USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 390 hydrogens (8 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 Single : A 716 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0117) USER MOD Single : A 720 THR OG1 : rot -40:sc= 0.00307 USER MOD Single : A 722 HIS : no HD1:sc= -0.0875 X(o=-0.087,f=0) USER MOD Single : A 725 LYS NZ :NH3+ -161:sc= 1.24 (180deg=1.16) USER MOD Single : A 729 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.22) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -29:sc= 0.159 USER MOD Single : A 743 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.62) USER MOD Single : A 744 ASN : amide:sc= -1.17! C(o=-1.2!,f=-1.5!) USER MOD Single : A 748 LYS NZ :NH3+ -134:sc= -0.0676 (180deg=-1.74) USER MOD Single : A 751 THR OG1 : rot -100:sc= -0.403 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= 0.938 K(o=0.94,f=-5.4!) 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 17:sc= 0.804 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 716 4.014 -2.195 2.335 1.00 13.00 N ATOM 2 CA LYS A 716 4.935 -2.009 1.205 1.00 3.51 C ATOM 3 C LYS A 716 5.315 -3.330 0.532 1.00 24.33 C ATOM 4 O LYS A 716 5.809 -3.336 -0.587 1.00 3.01 O ATOM 5 CB LYS A 716 6.220 -1.197 1.627 1.00 34.51 C ATOM 6 CG LYS A 716 6.953 -1.697 2.915 1.00 0.42 C ATOM 7 CD LYS A 716 7.580 -3.095 2.748 1.00 1.04 C ATOM 8 CE LYS A 716 8.679 -3.120 1.677 1.00 43.20 C ATOM 9 NZ LYS A 716 9.874 -2.350 2.079 1.00 63.23 N ATOM 0 HA LYS A 716 4.394 -1.420 0.465 1.00 3.51 H new ATOM 0 HB2 LYS A 716 6.928 -1.218 0.798 1.00 34.51 H new ATOM 0 HB3 LYS A 716 5.935 -0.155 1.776 1.00 34.51 H new ATOM 0 HG2 LYS A 716 7.734 -0.984 3.182 1.00 0.42 H new ATOM 0 HG3 LYS A 716 6.245 -1.719 3.744 1.00 0.42 H new ATOM 0 HD2 LYS A 716 7.998 -3.419 3.701 1.00 1.04 H new ATOM 0 HD3 LYS A 716 6.801 -3.810 2.482 1.00 1.04 H new ATOM 0 HE2 LYS A 716 8.965 -4.153 1.478 1.00 43.20 H new ATOM 0 HE3 LYS A 716 8.284 -2.714 0.746 1.00 43.20 H new ATOM 0 HZ1 LYS A 716 10.613 -2.452 1.354 1.00 63.23 H new ATOM 0 HZ2 LYS A 716 9.623 -1.346 2.178 1.00 63.23 H new ATOM 0 HZ3 LYS A 716 10.229 -2.709 2.988 1.00 63.23 H new ATOM 23 N LEU A 717 5.079 -4.443 1.210 1.00 63.44 N ATOM 24 CA LEU A 717 5.529 -5.737 0.718 1.00 51.34 C ATOM 25 C LEU A 717 4.809 -6.151 -0.563 1.00 64.23 C ATOM 26 O LEU A 717 5.436 -6.621 -1.501 1.00 44.12 O ATOM 27 CB LEU A 717 5.378 -6.814 1.772 1.00 61.35 C ATOM 28 CG LEU A 717 5.846 -8.206 1.350 1.00 14.51 C ATOM 29 CD1 LEU A 717 7.366 -8.269 1.258 1.00 71.43 C ATOM 30 CD2 LEU A 717 5.307 -9.270 2.281 1.00 3.32 C ATOM 0 H LEU A 717 4.580 -4.477 2.099 1.00 63.44 H new ATOM 0 HA LEU A 717 6.588 -5.625 0.484 1.00 51.34 H new ATOM 0 HB2 LEU A 717 5.936 -6.513 2.659 1.00 61.35 H new ATOM 0 HB3 LEU A 717 4.329 -6.873 2.061 1.00 61.35 H new ATOM 0 HG LEU A 717 5.446 -8.405 0.356 1.00 14.51 H new ATOM 0 HD11 LEU A 717 7.671 -9.271 0.956 1.00 71.43 H new ATOM 0 HD12 LEU A 717 7.716 -7.546 0.522 1.00 71.43 H new ATOM 0 HD13 LEU A 717 7.799 -8.036 2.231 1.00 71.43 H new ATOM 0 HD21 LEU A 717 5.657 -10.250 1.955 1.00 3.32 H new ATOM 0 HD22 LEU A 717 5.658 -9.078 3.295 1.00 3.32 H new ATOM 0 HD23 LEU A 717 4.217 -9.250 2.264 1.00 3.32 H new ATOM 42 N LEU A 718 3.498 -5.953 -0.607 1.00 52.53 N ATOM 43 CA LEU A 718 2.704 -6.371 -1.778 1.00 40.51 C ATOM 44 C LEU A 718 3.088 -5.587 -3.039 1.00 52.44 C ATOM 45 O LEU A 718 2.740 -5.976 -4.162 1.00 52.24 O ATOM 46 CB LEU A 718 1.171 -6.298 -1.488 1.00 11.01 C ATOM 47 CG LEU A 718 0.587 -4.931 -1.098 1.00 22.24 C ATOM 48 CD1 LEU A 718 0.158 -4.156 -2.327 1.00 50.03 C ATOM 49 CD2 LEU A 718 -0.576 -5.097 -0.140 1.00 15.30 C ATOM 0 H LEU A 718 2.959 -5.513 0.138 1.00 52.53 H new ATOM 0 HA LEU A 718 2.944 -7.416 -1.973 1.00 40.51 H new ATOM 0 HB2 LEU A 718 0.644 -6.648 -2.375 1.00 11.01 H new ATOM 0 HB3 LEU A 718 0.947 -7.001 -0.686 1.00 11.01 H new ATOM 0 HG LEU A 718 1.368 -4.363 -0.593 1.00 22.24 H new ATOM 0 HD11 LEU A 718 -0.252 -3.192 -2.025 1.00 50.03 H new ATOM 0 HD12 LEU A 718 1.019 -3.997 -2.976 1.00 50.03 H new ATOM 0 HD13 LEU A 718 -0.603 -4.721 -2.866 1.00 50.03 H new ATOM 0 HD21 LEU A 718 -0.974 -4.117 0.123 1.00 15.30 H new ATOM 0 HD22 LEU A 718 -1.357 -5.690 -0.615 1.00 15.30 H new ATOM 0 HD23 LEU A 718 -0.234 -5.604 0.763 1.00 15.30 H new ATOM 61 N ILE A 719 3.800 -4.504 -2.850 1.00 12.01 N ATOM 62 CA ILE A 719 4.284 -3.711 -3.946 1.00 5.44 C ATOM 63 C ILE A 719 5.788 -3.965 -4.184 1.00 4.31 C ATOM 64 O ILE A 719 6.274 -3.883 -5.323 1.00 32.03 O ATOM 65 CB ILE A 719 4.038 -2.194 -3.689 1.00 61.22 C ATOM 66 CG1 ILE A 719 2.536 -1.915 -3.580 1.00 24.11 C ATOM 67 CG2 ILE A 719 4.665 -1.336 -4.788 1.00 35.35 C ATOM 68 CD1 ILE A 719 1.758 -2.222 -4.851 1.00 22.44 C ATOM 0 H ILE A 719 4.059 -4.149 -1.930 1.00 12.01 H new ATOM 0 HA ILE A 719 3.731 -4.007 -4.838 1.00 5.44 H new ATOM 0 HB ILE A 719 4.517 -1.927 -2.747 1.00 61.22 H new ATOM 0 HG12 ILE A 719 2.125 -2.507 -2.762 1.00 24.11 H new ATOM 0 HG13 ILE A 719 2.389 -0.867 -3.320 1.00 24.11 H new ATOM 0 HG21 ILE A 719 4.476 -0.283 -4.580 1.00 35.35 H new ATOM 0 HG22 ILE A 719 5.740 -1.512 -4.818 1.00 35.35 H new ATOM 0 HG23 ILE A 719 4.227 -1.600 -5.750 1.00 35.35 H new ATOM 0 HD11 ILE A 719 0.703 -1.999 -4.694 1.00 22.44 H new ATOM 0 HD12 ILE A 719 2.141 -1.611 -5.668 1.00 22.44 H new ATOM 0 HD13 ILE A 719 1.872 -3.277 -5.102 1.00 22.44 H new ATOM 80 N THR A 720 6.508 -4.319 -3.121 1.00 21.45 N ATOM 81 CA THR A 720 7.947 -4.471 -3.213 1.00 2.34 