510 1.031 1.00 41.03 H new ATOM 0 HH22 ARG A 724 8.219 -13.969 1.075 1.00 41.03 H new ATOM 167 N LYS A 725 12.684 -8.913 -5.428 1.00 53.42 N ATOM 168 CA LYS A 725 13.661 -9.582 -6.309 1.00 43.21 C ATOM 169 C LYS A 725 14.989 -8.851 -6.324 1.00 63.01 C ATOM 170 O LYS A 725 16.020 -9.417 -6.685 1.00 12.14 O ATOM 171 CB LYS A 725 13.116 -9.712 -7.734 1.00 20.12 C ATOM 172 CG LYS A 725 12.579 -11.100 -8.084 1.00 12.44 C ATOM 173 CD LYS A 725 11.444 -11.526 -7.166 1.00 34.14 C ATOM 174 CE LYS A 725 10.246 -10.599 -7.279 1.00 31.34 C ATOM 175 NZ LYS A 725 9.702 -10.556 -8.642 1.00 0.53 N ATOM 0 H LYS A 725 11.865 -8.548 -5.914 1.00 53.42 H new ATOM 0 HA LYS A 725 13.828 -10.581 -5.906 1.00 43.21 H new ATOM 0 HB2 LYS A 725 12.318 -8.982 -7.872 1.00 20.12 H new ATOM 0 HB3 LYS A 725 13.908 -9.455 -8.437 1.00 20.12 H new ATOM 0 HG2 LYS A 725 12.229 -11.102 -9.116 1.00 12.44 H new ATOM 0 HG3 LYS A 725 13.388 -11.827 -8.020 1.00 12.44 H new ATOM 0 HD2 LYS A 725 11.140 -12.543 -7.412 1.00 34.14 H new ATOM 0 HD3 LYS A 725 11.797 -11.539 -6.135 1.00 34.14 H new ATOM 0 HE2 LYS A 725 9.468 -10.928 -6.590 1.00 31.34 H new ATOM 0 HE3 LYS A 725 10.537 -9.594 -6.974 1.00 31.34 H new ATOM 0 HZ1 LYS A 725 8.777 -10.080 -8.632 1.00 0.53 H new ATOM 0 HZ2 LYS A 725 10.354 -10.032 -9.260 1.00 0.53 H new ATOM 0 HZ3 LYS A 725 9.588 -11.525 -9.001 1.00 0.53 H new ATOM 189 N GLU A 726 14.959 -7.613 -5.946 1.00 1.12 N ATOM 190 CA GLU A 726 16.118 -6.807 -5.946 1.00 51.15 C ATOM 191 C GLU A 726 16.747 -6.743 -4.536 1.00 43.10 C ATOM 192 O GLU A 726 17.702 -7.460 -4.242 1.00 22.31 O ATOM 193 CB GLU A 726 15.773 -5.414 -6.451 1.00 32.23 C ATOM 194 CG GLU A 726 16.952 -4.503 -6.647 1.00 62.51 C ATOM 195 CD GLU A 726 16.549 -3.200 -7.242 1.00 74.30 C ATOM 196 OE1 GLU A 726 16.352 -3.142 -8.480 1.00 12.42 O ATOM 197 OE2 GLU A 726 16.410 -2.215 -6.495 1.00 71.23 O ATOM 0 H GLU A 726 14.116 -7.136 -5.627 1.00 1.12 H new ATOM 0 HA GLU A 726 16.856 -7.251 -6.614 1.00 51.15 H new ATOM 0 HB2 GLU A 726 15.243 -5.508 -7.399 1.00 32.23 H new ATOM 0 HB3 GLU A 726 15.085 -4.948 -5.746 1.00 32.23 H new ATOM 0 HG2 GLU A 726 17.441 -4.329 -5.688 1.00 62.51 H new ATOM 0 HG3 GLU A 726 17.683 -4.988 -7.294 1.00 62.51 H new ATOM 204 N PHE A 727 16.181 -5.910 -3.679 1.00 61.41 N ATOM 205 CA PHE A 727 16.738 -5.666 -2.351 1.00 23.21 C ATOM 206 C PHE A 727 16.400 -6.777 -1.362 1.00 41.02 C ATOM 207 O PHE A 727 17.281 -7.289 -0.666 1.00 25.01 O ATOM 208 CB PHE A 727 16.275 -4.302 -1.811 1.00 42.41 C ATOM 209 CG PHE A 727 16.673 -4.034 -0.375 1.00 73.11 C ATOM 210 CD1 PHE A 727 17.988 -4.178 0.039 1.00 0.13 C ATOM 211 CD2 PHE A 727 15.730 -3.642 0.551 1.00 11.53 C ATOM 212 CE1 PHE A 727 18.347 -3.935 1.346 1.00 43.11 C ATOM 213 CE2 PHE A 727 16.082 -3.397 1.861 1.00 42.31 C ATOM 214 CZ PHE A 727 17.393 -3.543 2.258 1.00 63.01 C ATOM 0 H PHE A 727 15.329 -5.386 -3.878 1.00 61.41 H new ATOM 0 HA PHE A 727 17.823 -5.656 -2.459 1.00 23.21 H new ATOM 0 HB2 PHE A 727 16.687 -3.515 -2.443 1.00 42.41 H new ATOM 0 HB3 PHE A 727 15.190 -4.241 -1.893 1.00 42.41 H new ATOM 0 HD1 PHE A 727 18.740 -4.485 -0.672 1.00 0.13 H new ATOM 0 HD2 PHE A 727 14.701 -3.525 0.246 1.00 11.53 H new ATOM 0 HE1 PHE A 727 19.375 -4.052 1.655 1.00 43.11 H new ATOM 0 HE2 PHE A 727 15.331 -3.091 2.575 1.00 42.31 H new ATOM 0 HZ PHE A 727 17.672 -3.350 3.283 1.00 63.01 H new ATOM 224 N ALA A 728 15.129 -7.147 -1.302 1.00 20.51 N ATOM 225 CA ALA A 728 14.651 -8.099 -0.290 1.00 32.25 C ATOM 226 C ALA A 728 15.384 -9.410 -0.342 1.00 70.34 C ATOM 227 O ALA A 728 15.588 -10.027 0.670 1.00 1.13 O ATOM 228 CB ALA A 728 13.194 -8.328 -0.421 1.00 0.01 C ATOM 0 H ALA A 728 14.406 -6.808 -1.937 1.00 20.51 H new ATOM 0 HA ALA A 728 14.855 -7.646 0.680 1.00 32.25 H new ATOM 0 HB1 ALA A 728 12.867 -9.036 0.340 1.00 0.01 H new ATOM 0 HB2 ALA A 728 12.664 -7.384 -0.290 1.00 0.01 H new ATOM 0 HB3 ALA A 728 12.977 -8.732 -1.410 1.00 0.01 H new ATOM 234 N LYS A 729 15.790 -9.828 -1.540 1.00 50.34 N ATOM 235 CA LYS A 729 16.524 -11.093 -1.709 1.00 25.53 C ATOM 236 C LYS A 729 17.723 -11.168 -0.782 1.00 1.32 C ATOM 237 O LYS A 729 18.112 -12.241 -0.356 1.00 4.34 O ATOM 238 CB LYS A 729 16.974 -11.291 -3.160 1.00 42.21 C ATOM 239 CG LYS A 729 15.847 -11.485 -4.201 1.00 1.14 C ATOM 240 CD LYS A 729 14.955 -12.702 -3.903 1.00 74.12 C ATOM 241 CE LYS A 729 13.846 -12.354 -2.923 1.00 65.33 C ATOM 242 NZ LYS A 729 12.978 -13.494 -2.632 1.00 0.42 N ATOM 0 H LYS A 729 15.627 -9.316 -2.407 1.00 50.34 H new ATOM 0 HA LYS A 729 15.834 -11.895 -1.448 