C ATOM 82 C THR A 720 8.318 -5.694 -4.036 1.00 73.22 C ATOM 83 O THR A 720 9.439 -5.825 -4.476 1.00 62.53 O ATOM 84 CB THR A 720 8.625 -4.545 -1.810 1.00 63.24 C ATOM 85 OG1 THR A 720 9.991 -4.145 -1.913 1.00 25.22 O ATOM 86 CG2 THR A 720 8.572 -5.962 -1.256 1.00 15.45 C ATOM 0 H THR A 720 6.117 -4.503 -2.197 1.00 21.45 H new ATOM 0 HA THR A 720 8.321 -3.579 -3.716 1.00 2.34 H new ATOM 0 HB THR A 720 8.085 -3.878 -1.138 1.00 63.24 H new ATOM 0 HG1 THR A 720 10.379 -4.514 -2.734 1.00 25.22 H new ATOM 0 HG21 THR A 720 9.051 -5.988 -0.277 1.00 15.45 H new ATOM 0 HG22 THR A 720 7.533 -6.277 -1.160 1.00 15.45 H new ATOM 0 HG23 THR A 720 9.094 -6.637 -1.934 1.00 15.45 H new ATOM 94 N ILE A 721 7.354 -6.574 -4.244 1.00 44.10 N ATOM 95 CA ILE A 721 7.569 -7.781 -4.998 1.00 23.42 C ATOM 96 C ILE A 721 7.995 -7.448 -6.408 1.00 23.34 C ATOM 97 O ILE A 721 8.845 -8.111 -6.985 1.00 40.05 O ATOM 98 CB ILE A 721 6.288 -8.634 -5.060 1.00 32.14 C ATOM 99 CG1 ILE A 721 5.759 -8.920 -3.650 1.00 62.30 C ATOM 100 CG2 ILE A 721 6.558 -9.937 -5.807 1.00 43.13 C ATOM 101 CD1 ILE A 721 4.436 -9.663 -3.625 1.00 23.22 C ATOM 0 H ILE A 721 6.403 -6.465 -3.892 1.00 44.10 H new ATOM 0 HA ILE A 721 8.352 -8.347 -4.494 1.00 23.42 H new ATOM 0 HB ILE A 721 5.525 -8.074 -5.601 1.00 32.14 H new ATOM 0 HG12 ILE A 721 6.502 -9.503 -3.106 1.00 62.30 H new ATOM 0 HG13 ILE A 721 5.644 -7.976 -3.118 1.00 62.30 H new ATOM 0 HG21 ILE A 721 5.645 -10.531 -5.844 1.00 43.13 H new ATOM 0 HG22 ILE A 721 6.887 -9.713 -6.822 1.00 43.13 H new ATOM 0 HG23 ILE A 721 7.336 -10.499 -5.289 1.00 43.13 H new ATOM 0 HD11 ILE A 721 4.130 -9.827 -2.592 1.00 23.22 H new ATOM 0 HD12 ILE A 721 3.677 -9.073 -4.139 1.00 23.22 H new ATOM 0 HD13 ILE A 721 4.549 -10.624 -4.127 1.00 23.22 H new ATOM 113 N HIS A 722 7.423 -6.418 -6.952 1.00 15.11 N ATOM 114 CA HIS A 722 7.712 -6.051 -8.300 1.00 73.21 C ATOM 115 C HIS A 722 9.065 -5.370 -8.411 1.00 25.31 C ATOM 116 O HIS A 722 9.684 -5.385 -9.460 1.00 64.10 O ATOM 117 CB HIS A 722 6.632 -5.171 -8.867 1.00 41.04 C ATOM 118 CG HIS A 722 6.589 -5.219 -10.338 1.00 61.50 C ATOM 119 ND1 HIS A 722 6.790 -4.128 -11.145 1.00 34.32 N ATOM 120 CD2 HIS A 722 6.377 -6.250 -11.151 1.00 44.31 C ATOM 121 CE1 HIS A 722 6.702 -4.493 -12.402 1.00 64.03 C ATOM 122 NE2 HIS A 722 6.451 -5.780 -12.437 1.00 60.51 N ATOM 0 H HIS A 722 6.750 -5.815 -6.479 1.00 15.11 H new ATOM 0 HA HIS A 722 7.747 -6.970 -8.886 1.00 73.21 H new ATOM 0 HB2 HIS A 722 5.666 -5.481 -8.467 1.00 41.04 H new ATOM 0 HB3 HIS A 722 6.796 -4.143 -8.544 1.00 41.04 H new ATOM 0 HD2 HIS A 722 6.182 -7.270 -10.853 1.00 44.31 H new ATOM 0 HE1 HIS A 722 6.816 -3.846 -13.259 1.00 64.03 H new ATOM 0 HE2 HIS A 722 6.331 -6.339 -13.282 1.00 60.51 H new ATOM 131 N ASP A 723 9.513 -4.797 -7.330 1.00 32.13 N ATOM 132 CA ASP A 723 10.803 -4.092 -7.304 1.00 32.22 C ATOM 133 C ASP A 723 11.883 -4.935 -6.667 1.00 74.31 C ATOM 134 O ASP A 723 13.039 -4.540 -6.629 1.00 42.01 O ATOM 135 CB ASP A 723 10.688 -2.754 -6.552 1.00 60.32 C ATOM 136 CG ASP A 723 10.001 -1.679 -7.350 1.00 12.35 C ATOM 137 OD1 ASP A 723 8.750 -1.704 -7.447 1.00 13.11 O ATOM 138 OD2 ASP A 723 10.702 -0.788 -7.882 1.00 64.30 O ATOM 0 H ASP A 723 9.015 -4.794 -6.440 1.00 32.13 H new ATOM 0 HA ASP A 723 11.079 -3.897 -8.340 1.00 32.22 H new ATOM 0 HB2 ASP A 723 10.140 -2.913 -5.623 1.00 60.32 H new ATOM 0 HB3 ASP A 723 11.686 -2.412 -6.279 1.00 60.32 H new ATOM 143 N ARG A 724 11.507 -6.107 -6.164 1.00 33.12 N ATOM 144 CA ARG A 724 12.446 -6.960 -5.433 1.00 54.32 C ATOM 145 C ARG A 724 13.536 -7.535 -6.328 1.00 21.10 C ATOM 146 O ARG A 724 14.539 -8.057 -5.839 1.00 20.33 O ATOM 147 CB ARG A 724 11.724 -8.071 -4.627 1.00 14.12 C ATOM 148 CG ARG A 724 11.169 -9.207 -5.440 1.00 64.24 C ATOM 149 CD ARG A 724 10.474 -10.202 -4.538 1.00 64.11 C ATOM 150 NE ARG A 724 9.866 -11.301 -5.277 1.00 64.02 N ATOM 151 CZ ARG A 724 9.142 -12.274 -4.706 1.00 53.44 C ATOM 152 NH1 ARG A 724 8.897 -12.247 -3.405 1.00 3.24 N ATOM 153 NH2 ARG A 724 8.659 -13.254 -5.434 1.00 2.04 N ATOM 0 H ARG A 724 10.565 -6.489 -6.247 1.00 33.12 H new ATOM 0 HA ARG A 724 12.943 -6.310 -4.712 1.00 54.32 H new ATOM 0 HB2 ARG A 724 12.424 -8.478 -3.897 1.00 14.12 H new ATOM 0 HB3 ARG A 724 10.907 -7.616 -4.067 1.00 14.12 H new ATOM 0 HG2 ARG A 724 10.467 -8.825 -6.181 1.00 64.24 H new ATOM 0 HG3 ARG A 724 11.973 -9.700 -5.987 1.00 64.24 H new ATOM 0 HD2 ARG A 724 11.193 -10.603 -3.824 1.00 64.11 H new ATOM 0 HD3 ARG A 724 9.705 -9.688 -3.961 1.00 64.11 H new ATOM 0 HE ARG A 724 9.999 -11.332 -6.288 1.00 64.02 H new ATOM 0 HH11 ARG A 724 9.260 -11.484 -2.833 1.00 3.24 H new ATOM 0 HH12 ARG A 724 8.346 -12.989 -2.974 1.00 3.24 H new ATOM 0 HH21 ARG A 724 8.834 -13.277 -6.439 1.00 2.04 H new ATOM 0 HH22 ARG A 724 8.109 -13.992 -4.995 1.00 2.04 H new ATOM 167 N LYS A 725 13.349 -7.438 -7.613 1.00 24.41 N ATOM 168 CA LYS A 725 14.363 -7.858 -8.546 1.00 41.40 C ATOM 169 C LYS A 725 15.462 -6.807 -8.586 1.00 42.45 C ATOM 170 O LYS A 725 16.634 -7.114 -8.477 1.00 74.14 O ATOM 171 CB LYS A 725 13.769 -8.018 -9.958 1.00 50.05 C ATOM 172 CG LYS A 725 12.505 -8.891 -10.061 1.00 32.44 C ATOM 173 CD LYS A 725 12.809 -10.393 -9.965 1.00 2.35 C ATOM 174 CE LYS A 725 13.048 -10.837 -8.541 1.00 4.11 C ATOM 175 NZ LYS A 725 13.152 -12.298 -8.440 1.00 44.11 N ATOM 0 H LYS A 725 12.500 -7.070 -8.043 1.00 24.41 H new ATOM 0 HA LYS A 725 14.764 -8.819 -8.223 1.00 41.40 H new ATOM 0 HB2 LYS A 725 13.535 -7.027 -10.347 1.00 50.05 H new ATOM 0 HB3 LYS A 725 14.535 -8.443 -10.607 1.00 50.05 H new ATOM 0 HG2 LYS A 725 11.812 -8.614 -9.267 1.00 32.44 H new ATOM 0 HG3 LYS A 725 12.004 -8.686 -11.007 1.00 32.44 H new ATOM 0 HD2 LYS A 725 11.977 -10.958 -10.385 1.00 2.35 H new ATOM 0 HD3 LYS A 725 13.687 -10.623 -10.568 1.00 2.35 H new ATOM 0 HE2 LYS A 725 13.964 -10.380 -8.166 1.00 4.11 H new ATOM 0 HE3 LYS A 725 12.233 -10.485 -7.908 1.00 4.11 H new ATOM 0 HZ1 LYS A 725 12.993 -12.590 -7.455 1.00 44.11 H new ATOM 0 HZ2 LYS A 725 12.437 -12.740 -9.052 1.00 44.11 H new ATOM 0 HZ3 LYS A 725 14.100 -12.600 -8.742 1.00 44.11 H new ATOM 189 N GLU A 726 15.049 -5.573 -8.756 1.00 24.34 N ATOM 190 CA GLU A 726 15.950 -4.449 -8.839 1.00 34.14 C ATOM 191 C GLU A 726 16.481 -4.033 -7.453 1.00 21.52 C ATOM 192 O GLU A 726 17.675 -4.137 -7.175 1.00 30.00 O ATOM 193 CB GLU A 726 15.238 -3.261 -9.516 1.00 10.14 C ATOM 194 CG GLU A 726 16.075 -2.004 -9.624 1.00 40.43 C ATOM 195 CD GLU A 726 15.335 -0.873 -10.297 1.00 23.11 C ATOM 196 OE1 GLU A 726 14.444 -0.275 -9.660 1.00 23.22 O ATOM 197 OE2 GLU A 726 15.639 -0.569 -11.463 1.00 73.41 O ATOM 0 H GLU A 726 14.065 -5.319 -8.842 1.00 24.34 H new ATOM 0 HA GLU A 726 16.809 -4.752 -9.438 1.00 34.14 H new ATOM 0 HB2 GLU A 726 14.928 -3.562 -10.516 1.00 10.14 H new ATOM 0 HB3 GLU A 726 14.331 -3.031 -8.957 1.00 10.14 H new ATOM 0 HG2 GLU A 726 16.383 -1.690 -8.627 1.00 40.43 H new ATOM 0 HG3 GLU A 726 16.984 -2.224 -10.184 1.00 40.43 H new ATOM 204 N PHE A 727 15.579 -3.600 -6.592 1.00 61.13 N ATOM 205 CA PHE A 727 15.946 -2.992 -5.330 1.00 73.22 C ATOM 206 C PHE A 727 16.317 -4.007 -4.281 1.00 24.31 C ATOM 207 O PHE A 727 17.407 -3.947 -3.715 1.00 20.23 O ATOM 208 CB PHE A 727 14.837 -2.084 -4.817 1.00 12.55 C ATOM 209 CG PHE A 727 15.159 -1.455 -3.494 1.00 42.01 C ATOM 210 CD1 PHE A 727 16.338 -0.750 -3.317 1.00 3.30 C ATOM 211 CD2 PHE A 727 14.299 -1.584 -2.427 1.00 23.14 C ATOM 212 CE1 PHE A 727 16.645 -0.184 -2.104 1.00 4.11 C ATOM 213 CE2 PHE A 727 14.600 -1.022 -1.210 1.00 3.44 C ATOM 214 CZ PHE A 727 15.778 -0.319 -1.048 1.00 24.15 C ATOM 0 H PHE A 727 14.573 -3.660 -6.749 1.00 61.13 H new ATOM 0 HA PHE A 727 16.834 -2.391 -5.526 1.00 73.22 H new ATOM 0 HB2 PHE A 727 14.649 -1.299 -5.550 1.00 12.55 H new ATOM 0 HB3 PHE A 727 13.917 -2.661 -4.724 1.00 12.55 H new ATOM 0 HD1 PHE A 727 17.025 -0.644 -4.144 1.00 3.30 H new ATOM 0 HD2 PHE A 727 13.377 -2.133 -2.548 1.00 23.14 H new ATOM 0 HE1 PHE A 727 17.566 0.366 -1.981 1.00 4.11 H new ATOM 0 HE2 PHE A 727 13.916 -1.130 -0.381 1.00 3.44 H new ATOM 0 HZ PHE A 727 16.017 0.124 -0.092 1.00 24.15 H new ATOM 224 N ALA A 728 15.410 -4.927 -4.004 1.00 44.23 N ATOM 225 CA ALA A 728 15.636 -5.924 -2.966 1.00 21.44 C ATOM 226 C ALA A 728 16.913 -6.683 -3.210 1.00 53.45 C ATOM 227 O ALA A 728 17.722 -6.824 -2.327 1.00 12.44 O ATOM 228 CB ALA A 728 14.484 -6.862 -2.882 1.00 62.42 C ATOM 0 H ALA A 728 14.512 -5.007 -4.480 1.00 44.23 H new ATOM 0 HA ALA A 728 15.730 -5.400 -2.015 1.00 21.44 H new ATOM 0 HB1 ALA A 728 14.671 -7.599 -2.101 1.00 62.42 H new ATOM 0 HB2 ALA A 728 13.578 -6.305 -2.645 1.00 62.42 H new ATOM 0 HB3 ALA A 728 14.358 -7.370 -3.838 1.00 62.42 H new ATOM 234 N LYS A 729 17.097 -7.149 -4.431 1.00 11.51 N ATOM 235 CA LYS A 729 18.308 -7.863 -4.797 1.00 1.45 C ATOM 236 C LYS A 729 19.552 -6.998 -4.656 1.00 62.24 C ATOM 237 O LYS A 729 20.647 -7.513 -4.431 1.00 61.54 O ATOM 238 CB LYS A 729 18.206 -8.435 -6.200 1.00 32.31 C ATOM 239 CG LYS A 729 17.555 -9.825 -6.288 1.00 64.33 C ATOM 240 CD LYS A 729 18.417 -10.885 -5.600 1.00 43.33 C ATOM 241 CE LYS A 729 17.989 -11.118 -4.159 1.00 52.44 C ATOM 242 NZ LYS A 729 19.032 -11.811 -3.380 1.00 41.14 N ATOM 0 H LYS A 729 16.422 -7.046 -5.189 1.00 11.51 H new ATOM 0 HA LYS A 729 18.409 -8.691 -4.095 1.00 1.45 H new ATOM 0 HB2 LYS A 729 17.634 -7.743 -6.818 1.00 32.31 H new ATOM 0 HB3 LYS A 729 19.207 -8.491 -6.627 1.00 32.31 H new ATOM 0 HG2 LYS A 729 16.569 -9.798 -5.824 1.00 64.33 H new ATOM 0 HG3 LYS A 729 17.408 -10.095 -7.334 1.00 64.33 H new ATOM 0 HD2 LYS A 729 18.351 -11.821 -6.154 1.00 43.33 H new ATOM 0 HD3 LYS A 729 19.461 -10.574 -5.623 1.00 43.33 H new ATOM 0 HE2 LYS A 729 17.761 -10.161 -3.689 1.00 52.44 H new ATOM 0 HE3 LYS A 729 17.072 -11.708 -4.143 1.00 52.44 H new ATOM 0 HZ1 LYS A 729 18.708 -11.935 -2.400 1.00 41.14 H new ATOM 0 HZ2 LYS A 729 19.220 -12.742 -3.803 1.00 41.14 H new ATOM 0 HZ3 LYS A 729 19.904 -11.245 -3.387 1.00 41.14 H new ATOM 256 N PHE A 730 19.386 -5.703 -4.770 1.00 43.21 N ATOM 257 CA PHE A 730 20.497 -4.794 -4.653 1.00 2.34 C ATOM 258 C PHE A 730 20.890 -4.654 -3.218 1.00 62.25 C ATOM 259 O PHE A 730 22.057 -4.830 -2.855 1.00 42.53 O ATOM 260 CB PHE A 730 20.127 -3.433 -5.201 1.00 71.14 C ATOM 261 CG PHE A 730 21.306 -2.610 -5.657 1.00 32.12 C ATOM 262 CD1 PHE A 730 22.002 -1.817 -4.761 1.00 31.20 C ATOM 263 CD2 PHE A 730 21.713 -2.634 -6.979 1.00 1.33 C ATOM 264 CE1 PHE A 730 23.080 -1.065 -5.176 1.00 54.54 C ATOM 265 CE2 PHE A 730 22.791 -1.885 -7.400 1.00 73.11 C ATOM 266 CZ PHE A 730 23.476 -1.100 -6.497 1.00 0.25 C ATOM 0 H PHE A 730 18.487 -5.254 -4.945 1.00 43.21 H new ATOM 0 HA PHE A 730 21.332 -5.196 -5.226 1.00 2.34 H new ATOM 0 HB2 PHE A 730 19.444 -3.565 -6.040 1.00 71.14 H new ATOM 0 HB3 PHE A 730 19.586 -2.879 -4.433 1.00 71.14 H new ATOM 0 HD1 PHE A 730 21.697 -1.787 -3.725 1.00 31.20 H new ATOM 0 HD2 PHE A 730 21.179 -3.247 -7.690 1.00 1.33 H new ATOM 0 