1.00 25.53 H new ATOM 0 HB2 LYS A 729 17.569 -10.427 -3.456 1.00 42.21 H new ATOM 0 HB3 LYS A 729 17.631 -12.160 -3.200 1.00 42.21 H new ATOM 0 HG2 LYS A 729 15.229 -10.587 -4.231 1.00 1.14 H new ATOM 0 HG3 LYS A 729 16.290 -11.600 -5.190 1.00 1.14 H new ATOM 0 HD2 LYS A 729 14.519 -13.071 -4.831 1.00 74.12 H new ATOM 0 HD3 LYS A 729 15.563 -13.509 -3.494 1.00 74.12 H new ATOM 0 HE2 LYS A 729 14.287 -11.991 -1.995 1.00 65.33 H new ATOM 0 HE3 LYS A 729 13.247 -11.540 -3.331 1.00 65.33 H new ATOM 0 HZ1 LYS A 729 12.642 -13.433 -1.650 1.00 0.42 H new ATOM 0 HZ2 LYS A 729 12.163 -13.484 -3.278 1.00 0.42 H new ATOM 0 HZ3 LYS A 729 13.511 -14.378 -2.761 1.00 0.42 H new ATOM 256 N PHE A 730 18.284 -10.025 -0.467 1.00 22.54 N ATOM 257 CA PHE A 730 19.418 -9.950 0.415 1.00 53.11 C ATOM 258 C PHE A 730 19.029 -10.252 1.837 1.00 34.53 C ATOM 259 O PHE A 730 19.562 -11.176 2.448 1.00 63.35 O ATOM 260 CB PHE A 730 20.058 -8.591 0.338 1.00 50.13 C ATOM 261 CG PHE A 730 20.796 -8.338 -0.928 1.00 22.33 C ATOM 262 CD1 PHE A 730 22.120 -8.703 -1.055 1.00 31.45 C ATOM 263 CD2 PHE A 730 20.168 -7.732 -1.995 1.00 51.10 C ATOM 264 CE1 PHE A 730 22.808 -8.467 -2.227 1.00 33.22 C ATOM 265 CE2 PHE A 730 20.845 -7.492 -3.171 1.00 53.01 C ATOM 266 CZ PHE A 730 22.167 -7.860 -3.287 1.00 64.52 C ATOM 0 H PHE A 730 17.965 -9.121 -0.817 1.00 22.54 H new ATOM 0 HA PHE A 730 20.137 -10.703 0.090 1.00 53.11 H new ATOM 0 HB2 PHE A 730 19.286 -7.831 0.454 1.00 50.13 H new ATOM 0 HB3 PHE A 730 20.746 -8.477 1.176 1.00 50.13 H new ATOM 0 HD1 PHE A 730 22.624 -9.179 -0.227 1.00 31.45 H new ATOM 0 HD2 PHE A 730 19.131 -7.441 -1.908 1.00 51.10 H new ATOM 0 HE1 PHE A 730 23.845 -8.756 -2.314 1.00 33.22 H new ATOM 0 HE2 PHE A 730 20.340 -7.017 -3.999 1.00 53.01 H new ATOM 0 HZ PHE A 730 22.701 -7.674 -4.207 1.00 64.52 H new ATOM 276 N GLU A 731 18.103 -9.475 2.373 1.00 12.21 N ATOM 277 CA GLU A 731 17.657 -9.674 3.746 1.00 74.31 C ATOM 278 C GLU A 731 17.004 -11.027 3.902 1.00 62.14 C ATOM 279 O GLU A 731 17.077 -11.645 4.963 1.00 64.42 O ATOM 280 CB GLU A 731 16.693 -8.579 4.173 1.00 23.14 C ATOM 281 CG GLU A 731 15.388 -8.577 3.414 1.00 64.25 C ATOM 282 CD GLU A 731 14.406 -7.573 3.937 1.00 12.35 C ATOM 283 OE1 GLU A 731 14.663 -6.356 3.813 1.00 63.21 O ATOM 284 OE2 GLU A 731 13.361 -7.990 4.489 1.00 22.40 O ATOM 0 H GLU A 731 17.647 -8.705 1.884 1.00 12.21 H new ATOM 0 HA GLU A 731 18.535 -9.629 4.390 1.00 74.31 H new ATOM 0 HB2 GLU A 731 16.482 -8.690 5.237 1.00 23.14 H new ATOM 0 HB3 GLU A 731 17.178 -7.612 4.043 1.00 23.14 H new ATOM 0 HG2 GLU A 731 15.586 -8.369 2.363 1.00 64.25 H new ATOM 0 HG3 GLU A 731 14.944 -9.571 3.464 1.00 64.25 H new ATOM 291 N GLU A 732 16.380 -11.496 2.831 1.00 64.24 N ATOM 292 CA GLU A 732 15.710 -12.757 2.837 1.00 20.33 C ATOM 293 C GLU A 732 16.655 -13.903 3.019 1.00 30.35 C ATOM 294 O GLU A 732 16.287 -14.906 3.551 1.00 74.01 O ATOM 295 CB GLU A 732 14.810 -12.947 1.631 1.00 30.14 C ATOM 296 CG GLU A 732 13.539 -12.093 1.692 1.00 22.33 C ATOM 297 CD GLU A 732 12.409 -12.644 0.860 1.00 64.50 C ATOM 298 OE1 GLU A 732 12.338 -12.338 -0.325 1.00 60.05 O ATOM 299 OE2 GLU A 732 11.563 -13.390 1.411 1.00 14.12 O ATOM 0 H GLU A 732 16.333 -11.001 1.940 1.00 64.24 H new ATOM 0 HA GLU A 732 15.057 -12.747 3.710 1.00 20.33 H new ATOM 0 HB2 GLU A 732 15.366 -12.698 0.727 1.00 30.14 H new ATOM 0 HB3 GLU A 732 14.532 -13.998 1.554 1.00 30.14 H new ATOM 0 HG2 GLU A 732 13.212 -12.014 2.729 1.00 22.33 H new ATOM 0 HG3 GLU A 732 13.772 -11.083 1.353 1.00 22.33 H new ATOM 306 N GLU A 733 17.880 -13.747 2.566 1.00 34.44 N ATOM 307 CA GLU A 733 18.895 -14.771 2.789 1.00 23.12 C ATOM 308 C GLU A 733 19.012 -15.093 4.283 1.00 54.25 C ATOM 309 O GLU A 733 18.984 -16.251 4.676 1.00 13.55 O ATOM 310 CB GLU A 733 20.240 -14.330 2.232 1.00 74.30 C ATOM 311 CG GLU A 733 20.227 -14.109 0.747 1.00 25.53 C ATOM 312 CD GLU A 733 21.561 -13.686 0.203 1.00 43.44 C ATOM 313 OE1 GLU A 733 21.828 -12.465 0.137 1.00 32.55 O ATOM 314 OE2 GLU A 733 22.352 -14.566 -0.175 1.00 50.11 O ATOM 0 H GLU A 733 18.202 -12.931 2.045 1.00 34.44 H new ATOM 0 HA GLU A 733 18.589 -15.675 2.262 1.00 23.12 H new ATOM 0 HB2 GLU A 733 20.545 -13.408 2.726 1.00 74.30 H new ATOM 0 HB3 GLU A 733 20.990 -15.084 2.473 1.00 74.30 H new ATOM 0 HG2 GLU A 733 19.914 -15.028 0.252 1.00 25.53 H new ATOM 0 HG3 GLU A 733 19.485 -13.348 0.505 1.00 25.53 H new ATOM 321 N ARG A 734 19.142 -14.054 5.099 1.00 54.20 N ATOM 322 CA ARG A 734 19.175 -14.212 6.547 1.00 32.12 C ATOM 323 C ARG A 734 17.771 -14.539 7.096 1.00 61.44 C ATOM 324 O ARG A 734 17.614 -15.399 7.973 1.00 70.21 O ATOM 325 CB ARG A 734 19.728 -12.947 7.220 1.00 41.14 C ATOM 326 CG ARG A 734 19.890 -13.061 8.736 1.00 52.04 C ATOM 327 CD ARG A 734 20.914 -14.126 9.106 1.00 73.34 C ATOM 328 NE ARG A 734 21.011 -14.323 10.561 1.00 40.22 N ATOM 329 CZ ARG A 734 21.917 -15.108 11.169 1.00 1.32 C ATOM 330 NH1 ARG A 734 22.833 -15.768 10.450 1.00 15.20 N ATOM 331 NH2 ARG A 734 21.904 -15.232 12.490 1.00 52.44 N ATOM 0 H ARG A 734 19.227 -13.089 4.780 1.00 54.20 H new ATOM 0 HA ARG A 734 19.838 -15.046 6.778 1.00 32.12 H new ATOM 0 HB2 ARG A 734 20.696 -12.709 6.780 1.00 41.14 H new ATOM 0 HB3 ARG A 734 19.063 -12.112 6.999 1.00 41.14 H new ATOM 0 HG2 ARG A 734 20.200 -12.099 9.144 1.00 52.04 H new ATOM 0 HG3 ARG A 734 18.929 -13.305 9.189 1.00 52.04 H new ATOM 0 HD2 ARG A 734 20.643 -15.069 8.631 1.00 73.34 H new ATOM 0 HD3 ARG A 734 21.890 -13.841 8.714 1.00 73.34 H new ATOM 0 HE ARG A 734 20.342 -13.828 11.151 1.00 40.22 H new ATOM 0 HH11 ARG A 734 22.846 -15.677 9.434 1.00 15.20 H new ATOM 0 HH12 ARG A 734 23.518 -16.362 10.918 1.00 15.20 H new ATOM 0 HH21 ARG A 734 21.207 -14.732 13.042 1.00 52.44 H new ATOM 0 HH22 ARG A 734 22.591 -15.827 12.953 1.00 52.44 H new ATOM 345 N ALA A 735 16.767 -13.844 6.576 1.00 33.03 N ATOM 346 CA ALA A 735 15.381 -14.007 7.025 1.00 41.05 C ATOM 347 C ALA A 735 14.875 -15.438 6.797 1.00 72.34 C ATOM 348 O ALA A 735 14.452 -16.114 7.729 1.00 64.34 O ATOM 349 CB ALA A 735 14.477 -12.997 6.314 1.00 50.32 C ATOM 0 H ALA A 735 16.885 -13.154 5.834 1.00 33.03 H new ATOM 0 HA ALA A 735 15.352 -13.819 8.098 1.00 41.05 H new ATOM 0 HB1 ALA A 735 13.449 -13.126 6.654 1.00 50.32 H new ATOM 0 HB2 ALA A 735 14.811 -11.985 6.544 1.00 50.32 H new ATOM 0 HB3 ALA A 735 14.526 -13.160 5.237 1.00 50.32 H new ATOM 355 N ARG A 736 14.953 -15.881 5.573 1.00 2.10 N ATOM 356 CA ARG A 736 14.479 -17.199 5.166 1.00 41.01 C ATOM 357 C ARG A 736 15.375 -18.303 5.750 1.00 63.13 C ATOM 358 O ARG A 736 14.996 -19.459 5.795 1.00 4.32 O ATOM 359 CB ARG A 736 14.466 -17.277 3.624 1.00 34.53 C ATOM 360 CG ARG A 736 13.931 -18.564 3.044 1.00 44.32 C ATOM 361 CD ARG A 736 14.105 -18.592 1.533 1.00 52.23 C ATOM 362 NE ARG A 736 15.529 -18.521 1.143 1.00 22.55 N ATOM 363 CZ ARG A 736 15.987 -18.518 -0.132 1.00 2.12 C ATOM 364 NH1 ARG A 736 15.131 -18.522 -1.163 1.00 70.01 N ATOM 365 NH2 ARG A 736 17.299 -18.490 -0.365 1.00 35.42 N ATOM 0 H ARG A 736 15.352 -15.337 4.808 1.00 2.10 H new ATOM 0 HA ARG A 736 13.469 -17.350 5.547 1.00 41.01 H new ATOM 0 HB2 ARG A 736 13.869 -16.450 3.241 1.00 34.53 H new ATOM 0 HB3 ARG A 736 15.483 -17.130 3.261 1.00 34.53 H new ATOM 0 HG2 ARG A 736 14.451 -19.412 3.490 1.00 44.32 H new ATOM 0 HG3 ARG A 736 12.875 -18.669 3.295 1.00 44.32 H new ATOM 0 HD2 ARG A 736 13.664 -19.505 1.133 1.00 52.23 H new ATOM 0 HD3 ARG A 736 13.564 -17.756 1.089 1.00 52.23 H new ATOM 0 HE ARG A 736 16.220 -18.470 1.892 1.00 22.55 H new ATOM 0 HH11 ARG A 736 14.126 -18.527 -0.991 1.00 70.01 H new ATOM 0 HH12 ARG A 736 15.485 -18.520 -2.120 1.00 70.01 H new ATOM 0 HH21 ARG A 736 17.955 -18.471 0.416 1.00 35.42 H new ATOM 0 HH22 ARG A 736 17.647 -18.488 -1.324 1.00 35.42 H new ATOM 379 N ALA A 737 16.552 -17.917 6.209 1.00 23.04 N ATOM 380 CA ALA A 737 17.501 -18.862 6.788 1.00 62.53 C ATOM 381 C ALA A 737 16.946 -19.492 8.065 1.00 22.13 C ATOM 382 O ALA A 737 17.238 -20.646 8.378 1.00 1.32 O ATOM 383 CB ALA A 737 18.818 -18.179 7.072 1.00 5.24 C ATOM 0 H ALA A 737 16.878 -16.951 6.193 1.00 23.04 H new ATOM 0 HA ALA A 737 17.665 -19.658 6.062 1.00 62.53 H new ATOM 0 HB1 ALA A 737 19.515 -18.897 7.504 1.00 5.24 H new ATOM 0 HB2 ALA A 737 19.231 -17.785 6.143 1.00 5.24 H new ATOM 0 HB3 ALA A 737 18.659 -17.361 7.774 1.00 5.24 H new ATOM 389 N LYS A 738 16.155 -18.729 8.797 1.00 63.44 N ATOM 390 CA LYS A 738 15.555 -19.210 10.024 1.00 21.13 C ATOM 391 C LYS A 738 14.047 -19.190 9.932 1.00 41.42 C ATOM 392 O LYS A 738 13.362 -19.998 10.557 1.00 71.42 O ATOM 393 CB LYS A 738 16.015 -18.374 11.239 1.00 21.25 C ATOM 394 CG LYS A 738 17.470 -18.589 11.666 1.00 20.25 C ATOM 395 CD LYS A 738 18.460 -17.887 10.744 1.00 14.40 C ATOM 396 CE LYS A 738 19.888 -17.992 11.278 1.00 72.24 C ATOM 397 NZ LYS A 738 20.373 -19.391 11.333 1.00 1.45 N ATOM 0 H LYS A 738 15.913 -17.767 8.559 1.00 63.44 H new ATOM 0 HA LYS A 738 15.887 -20.239 10.165 1.00 21.13 H new ATOM 0 HB2 LYS A 738 15.873 -17.318 11.008 1.00 21.25 H new ATOM 0 HB3 LYS A 738 15.367 -18.605 12.085 1.00 21.25 H new ATOM 0 HG2 LYS A 738 17.604 -18.223 12.684 1.00 20.25 H new ATOM 0 HG3 LYS A 738 17.687 -19.657 11.680 1.00 20.25 H new ATOM 0 HD2 LYS A 738 18.409 -18.328 9.749 1.00 14.40 H new ATOM 0 HD3 LYS A 738 18.184 -16.837 10.642 1.00 14.40 H new ATOM 0 HE2 LYS A 738 20.553 -17.405 10.645 1.00 72.24 H new ATOM 0 HE3 LYS A 738 19.932 -17.556 12.276 1.00 72.24 H new ATOM 0 HZ1 LYS A 738 21.367 -19.402 11.637 1.00 1.45 H new ATOM 0 HZ2 LYS A 738 19.798 -19.931 12.010 1.00 1.45 H new ATOM 0 HZ3 LYS A 738 20.295 -19.823 10.390 1.00 1.45 H new ATOM 411 N TRP A 739 13.530 -18.274 9.153 1.00 60.21 N ATOM 412 CA TRP A 739 12.099 -18.082 9.047 1.00 64.51 C ATOM 413 C TRP A 739 11.633 -18.288 7.637 1.00 1.42 C ATOM 414 O TRP A 739 10.823 -17.527 7.119 1.00 4.41 O ATOM 415 CB TRP A 739 11.711 -16.695 9.553 1.00 74.04 C ATOM 416 CG TRP A 739 12.154 -16.448 10.952 1.00 34.24 C ATOM 417 CD1 TRP A 739 13.412 -16.137 11.361 1.00 41.33 C ATOM 418 CD2 TRP A 739 11.350 -16.496 12.130 1.00 51.53 C ATOM 419 NE1 TRP A 739 13.453 -16.009 12.708 1.00 75.00 N ATOM 420 CE2 TRP A 739 12.193 -16.211 13.215 1.00 72.22 C ATOM 421 CE3 TRP A 739 9.999 -16.750 12.374 1.00 72.21 C ATOM 422 CZ2 TRP A 739 11.734 -16.176 14.528 1.00 3.31 C ATOM 423 CZ3 TRP A 739 9.541 -16.712 13.678 1.00 4.14 C ATOM 424 CH2 TRP A 739 10.407 -16.428 14.738 1.00 3.31 C ATOM 0 H TRP A 739 14.083 -17.641 8.575 1.00 60.21 H new ATOM 0 HA TRP A 739 11.605 -18.826 9.672 1.00 64.51 H new ATOM 0 HB2 TRP A 739 12.147 -15.939 8.900 1.00 74.04 H new ATOM 0 HB3 TRP A 739 10.629 -16.581 9.494 1.00 74.04 H new ATOM 0 HD1 TRP A 739 14.260 -16.010 10.704 1.00 41.33 H new ATOM 0 HE1 TRP A 739 14.286 -15.797 13.258 1.00 75.00 H new ATOM 0 HE3 TRP A 739 9.325 -16.972 11.560 1.00 72.21 H new ATOM 0 HZ2 TRP A 739 12.400 -15.958 15.350 1.00 3.31 H new ATOM 0 HZ3 TRP A 739 8.498 -16.905 13.881 1.00 4.14 H new ATOM 0 HH2 TRP A 739 10.019 -16.407 15.746 1.00 3.31 H new ATOM 435 N ASP A 740 12.142 -19.321 7.028 1.00 5.12 N ATOM 436 CA ASP A 740 11.753 -19.726 5.668 1.00 13.42 C ATOM 437 C ASP A 740 10.236 -19.743 5.498 1.00 24.02 C ATOM 438 O ASP A 740 9.695 -19.091 4.603 1.00 51.43 O ATOM 439 CB ASP A 740 12.334 -21.108 5.367 1.00 12.14 C ATOM 440 CG ASP A 740 11.846 -21.690 4.068 1.00 24.54 C ATOM 441 OD1 ASP A 740 12.466 -21.428 3.035 1.00 74.13 O ATOM 442 OD2 ASP A 740 10.840 -22.441 4.085 1.00 11.33 O ATOM 0 H ASP A 740 12.848 -19.925 7.449 1.00 5.12 H new ATOM 0 HA ASP A 740 12.152 -18.995 4.964 1.00 13.42 H new ATOM 0 HB2 ASP A 740 13.421 -21.039 5.340 1.00 12.14 H new ATOM 0 HB3 ASP A 740 12.078 -21.787 6.180 1.00 12.14 H new ATOM 447 N THR A 741 9.564 -20.439 6.383 1.00 70.21 N ATOM 448 CA THR A 741 8.126 -20.600 6.295 1.00 1.13 C ATOM 449 C THR A 741 7.375 -19.268 6.617 1.00 2.20 C ATOM 450 O THR A 741 6.212 -19.088 6.240 1.00 30.34 O ATOM 451 CB THR A 741 7.614 -21.761 7.219 1.00 62.30 C ATOM 452 OG1 THR A 741 6.238 -22.050 6.929 1.00 20.33 O ATOM 453 CG2 THR A 741 7.754 -21.395 8.694 1.00 10.35 C ATOM 0 H THR A 741 9.992 -20.909 7.181 1.00 70.21 H new ATOM 0 HA THR A 741 7.903 -20.870 5.263 1.00 1.13 H new ATOM 0 HB THR A 741 8.225 -22.641 7.020 1.00 62.30 H new ATOM 0 HG1 THR A 741 5.927 -22.776 7.509 1.00 20.33 H new ATOM 0 HG21 THR A 741 7.391 -22.218 9.309 1.00 10.35 H new ATOM 0 HG22 THR A 741 8.802 -21.205 8.924 1.00 10.35 H new ATOM 0 HG23 THR A 741 7.168 -20.500 8.904 1.00 10.35 H new ATOM 461 N ALA A 742 8.049 -18.362 7.312 1.00 24.11 N ATOM 462 CA ALA A 742 7.445 -17.096 7.700 1.00 22.22 C ATOM 463 C ALA A 742 7.554 -16.054 6.579 1.00 44.02 C ATOM 464 O ALA A 742 6.742 -15.142 6.493 1.00 63.13 O ATOM 465 CB ALA A 742 8.077 -16.576 8.978 1.00 63.43 C ATOM 0 H ALA A 742 9.015 -18.481 7.619 1.00 24.11 H new ATOM 0 HA ALA A 742 6.385 -17.274 7.882 1.00 22.22 H new ATOM 0 HB1 ALA A 742 7.614 -15.629 9.254 1.00 63.43 H new ATOM 0 HB2 ALA A 742 7.927 -17.300 9.779 1.00 63.43 H new ATOM 0 HB3 ALA A 742 9.145 -16.425 8.821 1.00 63.43 H new ATOM 471 N ASN A 743 8.557 -16.202 5.729 1.00 64.41 N ATOM 472 CA ASN A 743 8.759 -15.258 4.608 1.00 5.42 C ATOM 473 C ASN A 743 8.122 -15.779 3.358 1.00 35.13 C ATOM 474 O ASN A 743 7.609 -15.011 2.533 1.00 21.12 O ATOM 475 CB ASN A 743 10.257 -15.018 4.354 1.00 55.52 C ATOM 476 CG ASN A 743 10.939 -14.279 5.475 1.00 43.23 C ATOM 477 OD1 ASN A 743 11.038 -13.050 5.462 1.00 40.45 O ATOM 478 ND2 ASN A 743 11.400 -15.003 6.440 1.00 1.31 N ATOM 0 H ASN A 743 9.245 -16.954 5.780 1.00 64.41 H new ATOM 0 HA ASN A 743 8.291 -14.313 4.884 1.00 5.42 H new ATOM 0 