HE1 PHE A 730 23.614 -0.449 -4.468 1.00 54.54 H new ATOM 0 HE2 PHE A 730 23.098 -1.913 -8.435 1.00 73.11 H new ATOM 0 HZ PHE A 730 24.322 -0.513 -6.824 1.00 0.25 H new ATOM 276 N GLU A 731 19.924 -4.351 -2.399 1.00 52.11 N ATOM 277 CA GLU A 731 20.166 -4.110 -1.022 1.00 51.43 C ATOM 278 C GLU A 731 20.559 -5.392 -0.309 1.00 24.52 C ATOM 279 O GLU A 731 21.332 -5.368 0.645 1.00 54.22 O ATOM 280 CB GLU A 731 18.951 -3.458 -0.362 1.00 12.42 C ATOM 281 CG GLU A 731 17.747 -4.384 -0.166 1.00 61.24 C ATOM 282 CD GLU A 731 16.646 -3.745 0.655 1.00 61.44 C ATOM 283 OE1 GLU A 731 16.961 -3.096 1.679 1.00 34.34 O ATOM 284 OE2 GLU A 731 15.460 -3.911 0.308 1.00 51.51 O ATOM 0 H GLU A 731 18.946 -4.266 -2.677 1.00 52.11 H new ATOM 0 HA GLU A 731 21.002 -3.415 -0.940 1.00 51.43 H new ATOM 0 HB2 GLU A 731 19.251 -3.066 0.610 1.00 12.42 H new ATOM 0 HB3 GLU A 731 18.641 -2.606 -0.967 1.00 12.42 H new ATOM 0 HG2 GLU A 731 17.350 -4.668 -1.140 1.00 61.24 H new ATOM 0 HG3 GLU A 731 18.075 -5.301 0.324 1.00 61.24 H new ATOM 291 N GLU A 732 20.040 -6.519 -0.798 1.00 21.44 N ATOM 292 CA GLU A 732 20.339 -7.813 -0.234 1.00 3.50 C ATOM 293 C GLU A 732 21.803 -8.164 -0.325 1.00 23.32 C ATOM 294 O GLU A 732 22.291 -8.894 0.483 1.00 54.21 O ATOM 295 CB GLU A 732 19.478 -8.906 -0.840 1.00 2.30 C ATOM 296 CG GLU A 732 18.103 -9.029 -0.179 1.00 73.54 C ATOM 297 CD GLU A 732 17.298 -10.198 -0.693 1.00 22.33 C ATOM 298 OE1 GLU A 732 17.894 -11.261 -0.974 1.00 70.24 O ATOM 299 OE2 GLU A 732 16.057 -10.074 -0.795 1.00 42.24 O ATOM 0 H GLU A 732 19.403 -6.549 -1.594 1.00 21.44 H new ATOM 0 HA GLU A 732 20.095 -7.743 0.826 1.00 3.50 H new ATOM 0 HB2 GLU A 732 19.346 -8.707 -1.904 1.00 2.30 H new ATOM 0 HB3 GLU A 732 20.000 -9.859 -0.756 1.00 2.30 H new ATOM 0 HG2 GLU A 732 18.233 -9.131 0.898 1.00 73.54 H new ATOM 0 HG3 GLU A 732 17.543 -8.109 -0.346 1.00 73.54 H new ATOM 306 N GLU A 733 22.499 -7.634 -1.320 1.00 44.32 N ATOM 307 CA GLU A 733 23.937 -7.891 -1.442 1.00 75.31 C ATOM 308 C GLU A 733 24.653 -7.496 -0.175 1.00 32.12 C ATOM 309 O GLU A 733 25.385 -8.285 0.407 1.00 20.14 O ATOM 310 CB GLU A 733 24.529 -7.142 -2.620 1.00 35.12 C ATOM 311 CG GLU A 733 23.989 -7.574 -3.940 1.00 13.43 C ATOM 312 CD GLU A 733 24.653 -6.873 -5.096 1.00 23.24 C ATOM 313 OE1 GLU A 733 24.285 -5.713 -5.392 1.00 55.00 O ATOM 314 OE2 GLU A 733 25.546 -7.479 -5.729 1.00 41.31 O ATOM 0 H GLU A 733 22.106 -7.034 -2.045 1.00 44.32 H new ATOM 0 HA GLU A 733 24.070 -8.960 -1.610 1.00 75.31 H new ATOM 0 HB2 GLU A 733 24.341 -6.076 -2.492 1.00 35.12 H new ATOM 0 HB3 GLU A 733 25.611 -7.277 -2.618 1.00 35.12 H new ATOM 0 HG2 GLU A 733 24.122 -8.650 -4.048 1.00 13.43 H new ATOM 0 HG3 GLU A 733 22.917 -7.381 -3.970 1.00 13.43 H new ATOM 321 N ARG A 734 24.418 -6.286 0.259 1.00 45.10 N ATOM 322 CA ARG A 734 25.031 -5.779 1.454 1.00 13.13 C ATOM 323 C ARG A 734 24.310 -6.276 2.698 1.00 63.12 C ATOM 324 O ARG A 734 24.937 -6.639 3.672 1.00 53.31 O ATOM 325 CB ARG A 734 25.088 -4.250 1.427 1.00 10.11 C ATOM 326 CG ARG A 734 25.840 -3.692 0.225 1.00 64.22 C ATOM 327 CD ARG A 734 27.247 -4.271 0.142 1.00 32.52 C ATOM 328 NE ARG A 734 27.923 -3.916 -1.110 1.00 20.12 N ATOM 329 CZ ARG A 734 28.957 -4.606 -1.640 1.00 11.11 C ATOM 330 NH1 ARG A 734 29.461 -5.667 -0.997 1.00 54.24 N ATOM 331 NH2 ARG A 734 29.493 -4.219 -2.798 1.00 52.33 N ATOM 0 H ARG A 734 23.796 -5.626 -0.207 1.00 45.10 H new ATOM 0 HA ARG A 734 26.053 -6.157 1.492 1.00 13.13 H new ATOM 0 HB2 ARG A 734 24.072 -3.856 1.425 1.00 10.11 H new ATOM 0 HB3 ARG A 734 25.565 -3.896 2.341 1.00 10.11 H new ATOM 0 HG2 ARG A 734 25.294 -3.923 -0.689 1.00 64.22 H new ATOM 0 HG3 ARG A 734 25.894 -2.606 0.298 1.00 64.22 H new ATOM 0 HD2 ARG A 734 27.836 -3.910 0.985 1.00 32.52 H new ATOM 0 HD3 ARG A 734 27.196 -5.356 0.230 1.00 32.52 H new ATOM 0 HE ARG A 734 27.591 -3.094 -1.614 1.00 20.12 H new ATOM 0 HH11 ARG A 734 29.064 -5.957 -0.103 1.00 54.24 H new ATOM 0 HH12 ARG A 734 30.241 -6.185 -1.401 1.00 54.24 H new ATOM 0 HH21 ARG A 734 29.123 -3.402 -3.284 1.00 52.33 H new ATOM 0 HH22 ARG A 734 30.273 -4.740 -3.198 1.00 52.33 H new ATOM 345 N ALA A 735 22.986 -6.308 2.642 1.00 4.11 N ATOM 346 CA ALA A 735 22.176 -6.736 3.785 1.00 44.23 C ATOM 347 C ALA A 735 22.423 -8.213 4.147 1.00 32.01 C ATOM 348 O ALA A 735 22.578 -8.552 5.307 1.00 72.53 O ATOM 349 CB ALA A 735 20.702 -6.489 3.518 1.00 15.31 C ATOM 0 H ALA A 735 22.445 -6.043 1.819 1.00 4.11 H new ATOM 0 HA ALA A 735 22.482 -6.137 4.643 1.00 44.23 H new ATOM 0 HB1 ALA A 735 20.117 -6.813 4.379 1.00 15.31 H new ATOM 0 HB2 ALA A 735 20.536 -5.425 3.347 1.00 15.31 H new ATOM 0 HB3 ALA A 735 20.393 -7.051 2.637 1.00 15.31 H new ATOM 355 N ARG A 736 22.474 -9.066 3.146 1.00 13.32 N ATOM 356 CA ARG A 736 22.678 -10.507 3.365 1.00 4.11 C ATOM 357 C ARG A 736 24.146 -10.803 3.688 1.00 1.21 C ATOM 358 O ARG A 736 24.483 -11.862 4.210 1.00 35.32 O ATOM 359 CB ARG A 736 22.225 -11.308 2.124 1.00 15.31 C ATOM 360 CG ARG A 736 22.383 -12.797 2.252 1.00 31.02 C ATOM 361 CD ARG A 736 22.014 -13.508 0.975 1.00 70.04 C ATOM 362 NE ARG A 736 22.254 -14.945 1.077 1.00 34.21 N ATOM 363 CZ ARG A 736 22.520 -15.751 0.039 1.00 14.52 C ATOM 364 NH1 ARG A 736 22.529 -15.265 -1.213 1.00 41.20 N ATOM 365 NH2 ARG A 736 22.765 -17.031 0.246 1.00 55.32 N ATOM 0 H ARG A 736 22.378 -8.799 2.166 1.00 13.32 H new ATOM 0 HA ARG A 736 22.073 -10.815 4.218 1.00 4.11 H new ATOM 0 HB2 ARG A 736 21.178 -11.082 1.924 1.00 15.31 H new