HB2 ASN A 743 10.752 -15.978 4.206 1.00 55.52 H new ATOM 0 HB3 ASN A 743 10.376 -14.453 3.430 1.00 55.52 H new ATOM 0 HD21 ASN A 743 11.867 -14.560 7.231 1.00 1.31 H new ATOM 0 HD22 ASN A 743 11.297 -16.017 6.411 1.00 1.31 H new ATOM 485 N ASN A 744 8.160 -17.063 3.200 1.00 74.04 N ATOM 486 CA ASN A 744 7.611 -17.695 2.040 1.00 64.01 C ATOM 487 C ASN A 744 6.286 -18.317 2.321 1.00 70.31 C ATOM 488 O ASN A 744 6.067 -18.882 3.389 1.00 45.44 O ATOM 489 CB ASN A 744 8.566 -18.712 1.500 1.00 14.41 C ATOM 490 CG ASN A 744 9.715 -18.080 0.757 1.00 71.44 C ATOM 491 OD1 ASN A 744 10.845 -18.538 0.838 1.00 70.15 O ATOM 492 ND2 ASN A 744 9.422 -17.048 -0.014 1.00 0.43 N ATOM 0 H ASN A 744 8.574 -17.707 3.874 1.00 74.04 H new ATOM 0 HA ASN A 744 7.454 -16.922 1.287 1.00 64.01 H new ATOM 0 HB2 ASN A 744 8.955 -19.314 2.321 1.00 14.41 H new ATOM 0 HB3 ASN A 744 8.033 -19.389 0.832 1.00 14.41 H new ATOM 0 HD21 ASN A 744 10.152 -16.603 -0.570 1.00 0.43 H new ATOM 0 HD22 ASN A 744 8.465 -16.696 -0.053 1.00 0.43 H new ATOM 499 N PRO A 745 5.369 -18.218 1.373 1.00 24.42 N ATOM 500 CA PRO A 745 4.042 -18.796 1.495 1.00 41.21 C ATOM 501 C PRO A 745 4.069 -20.324 1.524 1.00 74.54 C ATOM 502 O PRO A 745 3.813 -20.951 2.569 1.00 61.35 O ATOM 503 CB PRO A 745 3.320 -18.293 0.225 1.00 33.33 C ATOM 504 CG PRO A 745 4.423 -18.000 -0.733 1.00 63.33 C ATOM 505 CD PRO A 745 5.548 -17.504 0.090 1.00 24.15 C ATOM 0 HA PRO A 745 3.555 -18.506 2.426 1.00 41.21 H new ATOM 0 HB2 PRO A 745 2.639 -19.047 -0.171 1.00 33.33 H new ATOM 0 HB3 PRO A 745 2.725 -17.403 0.431 1.00 33.33 H new ATOM 0 HG2 PRO A 745 4.708 -18.894 -1.287 1.00 63.33 H new ATOM 0 HG3 PRO A 745 4.116 -17.255 -1.467 1.00 63.33 H new ATOM 0 HD2 PRO A 745 6.511 -17.731 -0.366 1.00 24.15 H new ATOM 0 HD3 PRO A 745 5.505 -16.423 0.221 1.00 24.15 H new ATOM 513 N LEU A 746 4.382 -20.904 0.410 1.00 45.42 N ATOM 514 CA LEU A 746 4.309 -22.318 0.251 1.00 1.21 C ATOM 515 C LEU A 746 5.631 -22.953 0.479 1.00 65.11 C ATOM 516 O LEU A 746 5.727 -23.973 1.149 1.00 21.32 O ATOM 517 CB LEU A 746 3.782 -22.659 -1.142 1.00 72.32 C ATOM 518 CG LEU A 746 3.894 -24.129 -1.584 1.00 42.24 C ATOM 519 CD1 LEU A 746 3.018 -25.027 -0.722 1.00 74.53 C ATOM 520 CD2 LEU A 746 3.535 -24.274 -3.048 1.00 51.13 C ATOM 0 H LEU A 746 4.698 -20.404 -0.421 1.00 45.42 H new ATOM 0 HA LEU A 746 3.620 -22.712 0.998 1.00 1.21 H new ATOM 0 HB2 LEU A 746 2.732 -22.369 -1.189 1.00 72.32 H new ATOM 0 HB3 LEU A 746 4.315 -22.044 -1.867 1.00 72.32 H new ATOM 0 HG LEU A 746 4.929 -24.444 -1.452 1.00 42.24 H new ATOM 0 HD11 LEU A 746 3.116 -26.060 -1.056 1.00 74.53 H new ATOM 0 HD12 LEU A 746 3.332 -24.951 0.319 1.00 74.53 H new ATOM 0 HD13 LEU A 746 1.978 -24.714 -0.811 1.00 74.53 H new ATOM 0 HD21 LEU A 746 3.620 -25.320 -3.342 1.00 51.13 H new ATOM 0 HD22 LEU A 746 2.511 -23.935 -3.207 1.00 51.13 H new ATOM 0 HD23 LEU A 746 4.215 -23.672 -3.651 1.00 51.13 H new HETATM 532 N PTR A 747 6.659 -22.350 -0.054 1.00 30.13 N HETATM 533 CA PTR A 747 7.951 -22.899 0.050 1.00 54.41 C HETATM 534 C PTR A 747 8.966 -21.853 -0.206 1.00 3.23 C HETATM 535 O PTR A 747 9.749 -21.518 0.654 1.00 5.33 O HETATM 536 CB PTR A 747 8.115 -23.991 -0.983 1.00 51.01 C HETATM 537 CG PTR A 747 9.264 -24.879 -0.739 1.00 21.53 C HETATM 538 CD1 PTR A 747 10.419 -24.663 -1.371 1.00 12.24 C HETATM 539 CD2 PTR A 747 9.185 -25.933 0.155 1.00 23.03 C HETATM 540 CE1 PTR A 747 11.519 -25.449 -1.153 1.00 24.10 C HETATM 541 CE2 PTR A 747 10.269 -26.740 0.389 1.00 44.33 C HETATM 542 CZ PTR A 747 11.442 -26.484 -0.272 1.00 22.12 C HETATM 543 OH PTR A 747 12.554 -27.267 -0.034 1.00 37.57 O HETATM 544 P PTR A 747 13.666 -26.910 1.008 1.00 37.57 P HETATM 545 O1P PTR A 747 13.270 -27.520 2.364 1.00 37.57 O HETATM 546 O2P PTR A 747 13.698 -25.359 1.195 1.00 37.57 O HETATM 547 O3P PTR A 747 14.831 -27.457 0.377 1.00 37.57 O HETATM 0 HE2 PTR A 747 10.199 -27.572 1.090 1.00 44.33 H new HETATM 0 HE1 PTR A 747 12.451 -25.247 -1.682 1.00 24.10 H new HETATM 0 HD2 PTR A 747 8.249 -26.124 0.680 1.00 23.03 H new HETATM 0 HD1 PTR A 747 10.489 -23.838 -2.080 1.00 12.24 H new HETATM 0 HB3 PTR A 747 7.205 -24.591 -1.010 1.00 51.01 H new HETATM 0 HB2 PTR A 747 8.225 -23.533 -1.966 1.00 51.01 H new HETATM 0 HA PTR A 747 8.084 -23.303 1.053 1.00 54.41 H new HETATM 0 H PTR A 747 6.541 -21.362 -0.278 1.00 30.13 H new ATOM 556 N LYS A 748 8.941 -21.337 -1.405 1.00 24.33 N ATOM 557 CA LYS A 748 9.899 -20.384 -1.871 1.00 31.05 C ATOM 558 C LYS A 748 9.227 -19.423 -2.788 1.00 53.24 C ATOM 559 O LYS A 748 8.113 -19.668 -3.232 1.00 44.10 O ATOM 560 CB LYS A 748 10.988 -21.098 -2.647 1.00 60.13 C ATOM 561 CG LYS A 748 11.915 -21.962 -1.825 1.00 11.25 C ATOM 562 CD LYS A 748 12.518 -21.206 -0.686 1.00 42.41 C ATOM 563 CE LYS A 748 13.410 -22.103 0.154 1.00 63.30 C ATOM 564 NZ LYS A 748 12.625 -23.057 0.964 1.00 71.41 N ATOM 0 H LYS A 748 8.233 -21.577 -2.099 1.00 24.33 H new ATOM 0 HA LYS A 748 10.328 -19.860 -1.017 1.00 31.05 H new ATOM 0 HB2 LYS A 748 10.518 -21.722 -3.408 1.00 60.13 H new ATOM 0 HB3 LYS A 748 11.585 -20.352 -3.171 1.00 60.13 H new ATOM 0 HG2 LYS A 748 11.365 -22.821 -1.440 1.00 11.25 H new ATOM 0 HG3 LYS A 748 12.709 -22.352 -2.463 1.00 11.25 H new ATOM 0 HD2 LYS A 748 13.098 -20.367 -1.069 1.00 42.41 H new ATOM 0 HD3 LYS A 748 11.727 -20.788 -0.063 1.00 42.41 H new ATOM 0 HE2 LYS A 748 14.089 -22.653 -0.498 1.00 63.30 H new ATOM 0 HE3 LYS A 748 14.026 -21.489 0.811 1.00 63.30 H new ATOM 0 HZ1 LYS A 748 12.990 -24.020 0.817 1.00 71.41 H new ATOM 0 HZ2 LYS A 748 12.705 -22.806 1.970 1.00 71.41 H new ATOM 0 HZ3 LYS A 748 11.627 -23.018 0.676 1.00 71.41 H new ATOM 578 N GLU A 749 9.870 -18.357 -3.075 1.00 23.34 N ATOM 579 CA GLU A 749 9.329 -17.404 -4.020 1.00 11.23 C ATOM 580 C GLU A 749 9.448 -17.934 -5.442 1.00 52.32 C ATOM 581 O GLU A 749 8.511 -17.839 -6.238 1.00 32.42 O ATOM 582 CB GLU A 749 9.984 -16.028 -3.895 1.00 10.33 C ATOM 583 CG GLU A 749 9.452 -15.023 -4.913 1.00 53.33 C ATOM 584 CD GLU A 749 9.996 -13.648 -4.733 1.00 43.22 C ATOM 585 OE1 GLU A 749 11.224 -13.508 -4.577 1.00 33.44 O ATOM 586 OE2 GLU A 749 9.196 -12.687 -4.754 1.00 11.50 O ATOM 0 H GLU A 749 10.775 -18.104 -2.679 1.00 23.34 H new ATOM 0 HA GLU A 749 8.273 -17.276 -3.781 1.00 11.23 H new ATOM 0 HB2 GLU A 749 9.818 -15.642 -2.889 1.00 10.33 H new ATOM 0 HB3 GLU A 749 11.062 -16.131 -4.023 1.00 10.33 H new ATOM 0 HG2 GLU A 749 9.694 -15.372 -5.917 1.00 53.33 H new ATOM 0 HG3 GLU A 749 8.365 -14.987 -4.842 1.00 53.33 H new ATOM 593 N ALA A 750 10.593 -18.513 -5.745 1.00 44.14 N ATOM 594 CA ALA A 750 10.873 -19.015 -7.082 1.00 55.31 C ATOM 595 C ALA A 750 10.056 -20.260 -7.390 1.00 74.13 C ATOM 596 O ALA A 750 9.830 -20.586 -8.538 1.00 62.04 O ATOM 597 CB ALA A 750 12.358 -19.295 -7.243 1.00 51.43 C ATOM 0 H ALA A 750 11.353 -18.650 -5.079 1.00 44.14 H new ATOM 0 HA ALA A 750 10.583 -18.245 -7.796 1.00 55.31 H new ATOM 0 HB1 ALA A 750 12.551 -19.670 -8.248 1.00 51.43 H new ATOM 0 HB2 ALA A 750 12.921 -18.375 -7.085 1.00 51.43 H new ATOM 0 HB3 ALA A 750 12.669 -20.041 -6.512 1.00 51.43 H new ATOM 603 N THR A 751 9.601 -20.940 -6.348 1.00 71.15 N ATOM 604 CA THR A 751 8.816 -22.152 -6.524 1.00 35.11 C ATOM 605 C THR A 751 7.403 -21.806 -7.071 1.00 31.53 C ATOM 606 O THR A 751 6.698 -22.665 -7.615 1.00 32.21 O ATOM 607 CB THR A 751 8.708 -22.980 -5.178 1.00 31.13 C ATOM 608 OG1 THR A 751 8.553 -24.368 -5.465 1.00 64.31 O ATOM 609 CG2 THR A 751 7.528 -22.519 -4.334 1.00 42.04 C ATOM 0 H THR A 751 9.761 -20.675 -5.376 1.00 71.15 H new ATOM 0 HA THR A 751 9.331 -22.779 -7.252 1.00 35.11 H new ATOM 0 HB THR A 751 9.628 -22.813 -4.618 1.00 31.13 H new ATOM 0 HG1 THR A 751 7.894 -24.757 -4.853 1.00 64.31 H new ATOM 0 HG21 THR A 751 7.484 -23.108 -3.418 1.00 42.04 H new ATOM 0 HG22 THR A 751 7.650 -21.466 -4.082 1.00 42.04 H new ATOM 0 HG23 THR A 751 6.604 -22.653 -4.897 1.00 42.04 H new ATOM 617 N SER A 752 7.014 -20.542 -6.920 1.00 31.04 N ATOM 618 CA SER A 752 5.755 -20.074 -7.416 1.00 22.12 C ATOM 619 C SER A 752 5.772 -19.975 -8.958 1.00 42.01 C ATOM 620 O SER A 752 4.765 -20.255 -9.626 1.00 5.23 O ATOM 621 CB SER A 752 5.427 -18.724 -6.793 1.00 35.31 C ATOM 622 OG SER A 752 5.544 -18.789 -5.366 1.00 23.21 O ATOM 0 H SER A 752 7.571 -19.829 -6.450 1.00 31.04 H new ATOM 0 HA SER A 752 4.981 -20.789 -7.138 1.00 22.12 H new ATOM 0 HB2 SER A 752 6.101 -17.962 -7.185 1.00 35.31 H new ATOM 0 HB3 SER A 752 4.415 -18.426 -7.068 1.00 35.31 H new ATOM 0 HG SER A 752 5.332 -17.913 -4.980 1.00 23.21 H new ATOM 628 N THR A 753 6.916 -19.595 -9.508 1.00 72.30 N ATOM 629 CA THR A 753 7.075 -19.457 -10.937 1.00 61.44 C ATOM 630 C THR A 753 7.452 -20.795 -11.583 1.00 44.05 C ATOM 631 O THR A 753 6.930 -21.159 -12.647 1.00 31.21 O ATOM 632 CB THR A 753 8.131 -18.392 -11.266 1.00 41.22 C ATOM 633 OG1 THR A 753 9.197 -18.472 -10.308 1.00 22.30 O ATOM 634 CG2 THR A 753 7.520 -17.006 -11.219 1.00 43.31 C ATOM 0 H THR A 753 7.755 -19.375 -8.972 1.00 72.30 H new ATOM 0 HA THR A 753 6.117 -19.137 -11.348 1.00 61.44 H new ATOM 0 HB THR A 753 8.514 -18.574 -12.270 1.00 