ATOM 0 HB3 ARG A 736 22.795 -10.968 1.260 1.00 15.31 H new ATOM 0 HG2 ARG A 736 23.414 -13.032 2.515 1.00 31.02 H new ATOM 0 HG3 ARG A 736 21.756 -13.161 3.066 1.00 31.02 H new ATOM 0 HD2 ARG A 736 20.963 -13.328 0.747 1.00 70.04 H new ATOM 0 HD3 ARG A 736 22.594 -13.098 0.148 1.00 70.04 H new ATOM 0 HE ARG A 736 22.217 -15.366 2.005 1.00 34.21 H new ATOM 0 HH11 ARG A 736 22.333 -14.278 -1.378 1.00 41.20 H new ATOM 0 HH12 ARG A 736 22.732 -15.883 -1.999 1.00 41.20 H new ATOM 0 HH21 ARG A 736 22.752 -17.406 1.195 1.00 55.32 H new ATOM 0 HH22 ARG A 736 22.968 -17.646 -0.543 1.00 55.32 H new ATOM 379 N ALA A 737 24.998 -9.852 3.399 1.00 31.20 N ATOM 380 CA ALA A 737 26.424 -9.987 3.646 1.00 32.14 C ATOM 381 C ALA A 737 26.718 -10.014 5.142 1.00 62.43 C ATOM 382 O ALA A 737 27.731 -10.540 5.578 1.00 1.14 O ATOM 383 CB ALA A 737 27.149 -8.840 3.008 1.00 71.42 C ATOM 0 H ALA A 737 24.729 -8.959 2.985 1.00 31.20 H new ATOM 0 HA ALA A 737 26.765 -10.928 3.214 1.00 32.14 H new ATOM 0 HB1 ALA A 737 28.219 -8.939 3.192 1.00 71.42 H new ATOM 0 HB2 ALA A 737 26.963 -8.844 1.934 1.00 71.42 H new ATOM 0 HB3 ALA A 737 26.793 -7.902 3.434 1.00 71.42 H new ATOM 389 N LYS A 738 25.821 -9.469 5.899 1.00 3.32 N ATOM 390 CA LYS A 738 25.992 -9.317 7.320 1.00 22.13 C ATOM 391 C LYS A 738 24.811 -9.883 8.074 1.00 10.50 C ATOM 392 O LYS A 738 24.955 -10.410 9.177 1.00 43.40 O ATOM 393 CB LYS A 738 26.216 -7.823 7.665 1.00 41.14 C ATOM 394 CG LYS A 738 25.542 -6.850 6.690 1.00 51.23 C ATOM 395 CD LYS A 738 25.730 -5.401 7.107 1.00 31.35 C ATOM 396 CE LYS A 738 27.194 -5.006 7.104 1.00 64.43 C ATOM 397 NZ LYS A 738 27.376 -3.557 7.334 1.00 74.44 N ATOM 0 H LYS A 738 24.933 -9.109 5.548 1.00 3.32 H new ATOM 0 HA LYS A 738 26.872 -9.881 7.629 1.00 22.13 H new ATOM 0 HB2 LYS A 738 25.840 -7.633 8.670 1.00 41.14 H new ATOM 0 HB3 LYS A 738 27.287 -7.621 7.682 1.00 41.14 H new ATOM 0 HG2 LYS A 738 25.953 -6.996 5.691 1.00 51.23 H new ATOM 0 HG3 LYS A 738 24.477 -7.075 6.632 1.00 51.23 H new ATOM 0 HD2 LYS A 738 25.176 -4.752 6.429 1.00 31.35 H new ATOM 0 HD3 LYS A 738 25.314 -5.251 8.103 1.00 31.35 H new ATOM 0 HE2 LYS A 738 27.722 -5.565 7.876 1.00 64.43 H new ATOM 0 HE3 LYS A 738 27.642 -5.281 6.149 1.00 64.43 H new ATOM 0 HZ1 LYS A 738 28.391 -3.329 7.324 1.00 74.44 H new ATOM 0 HZ2 LYS A 738 26.894 -3.023 6.583 1.00 74.44 H new ATOM 0 HZ3 LYS A 738 26.972 -3.298 8.257 1.00 74.44 H new ATOM 411 N TRP A 739 23.643 -9.792 7.474 1.00 64.14 N ATOM 412 CA TRP A 739 22.413 -10.238 8.101 1.00 41.42 C ATOM 413 C TRP A 739 21.675 -11.169 7.195 1.00 60.42 C ATOM 414 O TRP A 739 20.454 -11.045 6.990 1.00 72.51 O ATOM 415 CB TRP A 739 21.557 -9.038 8.478 1.00 24.24 C ATOM 416 CG TRP A 739 22.264 -8.129 9.415 1.00 45.03 C ATOM 417 CD1 TRP A 739 23.296 -7.308 9.112 1.00 50.43 C ATOM 418 CD2 TRP A 739 22.012 -7.959 10.797 1.00 14.43 C ATOM 419 NE1 TRP A 739 23.732 -6.672 10.206 1.00 43.54 N ATOM 420 CE2 TRP A 739 22.948 -7.030 11.270 1.00 24.22 C ATOM 421 CE3 TRP A 739 21.091 -8.502 11.685 1.00 70.23 C ATOM 422 CZ2 TRP A 739 22.993 -6.629 12.593 1.00 51.23 C ATOM 423 CZ3 TRP A 739 21.130 -8.104 13.000 1.00 34.51 C ATOM 424 CH2 TRP A 739 22.074 -7.175 13.445 1.00 64.22 C ATOM 0 H TRP A 739 23.518 -9.407 6.538 1.00 64.14 H new ATOM 0 HA TRP A 739 22.654 -10.784 9.013 1.00 41.42 H new ATOM 0 HB2 TRP A 739 21.283 -8.490 7.577 1.00 24.24 H new ATOM 0 HB3 TRP A 739 20.630 -9.382 8.936 1.00 24.24 H new ATOM 0 HD1 TRP A 739 23.711 -7.183 8.123 1.00 50.43 H new ATOM 0 HE1 TRP A 739 24.520 -6.026 10.241 1.00 43.54 H new ATOM 0 HE3 TRP A 739 20.360 -9.222 11.349 1.00 70.23 H new ATOM 0 HZ2 TRP A 739 23.724 -5.914 12.939 1.00 51.23 H new ATOM 0 HZ3 TRP A 739 20.419 -8.516 13.701 1.00 34.51 H new ATOM 0 HH2 TRP A 739 22.078 -6.882 14.484 1.00 64.22 H new ATOM 435 N ASP A 740 22.417 -12.090 6.638 1.00 4.40 N ATOM 436 CA ASP A 740 21.877 -13.197 5.821 1.00 34.34 C ATOM 437 C ASP A 740 20.678 -13.844 6.489 1.00 4.43 C ATOM 438 O ASP A 740 19.644 -14.020 5.876 1.00 14.33 O ATOM 439 CB ASP A 740 22.968 -14.255 5.604 1.00 22.40 C ATOM 440 CG ASP A 740 22.458 -15.516 4.941 1.00 0.24 C ATOM 441 OD1 ASP A 740 22.483 -15.588 3.709 1.00 74.43 O ATOM 442 OD2 ASP A 740 22.049 -16.454 5.661 1.00 43.31 O ATOM 0 H ASP A 740 23.433 -12.111 6.728 1.00 4.40 H new ATOM 0 HA ASP A 740 21.556 -12.785 4.864 1.00 34.34 H new ATOM 0 HB2 ASP A 740 23.762 -13.827 4.992 1.00 22.40 H new ATOM 0 HB3 ASP A 740 23.411 -14.513 6.566 1.00 22.40 H new ATOM 447 N THR A 741 20.822 -14.152 7.755 1.00 13.22 N ATOM 448 CA THR A 741 19.799 -14.863 8.499 1.00 24.14 C ATOM 449 C THR A 741 18.536 -13.982 8.745 1.00 25.22 C ATOM 450 O THR A 741 17.472 -14.492 9.101 1.00 2.50 O ATOM 451 CB THR A 741 20.364 -15.389 9.860 1.00 51.42 C ATOM 452 OG1 THR A 741 19.399 -16.242 10.512 1.00 22.45 O ATOM 453 CG2 THR A 741 20.732 -14.230 10.781 1.00 54.01 C ATOM 0 H THR A 741 21.650 -13.919 8.303 1.00 13.22 H new ATOM 0 HA THR A 741 19.496 -15.714 7.889 1.00 24.14 H new ATOM 0 HB THR A 741 21.264 -15.966 9.648 1.00 51.42 H new ATOM 0 HG1 THR A 741 18.494 -15.965 10.259 1.00 22.45 H new ATOM 0 HG21 THR A 741 21.122 -14.622 11.720 1.00 54.01 H new ATOM 0 HG22 THR A 741 21.491 -13.612 10.302 1.00 54.01 H new ATOM 0 HG23 THR A 741 19.846 -13.627 10.979 1.00 54.01 H new ATOM 461 N ALA A 742 18.666 -12.688 8.543 1.00 41.04 N ATOM 462 CA ALA A 742 17.563 -11.776 8.762 1.00 15.03 C ATOM 463 C ALA A 742 16.861 -11.437 7.451 1.00 25.53 C ATOM 464 O