41.22 H new ATOM 0 HG1 THR A 753 9.858 -19.130 -10.608 1.00 22.30 H new ATOM 0 HG21 THR A 753 8.283 -16.264 -11.455 1.00 43.31 H new ATOM 0 HG22 THR A 753 6.712 -16.940 -11.947 1.00 43.31 H new ATOM 0 HG23 THR A 753 7.125 -16.816 -10.221 1.00 43.31 H new ATOM 642 N PHE A 754 8.340 -21.514 -10.940 1.00 41.43 N ATOM 643 CA PHE A 754 8.727 -22.814 -11.371 1.00 40.22 C ATOM 644 C PHE A 754 8.864 -23.706 -10.175 1.00 4.41 C ATOM 645 O PHE A 754 9.374 -23.292 -9.156 1.00 13.21 O ATOM 646 CB PHE A 754 10.046 -22.769 -12.196 1.00 41.32 C ATOM 647 CG PHE A 754 11.229 -22.153 -11.476 1.00 14.44 C ATOM 648 CD1 PHE A 754 11.472 -20.792 -11.554 1.00 54.21 C ATOM 649 CD2 PHE A 754 12.095 -22.942 -10.732 1.00 2.14 C ATOM 650 CE1 PHE A 754 12.551 -20.231 -10.905 1.00 13.43 C ATOM 651 CE2 PHE A 754 13.174 -22.384 -10.083 1.00 2.52 C ATOM 652 CZ PHE A 754 13.403 -21.029 -10.168 1.00 3.24 C ATOM 0 H PHE A 754 8.814 -21.199 -10.093 1.00 41.43 H new ATOM 0 HA PHE A 754 7.957 -23.215 -12.030 1.00 40.22 H new ATOM 0 HB2 PHE A 754 10.308 -23.785 -12.491 1.00 41.32 H new ATOM 0 HB3 PHE A 754 9.865 -22.208 -13.113 1.00 41.32 H new ATOM 0 HD1 PHE A 754 10.809 -20.163 -12.130 1.00 54.21 H new ATOM 0 HD2 PHE A 754 11.921 -24.006 -10.661 1.00 2.14 H new ATOM 0 HE1 PHE A 754 12.730 -19.168 -10.973 1.00 13.43 H new ATOM 0 HE2 PHE A 754 13.840 -23.009 -9.507 1.00 2.52 H new ATOM 0 HZ PHE A 754 14.248 -20.591 -9.659 1.00 3.24 H new ATOM 662 N THR A 755 8.401 -24.895 -10.292 1.00 43.21 N ATOM 663 CA THR A 755 8.369 -25.812 -9.184 1.00 13.32 C ATOM 664 C THR A 755 9.774 -26.100 -8.650 1.00 22.44 C ATOM 665 O THR A 755 10.602 -26.737 -9.327 1.00 12.44 O ATOM 666 CB THR A 755 7.692 -27.124 -9.573 1.00 43.21 C ATOM 667 OG1 THR A 755 6.475 -26.833 -10.294 1.00 43.12 O ATOM 668 CG2 THR A 755 7.351 -27.931 -8.327 1.00 1.04 C ATOM 0 H THR A 755 8.027 -25.275 -11.162 1.00 43.21 H new ATOM 0 HA THR A 755 7.789 -25.333 -8.395 1.00 13.32 H new ATOM 0 HB THR A 755 8.371 -27.703 -10.198 1.00 43.21 H new ATOM 0 HG1 THR A 755 6.037 -27.672 -10.548 1.00 43.12 H new ATOM 0 HG21 THR A 755 6.869 -28.864 -8.619 1.00 1.04 H new ATOM 0 HG22 THR A 755 8.265 -28.152 -7.775 1.00 1.04 H new ATOM 0 HG23 THR A 755 6.675 -27.355 -7.694 1.00 1.04 H new ATOM 676 N ASN A 756 10.041 -25.617 -7.476 1.00 22.43 N ATOM 677 CA ASN A 756 11.287 -25.864 -6.825 1.00 40.31 C ATOM 678 C ASN A 756 11.047 -26.337 -5.417 1.00 54.05 C ATOM 679 O ASN A 756 10.920 -25.536 -4.487 1.00 22.22 O ATOM 680 CB ASN A 756 12.180 -24.610 -6.836 1.00 2.43 C ATOM 681 CG ASN A 756 13.571 -24.881 -6.276 1.00 72.12 C ATOM 682 OD1 ASN A 756 13.829 -24.686 -5.088 1.00 30.30 O ATOM 683 ND2 ASN A 756 14.454 -25.334 -7.120 1.00 74.14 N ATOM 0 H ASN A 756 9.395 -25.037 -6.940 1.00 22.43 H new ATOM 0 HA ASN A 756 11.812 -26.646 -7.374 1.00 40.31 H new ATOM 0 HB2 ASN A 756 12.269 -24.240 -7.857 1.00 2.43 H new ATOM 0 HB3 ASN A 756 11.703 -23.823 -6.252 1.00 2.43 H new ATOM 0 HD21 ASN A 756 15.402 -25.541 -6.805 1.00 74.14 H new ATOM 0 HD22 ASN A 756 14.198 -25.481 -8.096 1.00 74.14 H new ATOM 690 N ILE A 757 10.907 -27.623 -5.273 1.00 63.55 N ATOM 691 CA ILE A 757 10.717 -28.249 -3.988 1.00 53.13 C ATOM 692 C ILE A 757 11.621 -29.455 -3.872 1.00 62.44 C ATOM 693 O ILE A 757 11.446 -30.304 -2.983 1.00 40.33 O ATOM 694 CB ILE A 757 9.245 -28.698 -3.782 1.00 32.02 C ATOM 695 CG1 ILE A 757 8.761 -29.553 -4.974 1.00 73.22 C ATOM 696 CG2 ILE A 757 8.331 -27.493 -3.558 1.00 60.51 C ATOM 697 CD1 ILE A 757 7.362 -30.113 -4.804 1.00 22.15 C ATOM 0 H ILE A 757 10.921 -28.279 -6.054 1.00 63.55 H new ATOM 0 HA ILE A 757 10.963 -27.515 -3.221 1.00 53.13 H new ATOM 0 HB ILE A 757 9.201 -29.317 -2.886 1.00 32.02 H new ATOM 0 HG12 ILE A 757 8.791 -28.946 -5.879 1.00 73.22 H new ATOM 0 HG13 ILE A 757 9.457 -30.379 -5.121 1.00 73.22 H new ATOM 0 HG21 ILE A 757 7.306 -27.835 -3.416 1.00 60.51 H new ATOM 0 HG22 ILE A 757 8.657 -26.949 -2.672 1.00 60.51 H new ATOM 0 HG23 ILE A 757 8.377 -26.835 -4.426 1.00 60.51 H new ATOM 0 HD11 ILE A 757 7.096 -30.701 -5.683 1.00 22.15 H new ATOM 0 HD12 ILE A 757 7.329 -30.748 -3.919 1.00 22.15 H new ATOM 0 HD13 ILE A 757 6.653 -29.293 -4.688 1.00 22.15 H new ATOM 709 N THR A 758 12.586 -29.524 -4.764 1.00 74.24 N ATOM 710 CA THR A 758 13.518 -30.617 -4.826 1.00 14.41 C ATOM 711 C THR A 758 14.350 -30.723 -3.542 1.00 22.44 C ATOM 712 O THR A 758 14.547 -29.727 -2.825 1.00 33.32 O ATOM 713 CB THR A 758 14.447 -30.446 -6.032 1.00 51.34 C ATOM 714 OG1 THR A 758 14.775 -29.048 -6.184 1.00 42.11 O ATOM 715 CG2 THR A 758 13.781 -30.949 -7.300 1.00 61.24 C ATOM 0 H THR A 758 12.743 -28.809 -5.475 1.00 74.24 H new ATOM 0 HA THR A 758 12.944 -31.537 -4.933 1.00 14.41 H new ATOM 0 HB THR A 758 15.353 -31.028 -5.862 1.00 51.34 H new ATOM 0 HG1 THR A 758 15.371 -28.934 -6.954 1.00 42.11 H new ATOM 0 HG21 THR A 758 14.459 -30.818 -8.144 1.00 61.24 H new ATOM 0 HG22 THR A 758 13.540 -32.006 -7.189 1.00 61.24 H new ATOM 0 HG23 THR A 758 12.866 -30.385 -7.479 1.00 61.24 H new HETATM 723 N PTR A 759 14.822 -31.909 -3.255 1.00 2.10 N HETATM 724 CA PTR A 759 15.605 -32.142 -2.083 1.00 51.10 C HETATM 725 C PTR A 759 17.045 -32.447 -2.450 1.00 41.14 C HETATM 726 O PTR A 759 17.382 -33.580 -2.826 1.00 63.33 O HETATM 727 CB PTR A 759 15.005 -33.281 -1.242 1.00 4.40 C HETATM 728 CG PTR A 759 15.708 -33.509 0.077 1.00 51.30 C HETATM 729 CD1 PTR A 759 15.643 -32.566 1.083 1.00 14.03 C HETATM 730 CD2 PTR A 759 16.429 -34.667 0.313 1.00 3.30 C HETATM 731 CE1 PTR A 759 16.273 -32.760 2.285 1.00 54.33 C HETATM 732 CE2 PTR A 759 17.063 -34.873 1.515 1.00 32.11 C HETATM 733 CZ PTR A 759 16.982 -33.911 2.500 1.00 1.30 C HETATM 734 OH PTR A 759 17.620 -34.108 3.719 1.00 37.57 O HETATM 735 P PTR A 759 19.114 -33.773 3.990 1.00 37.57 P HETATM 736 O1P PTR A 759 19.598 -32.780 2.933 1.00 37.57 O HETATM 737 O2P PTR A 759 19.193 -33.043 5.358 1.00 37.57 O HETATM 738 O3P PTR A 759 19.716 -35.094 3.965 1.00 37.57 O HETATM 0 HE2 PTR A 759 17.626 -35.790 1.689 1.00 32.11 H new HETATM 0 HE1 PTR A 759 16.210 -32.002 3.065 1.00 54.33 H new HETATM 0 HD2 PTR A 759 16.495 -35.427 -0.466 1.00 3.30 H new HETATM 0 HD1 PTR A 759 15.079 -31.648 0.918 1.00 14.03 H new HETATM 0 HB3 PTR A 759 13.955 -33.062 -1.049 1.00 4.40 H new HETATM 0 HB2 PTR A 759 15.037 -34.203 -1.823 1.00 4.40 H new HETATM 0 HA PTR A 759 15.592 -31.233 -1.481 1.00 51.10 H new ATOM 747 N ARG A 760 17.879 -31.445 -2.370 1.00 24.10 N ATOM 748 CA ARG A 760 19.276 -31.591 -2.662 1.00 61.22 C ATOM 749 C ARG A 760 20.102 -30.774 -1.698 1.00 2.13 C ATOM 750 O ARG A 760 20.229 -29.551 -1.849 1.00 11.33 O ATOM 751 CB ARG A 760 19.572 -31.156 -4.107 1.00 62.12 C ATOM 752 CG ARG A 760 21.053 -31.257 -4.531 1.00 22.12 C ATOM 753 CD ARG A 760 21.536 -32.709 -4.604 1.00 52.23 C ATOM 754 NE ARG A 760 21.799 -33.302 -3.274 1.00 40.34 N ATOM 755 CZ ARG A 760 21.376 -34.522 -2.897 1.00 41.23 C ATOM 756 NH1 ARG A 760 20.549 -35.207 -3.674 1.00 73.54 N ATOM 757 NH2 ARG A 760 21.756 -35.027 -1.731 1.00 71.53 N ATOM 0 H ARG A 760 17.605 -30.501 -2.099 1.00 24.10 H new ATOM 0 HA ARG A 760 19.542 -32.642 -2.551 1.00 61.22 H new ATOM 0 HB2 ARG A 760 18.974 -31.767 -4.784 1.00 62.12 H new ATOM 0 HB3 ARG A 760 19.243 -30.125 -4.234 1.00 62.12 H new ATOM 0 HG2 ARG A 760 21.184 -30.783 -5.504 1.00 22.12 H new ATOM 0 HG3 ARG A 760 21.671 -30.706 -3.822 1.00 22.12 H new ATOM 0 HD2 ARG A 760 20.787 -33.309 -5.121 1.00 52.23 H new ATOM 0 HD3 ARG A 760 22.447 -32.753 -5.201 1.00 52.23 H new ATOM 0 HE ARG A 760 22.334 -32.752 -2.602 1.00 40.34 H new ATOM 0 HH11 ARG A 760 20.233 -34.809 -4.558 1.00 73.54 H new ATOM 0 HH12 ARG A 760 20.229 -36.132 -3.388 1.00 73.54 H new ATOM 0 HH21 ARG A 760 22.370 -34.490 -1.118 1.00 71.53 H new ATOM 0 HH22 ARG A 760 21.434 -35.952 -1.447 1.00 71.53 H new ATOM 771 N GLY A 761 20.630 -31.426 -0.708 1.00 22.35 N ATOM 772 CA GLY A 761 21.499 -30.768 0.209 1.00 74.22 C ATOM 773 C GLY A 761 22.907 -30.699 -0.319 1.00 40.30 C ATOM 774 O GLY A 761 23.246 -31.386 -1.309 1.00 71.12 O ATOM 0 H GLY A 761 20.472 -32.415 -0.517 1.00 22.35 H new ATOM 0 HA2 GLY A 761 21.131 -29.760 0.401 1.00 74.22 H new ATOM 0 HA3 GLY A 761 21.492 -31.297 1.162 1.00 74.22 H new ATOM 778 N THR A 762 23.716 -29.895 0.296 1.00 1.34 N ATOM 779 CA THR A 762 25.076 -29.741 -0.115 1.00 53.11 C ATOM 780 C THR A 762 26.017 -30.086 1.043 1.00 20.24 C ATOM 781 O THR A 762 26.402 -29.165 1.798 1.00 63.51 O ATOM 782 CB THR A 762 25.350 -28.292 -0.592 1.00 73.23 C ATOM 783 OG1 THR A 762 24.300 -27.880 -1.488 1.00 32.33 O ATOM 784 CG2 THR A 762 26.687 -28.214 -1.322 1.00 65.12 C ATOM 785 OXT THR A 762 26.343 -31.276 1.207 1.00 37.57 O ATOM 0 H THR A 762 23.451 -29.325 1.100 1.00 1.34 H new ATOM 0 HA THR A 762 25.257 -30.421 -0.947 1.00 53.11 H new ATOM 0 HB THR A 762 25.382 -27.636 0.278 1.00 73.23 H new ATOM 0 HG1 THR A 762 24.469 -26.963 -1.790 1.00 32.33 H new ATOM 0 HG21 THR A 762 26.863 -27.190 -1.650 1.00 65.12 H new ATOM 0 HG22 THR A 762 27.487 -28.522 -0.649 1.00 65.12 H new ATOM 0 HG23 THR A 762 26.667 -28.874 -2.189 1.00 65.12 H new TER 793 THR A 762