ALA A 742 15.628 -11.370 7.387 1.00 13.35 O ATOM 465 CB ALA A 742 18.055 -10.510 9.445 1.00 61.41 C ATOM 0 H ALA A 742 19.527 -12.243 8.226 1.00 41.04 H new ATOM 0 HA ALA A 742 16.839 -12.268 9.412 1.00 15.03 H new ATOM 0 HB1 ALA A 742 17.216 -9.833 9.604 1.00 61.41 H new ATOM 0 HB2 ALA A 742 18.502 -10.765 10.406 1.00 61.41 H new ATOM 0 HB3 ALA A 742 18.800 -10.023 8.816 1.00 61.41 H new ATOM 471 N ASN A 743 17.637 -11.244 6.411 1.00 41.10 N ATOM 472 CA ASN A 743 17.093 -10.813 5.120 1.00 64.43 C ATOM 473 C ASN A 743 16.724 -11.981 4.246 1.00 41.14 C ATOM 474 O ASN A 743 15.875 -11.865 3.376 1.00 74.11 O ATOM 475 CB ASN A 743 18.090 -9.909 4.387 1.00 63.33 C ATOM 476 CG ASN A 743 18.332 -8.601 5.106 1.00 61.34 C ATOM 477 OD1 ASN A 743 17.641 -7.603 4.864 1.00 60.45 O ATOM 478 ND2 ASN A 743 19.299 -8.592 5.986 1.00 22.13 N ATOM 0 H ASN A 743 18.648 -11.375 6.421 1.00 41.10 H new ATOM 0 HA ASN A 743 16.183 -10.250 5.329 1.00 64.43 H new ATOM 0 HB2 ASN A 743 19.037 -10.437 4.274 1.00 63.33 H new ATOM 0 HB3 ASN A 743 17.718 -9.703 3.383 1.00 63.33 H new ATOM 0 HD21 ASN A 743 19.509 -7.739 6.505 1.00 22.13 H new ATOM 0 HD22 ASN A 743 19.844 -9.438 6.154 1.00 22.13 H new ATOM 485 N ASN A 744 17.357 -13.090 4.462 1.00 24.15 N ATOM 486 CA ASN A 744 17.128 -14.268 3.649 1.00 3.34 C ATOM 487 C ASN A 744 16.745 -15.435 4.497 1.00 25.22 C ATOM 488 O ASN A 744 17.305 -15.639 5.572 1.00 11.11 O ATOM 489 CB ASN A 744 18.370 -14.603 2.816 1.00 42.12 C ATOM 490 CG ASN A 744 18.359 -13.966 1.434 1.00 35.34 C ATOM 491 OD1 ASN A 744 18.964 -14.471 0.518 1.00 42.43 O ATOM 492 ND2 ASN A 744 17.656 -12.887 1.285 1.00 2.44 N ATOM 0 H ASN A 744 18.048 -13.217 5.202 1.00 24.15 H new ATOM 0 HA ASN A 744 16.303 -14.050 2.971 1.00 3.34 H new ATOM 0 HB2 ASN A 744 19.259 -14.273 3.353 1.00 42.12 H new ATOM 0 HB3 ASN A 744 18.446 -15.685 2.709 1.00 42.12 H new ATOM 0 HD21 ASN A 744 17.601 -12.436 0.372 1.00 2.44 H new ATOM 0 HD22 ASN A 744 17.158 -12.489 2.081 1.00 2.44 H new ATOM 499 N PRO A 745 15.779 -16.225 4.042 1.00 33.41 N ATOM 500 CA PRO A 745 15.325 -17.398 4.767 1.00 21.35 C ATOM 501 C PRO A 745 16.310 -18.577 4.660 1.00 65.04 C ATOM 502 O PRO A 745 16.290 -19.489 5.500 1.00 1.20 O ATOM 503 CB PRO A 745 14.006 -17.743 4.082 1.00 31.42 C ATOM 504 CG PRO A 745 14.157 -17.241 2.695 1.00 41.43 C ATOM 505 CD PRO A 745 15.023 -16.018 2.784 1.00 24.34 C ATOM 0 HA PRO A 745 15.233 -17.205 5.836 1.00 21.35 H new ATOM 0 HB2 PRO A 745 13.822 -18.817 4.096 1.00 31.42 H new ATOM 0 HB3 PRO A 745 13.163 -17.269 4.585 1.00 31.42 H new ATOM 0 HG2 PRO A 745 14.614 -17.996 2.055 1.00 41.43 H new ATOM 0 HG3 PRO A 745 13.187 -17.000 2.260 1.00 41.43 H new ATOM 0 HD2 PRO A 745 15.688 -15.933 1.925 1.00 24.34 H new ATOM 0 HD3 PRO A 745 14.428 -15.105 2.818 1.00 24.34 H new ATOM 513 N LEU A 746 17.179 -18.551 3.627 1.00 32.42 N ATOM 514 CA LEU A 746 18.143 -19.643 3.406 1.00 43.21 C ATOM 515 C LEU A 746 19.083 -19.354 2.261 1.00 62.50 C ATOM 516 O LEU A 746 20.289 -19.594 2.359 1.00 15.11 O ATOM 517 CB LEU A 746 17.412 -20.972 3.154 1.00 71.14 C ATOM 518 CG LEU A 746 18.299 -22.191 2.825 1.00 34.11 C ATOM 519 CD1 LEU A 746 19.311 -22.445 3.935 1.00 41.24 C ATOM 520 CD2 LEU A 746 17.445 -23.422 2.594 1.00 23.23 C ATOM 0 H LEU A 746 17.231 -17.796 2.943 1.00 32.42 H new ATOM 0 HA LEU A 746 18.739 -19.723 4.315 1.00 43.21 H new ATOM 0 HB2 LEU A 746 16.820 -21.209 4.038 1.00 71.14 H new ATOM 0 HB3 LEU A 746 16.712 -20.826 2.331 1.00 71.14 H new ATOM 0 HG LEU A 746 18.849 -21.972 1.909 1.00 34.11 H new ATOM 0 HD11 LEU A 746 19.923 -23.309 3.678 1.00 41.24 H new ATOM 0 HD12 LEU A 746 19.950 -21.570 4.052 1.00 41.24 H new ATOM 0 HD13 LEU A 746 18.785 -22.638 4.870 1.00 41.24 H new ATOM 0 HD21 LEU A 746 18.087 -24.272 2.363 1.00 23.23 H new ATOM 0 HD22 LEU A 746 16.867 -23.637 3.492 1.00 23.23 H new ATOM 0 HD23 LEU A 746 16.766 -23.243 1.760 1.00 23.23 H new HETATM 532 N PTR A 747 18.556 -18.841 1.196 1.00 13.33 N HETATM 533 CA PTR A 747 19.314 -18.722 -0.020 1.00 45.30 C HETATM 534 C PTR A 747 18.748 -17.671 -0.858 1.00 62.32 C HETATM 535 O PTR A 747 19.438 -16.757 -1.288 1.00 51.22 O HETATM 536 CB PTR A 747 19.213 -20.040 -0.772 1.00 55.42 C HETATM 537 CG PTR A 747 20.113 -20.179 -1.978 1.00 23.21 C HETATM 538 CD1 PTR A 747 19.584 -20.412 -3.233 1.00 70.43 C HETATM 539 CD2 PTR A 747 21.491 -20.092 -1.857 1.00 14.41 C HETATM 540 CE1 PTR A 747 20.392 -20.555 -4.332 1.00 22.00 C HETATM 541 CE2 PTR A 747 22.311 -20.231 -2.959 1.00 34.24 C HETATM 542 CZ PTR A 747 21.755 -20.463 -4.193 1.00 51.51 C HETATM 543 OH PTR A 747 22.577 -20.612 -5.308 1.00 36.84 O HETATM 544 P PTR A 747 22.754 -19.551 -6.429 1.00 36.84 P HETATM 545 O1P PTR A 747 23.865 -20.036 -7.358 1.00 36.84 O HETATM 546 O2P PTR A 747 21.445 -19.518 -7.270 1.00 36.84 O HETATM 547 O3P PTR A 747 23.025 -18.349 -5.664 1.00 36.84 O HETATM 0 HE2 PTR A 747 23.393 -20.157 -2.850 1.00 34.24 H new HETATM 0 HE1 PTR A 747 19.954 -20.741 -5.312 1.00 22.00 H new HETATM 0 HD2 PTR A 747 21.934 -19.911 -0.878 1.00 14.41 H new HETATM 0 HD1 PTR A 747 18.503 -20.484 -3.352 1.00 70.43 H new HETATM 0 HB3 PTR A 747 19.438 -20.850 -0.079 1.00 55.42 H new HETATM 0 HB2 PTR A 747 18.181 -20.174 -1.095 1.00 55.42 H new HETATM 0 HA PTR A 747 20.350 -18.480 0.216 1.00 45.30 H new HETATM 0 H PTR A 747 17.754 -18.233 1.358 1.00 13.33 H new ATOM 556 N LYS A 748 17.495 -17.804 -1.115 1.00 11.02 N ATOM 557 CA LYS A 748 16.808 -16.954 -1.978 1.00 35.55 C ATOM 558 C LYS A 748 15.491 -16.562 -1.384 1.00 70.14 C ATOM 559 O LYS A 748 15.119 -17.034 -0.309 1.00 0.41 O ATOM 560 CB LYS A 748 16.576 -17.667 -3.300 1.00 5.35 C ATOM 561 CG LYS A 748 17.792 -17.779 -4.192 1.00 21.30 C ATOM 562 CD LYS A 748 18.537 -16.479 -4.266 1.00 14.01 C ATOM 563 CE LYS A 748 19.480 -16.441 -5.440 1.00 11.41 C ATOM 564 NZ LYS A 748 20.527 -17.467 -5.348 1.00 51.21 N ATOM 0 H LYS A 748 16.914 -18.537 -0.709 1.00 11.02 H new ATOM 0 HA LYS A 748 17.401 -16.054 -2.139 1.00 35.55 H new ATOM 0 HB2 LYS A 748 16.203 -18.670 -3.093 1.00 5.35 H new ATOM 0 HB3 LYS A 748 15.792 -17.142 -3.845 1.00 5.35 H new ATOM 0 HG2 LYS A 748 18.453 -18.558 -3.813 1.00 21.30 H new ATOM 0 HG3 LYS A 748 17.484 -18.082 -5.193 1.00 21.30 H new ATOM 0 HD2 LYS A 748 17.826 -15.657 -4.344 1.00 14.01 H new ATOM 0 HD3 LYS A 748 19.098 -16.329 -3.344 1.00 14.01 H new ATOM 0 HE2 LYS A 748 18.915 -16.583 -6.361 1.00 11.41 H new ATOM 0 HE3 LYS A 748 19.944 -15.456 -5.499 1.00 11.41 H new ATOM 0 HZ1 LYS A 748 21.450 -17.042 -5.570 1.00 51.21 H new ATOM 0 HZ2 LYS A 748 20.548 -17.856 -4.384 1.00 51.21 H new ATOM 0 HZ3 LYS A 748 20.325 -18.230 -6.025 1.00 51.21 H new ATOM 578 N GLU A 749 14.785 -15.726 -2.082 1.00 74.15 N ATOM 579 CA GLU A 749 13.486 -15.258 -1.665 1.00 43.03 C ATOM 580 C GLU A 749 12.459 -16.373 -1.792 1.00 52.41 C ATOM 581 O GLU A 749 11.679 -16.621 -0.880 1.00 12.02 O ATOM 582 CB GLU A 749 13.068 -14.064 -2.536 1.00 53.11 C ATOM 583 CG GLU A 749 11.716 -13.485 -2.200 1.00 61.15 C ATOM 584 CD GLU A 749 11.660 -12.921 -0.810 1.00 32.42 C ATOM 585 OE1 GLU A 749 12.301 -11.876 -0.555 1.00 44.43 O ATOM 586 OE2 GLU A 749 10.980 -13.520 0.053 1.00 32.34 O ATOM 0 H GLU A 749 15.095 -15.339 -2.974 1.00 74.15 H new ATOM 0 HA GLU A 749 13.538 -14.947 -0.622 1.00 43.03 H new ATOM 0 HB2 GLU A 749 13.819 -13.280 -2.439 1.00 53.11 H new ATOM 0 HB3 GLU A 749 13.066 -14.376 -3.580 1.00 53.11 H new ATOM 0 HG2 GLU A 749 11.472 -12.701 -2.917 1.00 61.15 H new ATOM 0 HG3 GLU A 749 10.957 -14.260 -2.305 1.00 61.15 H new ATOM 593 N ALA A 750 12.494 -17.055 -2.921 1.00 1.32 N ATOM 594 CA ALA A 750 11.535 -18.115 -3.226 1.00 50.04 C ATOM 595 C ALA A 750 11.814 -19.391 -2.423 1.00 72.23 C ATOM 596 O ALA A 750 11.036 -20.332 -2.459 1.00 74.34 O ATOM 597 CB ALA A 750 11.515 -18.406 -4.711 1.00 55.40 C ATOM 0 H ALA A 750 13.184 -16.895 -3.655 1.00 1.32 H new ATOM 0 HA ALA A 750 10.549 -17.757 -2.929 1.00 50.04 H new ATOM 0 HB1 ALA A 750 10.795 -19.198 -4.917 1.00 55.40 H new ATOM 0 HB2 ALA A 750 11.229 -17.505 -5.254 1.00 55.40 H new ATOM 0 HB3 ALA A 750 12.506 -18.725 -5.033 1.00 55.40 H new ATOM 603 N THR A 751 12.927 -19.407 -1.716 1.00 2.33 N ATOM 604 CA THR A 751 13.315 -20.544 -0.888 1.00 41.44 C ATOM 605 C THR A 751 12.281 -20.797 0.258 1.00 12.32 C ATOM 606 O THR A 751 12.240 -21.876 0.846 1.00 51.34 O ATOM 607 CB THR A 751 14.726 -20.328 -0.287 1.00 34.51 C ATOM 608 OG1 THR A 751 15.634 -19.986 -1.339 1.00 62.54 O ATOM 609 CG2 THR A 751 15.222 -21.591 0.393 1.00 51.23 C ATOM 0 H THR A 751 13.592 -18.634 -1.696 1.00 2.33 H new ATOM 0 HA THR A 751 13.334 -21.424 -1.531 1.00 41.44 H new ATOM 0 HB THR A 751 14.671 -19.527 0.451 1.00 34.51 H new ATOM 0 HG1 THR A 751 16.150 -20.778 -1.596 1.00 62.54 H new ATOM 0 HG21 THR A 751 16.215 -21.415 0.807 1.00 51.23 H new ATOM 0 HG22 THR A 751 14.537 -21.865 1.195 1.00 51.23 H new ATOM 0 HG23 THR A 751 15.271 -22.401 -0.335 1.00 51.23 H new ATOM 617 N SER A 752 11.487 -19.803 0.565 1.00 4.41 N ATOM 618 CA SER A 752 10.500 -19.934 1.600 1.00 4.13 C ATOM 619 C SER A 752 9.284 -20.757 1.098 1.00 65.35 C ATOM 620 O SER A 752 8.782 -21.643 1.805 1.00 54.43 O ATOM 621 CB SER A 752 10.057 -18.550 2.088 1.00 24.40 C ATOM 622 OG SER A 752 9.287 -18.638 3.276 1.00 11.33 O ATOM 0 H SER A 752 11.507 -18.891 0.109 1.00 4.41 H new ATOM 0 HA SER A 752 10.945 -20.470 2.438 1.00 4.13 H new ATOM 0 HB2 SER A 752 10.934 -17.929 2.267 1.00 24.40 H new ATOM 0 HB3 SER A 752 9.472 -18.059 1.310 1.00 24.40 H new ATOM 0 HG SER A 752 9.022 -17.739 3.561 1.00 11.33 H new ATOM 628 N THR A 753 8.834 -20.465 -0.111 1.00 2.22 N ATOM 629 CA THR A 753 7.700 -21.156 -0.690 1.00 63.02 C ATOM 630 C THR A 753 8.138 -22.445 -1.452 1.00 25.54 C ATOM 631 O THR A 753 7.396 -23.421 -1.509 1.00 44.21 O ATOM 632 CB THR A 753 6.863 -20.205 -1.637 1.00 52.41 C ATOM 633 OG1 THR A 753 5.696 -20.882 -2.135 1.00 3.41 O ATOM 634 CG2 THR A 753 7.704 -19.706 -2.807 1.00 45.14 C ATOM 0 H THR A 753 9.242 -19.749 -0.712 1.00 2.22 H new ATOM 0 HA THR A 753 7.057 -21.459 0.137 1.00 63.02 H new ATOM 0 HB THR A 753 6.552 -19.346 -1.043 1.00 52.41 H new ATOM 0 HG1 THR A 753 5.191 -20.277 -2.717 1.00 3.41 H new ATOM 0 HG21 THR A 753 7.099 -19.055 -3.438 1.00 45.14 H new ATOM 0 HG22 THR A 753 8.561 -19.149 -2.428 1.00 45.14 H new ATOM 0 HG23 THR A 753 8.054 -20.556 -3.392 1.00 45.14 H new ATOM 642 N PHE A 754 9.340 -22.431 -2.009 1.00 73.13 N ATOM 643 CA PHE A 754 9.871 -23.589 -2.745 1.00 11.40 C ATOM 644 C PHE A 754 11.094 -24.144 -2.034 1.00 53.43 C ATOM 645 O PHE A 754 11.346 -23.814 -0.887 1.00 62.44 O ATOM 646 CB PHE A 754 10.256 -23.191 -4.180 1.00 73.43 C ATOM 647 CG PHE A 754 9.134 -22.632 -4.992 1.00 33.42 C ATOM 648 CD1 PHE A 754 8.019 -23.392 -5.268 1.00 51.33 C ATOM 649 CD2 PHE A 754 9.199 -21.345 -5.487 1.00 11.44 C ATOM 650 CE1 PHE A 754 6.989 -22.879 -6.020 1.00 10.23 C ATOM 651 CE2 PHE A 754 8.173 -20.825 -6.240 1.00 21.22 C ATOM 652 CZ PHE A 754 7.066 -21.593 -6.507 1.00 70.13 C ATOM 0 H PHE A 754 9.974 -21.633 -1.970 1.00 73.13 H new ATOM 0 HA PHE A 754 9.093 -24.352 -2.784 1.00 11.40 H new ATOM 0 HB2 PHE A 754 11.058 -22.454 -4.136 1.00 73.43 H new ATOM 0 HB3 PHE A 754 10.656 -24.067 -4.691 1.00 73.43 H new ATOM 0 HD1 PHE A 754 7.953 -24.401 -4.890 1.00 51.33 H new ATOM 0 HD2 PHE A 754 10.068 -20.738 -5.280 1.00 11.44 H new ATOM 0 HE1 PHE A 754 6.119 -23.484 -6.229 1.00 10.23 H new ATOM 0 HE2 PHE A 754 8.237 -19.816 -6.620 1.00 21.22 H new ATOM 0 HZ PHE A 754 6.257 -21.189 -7.098 1.00 70.13 H new ATOM 662 N THR A 755 11.830 -24.993 -2.703 1.00 22.50 N ATOM 663 CA THR A 755 13.070 -25.490 -2.163 1.00 5.23 C ATOM 664 C THR A 755 14.210 -25.344 -3.198 1.00 63.44 C ATOM 665 O THR A 755 15.336 -25.031 -2.846 1.00 15.15 O ATOM 666 CB THR A 755 12.945 -26.980 -1.648 1.00 54.24 C ATOM 667 OG1 THR A 755 14.177 -27.406 -1.037 1.00 52.41 O ATOM 668 CG2 THR A 755 12.581 -27.933 -2.777 1.00 33.34 C ATOM 0 H THR A 755 11.592 -25.356 -3.626 1.00 22.50 H new ATOM 0 HA THR A 755 13.315 -24.881 -1.293 1.00 5.23 H new ATOM 0 HB THR A 755 12.145 -27.003 -0.908 1.00 54.24 H new ATOM 0 HG1 THR A 755 14.084 -28.329 -0.722 1.00 52.41 H new ATOM 0 HG21 THR A 755 12.504 -28.948 -2.386 1.00 33.34 H new ATOM 0 HG22 THR A 755 11.625 -27.637 -3.209 1.00 33.34 H new ATOM 0 HG23 THR A 755 13.353 -27.898 -3.546 1.00 33.34 H new ATOM 676 N ASN A 756 13.882 -25.542 -4.463 1.00 70.00 N ATOM 677 CA ASN A 756 14.828 -25.369 -5.549 1.00 65.32 C ATOM 678 C ASN A 756 14.117 -24.909 -6.783 1.00 4.34 C ATOM 679 O ASN A 756 13.350 -25.658 -7.385 1.00 63.52 O ATOM 680 CB ASN A 756 15.582 -26.642 -5.828 1.00 45.51 C ATOM 681 CG ASN A 756 16.671 -26.429 -6.853 1.00 62.02 C ATOM 682 OD1 ASN A 756 17.218 -25.323 -6.992 1.00 44.12 O ATOM 683 ND2 ASN A 756 16.991 -27.425 -7.546 1.00 33.55 N ATOM 0 H ASN A 756 12.951 -25.828 -4.765 1.00 70.00 H new ATOM 0 HA ASN A 756 15.551 -24.611 -5.248 1.00 65.32 H new ATOM 0 HB2 ASN A 756 16.020 -27.016 -4.903 1.00 45.51 H new ATOM 0 HB3 ASN A 756 14.890 -27.405 -6.184 1.00 45.51 H new ATOM 0 HD21 ASN A 756 17.723 -27.341 -8.252 1.00 33.55 H new ATOM 0 HD22 ASN A 756 16.519 -28.318 -7.404 1.00 33.55 H new ATOM 690 N ILE A 757 14.347 -23.685 -7.156 1.00 11.32 N ATOM 691 CA ILE A 757 13.660 -23.098 -8.281 1.00 32.02 C ATOM 692 C ILE A 757 14.658 -22.678 -9.343 1.00 41.13 C ATOM 693 O ILE A 757 15.856 -22.598 -9.072 1.00 21.04 O ATOM 694 CB ILE A 757 12.761 -21.857 -7.869 1.00 45.45 C ATOM 695 CG1 ILE A 757 12.688 -21.678 -6.330 1.00 63.22 C ATOM 696 CG2 ILE A 757 11.366 -22.011 -8.434 1.00 12.03 C ATOM 697 CD1 ILE A 757 13.884 -20.983 -5.725 1.00 32.31 C ATOM 0 H ILE A 757 15.012 -23.063 -6.695 1.00 11.32 H new ATOM 0 HA ILE A 757 12.994 -23.863 -8.679 1.00 32.02 H new ATOM 0 HB ILE A 757 13.228 -20.965 -8.286 1.00 45.45 H new ATOM 0 HG12 ILE A 757 11.791 -21.110 -6.085 1.00 63.22 H new ATOM 0 HG13 ILE A 757 12.581 -22.659 -5.867 1.00 63.22 H new ATOM 0 HG21 ILE A 757 10.759 -21.153 -8.144 1.00 12.03 H new ATOM 0 HG22 ILE A 757 11.418 -22.068 -9.521 1.00 12.03 H new ATOM 0 HG23 ILE A 757 10.914 -22.923 -8.044 1.00 12.03 H new ATOM 0 HD11 ILE A 757 13.750 -20.900 -4.647 1.00 32.31 H new ATOM 0 HD12 ILE A 757 14.785 -21.560 -5.935 1.00 32.31 H new ATOM 0 HD13 ILE A 757 13.982 -19.987 -6.156 1.00 32.31 H new ATOM 709 N THR A 758 14.181 -22.425 -10.541 1.00 13.31 N ATOM 710 CA THR A 758 15.060 -22.052 -11.617 1.00 14.31 C ATOM 711 C THR A 758 15.437 -20.551 -11.562 1.00 31.32 C ATOM 712 O THR A 758 16.610 -20.201 -11.661 1.00 11.32 O ATOM 713 CB THR A 758 14.492 -22.447 -13.033 1.00 43.01 C ATOM 714 OG1 THR A 758 15.461 -22.153 -14.047 1.00 15.23 O ATOM 715 CG2 THR A 758 13.184 -21.724 -13.345 1.00 54.33 C ATOM 0 H THR A 758 13.193 -22.471 -10.790 1.00 13.31 H new ATOM 0 HA THR A 758 15.974 -22.629 -11.473 1.00 14.31 H new ATOM 0 HB THR A 758 14.285 -23.517 -13.018 1.00 43.01 H new ATOM 0 HG1 THR A 758 15.102 -22.402 -14.924 1.00 15.23 H new ATOM 0 HG21 THR A 758 12.828 -22.025 -14.330 1.00 54.33 H new ATOM 0 HG22 THR A 758 12.437 -21.983 -12.594 1.00 54.33 H new ATOM 0 HG23 THR A 758 13.352 -20.647 -13.334 1.00 54.33 H new ATOM 723 N TYR A 759 14.441 -19.678 -11.373 1.00 63.34 N ATOM 724 CA TYR A 759 14.707 -18.238 -11.282 1.00 72.15 C ATOM 725 C TYR A 759 15.272 -17.878 -9.942 1.00 5.20 C ATOM 726 O TYR A 759 16.080 -16.962 -9.827 1.00 3.03 O ATOM 727 CB TYR A 759 13.447 -17.413 -11.574 1.00 33.22 C ATOM 728 CG TYR A 759 13.069 -17.366 -13.039 1.00 55.25 C ATOM 729 CD1 TYR A 759 13.693 -16.476 -13.905 1.00 14.25 C ATOM 730 CD2 TYR A 759 12.094 -18.204 -13.556 1.00 31.33 C ATOM 731 CE1 TYR A 759 13.354 -16.425 -15.241 1.00 44.11 C ATOM 732 CE2 TYR A 759 11.749 -18.161 -14.892 1.00 24.11 C ATOM 733 CZ TYR A 759 12.382 -17.269 -15.730 1.00 40.54 C ATOM 734 OH TYR A 759 12.041 -17.221 -17.061 1.00 23.34 O ATOM 0 H TYR A 759 13.459 -19.937 -11.281 1.00 63.34 H new ATOM 0 HA TYR A 759 15.449 -17.997 -12.043 1.00 72.15 H new ATOM 0 HB2 TYR A 759 12.614 -17.828 -11.007 1.00 33.22 H new ATOM 0 HB3 TYR A 759 13.600 -16.395 -11.216 1.00 33.22 H new ATOM 0 HD1 TYR A 759 14.456 -15.813 -13.525 1.00 14.25 H new ATOM 0 HD2 TYR A 759 11.595 -18.904 -12.902 1.00 31.33 H new ATOM 0 HE1 TYR A 759 13.848 -15.727 -15.900 1.00 44.11 H new ATOM 0 HE2 TYR A 759 10.988 -18.823 -15.278 1.00 24.11 H new ATOM 0 HH TYR A 759 11.340 -17.882 -17.243 1.00 23.34 H new ATOM 744 N ARG A 760 14.852 -18.621 -8.924 1.00 43.52 N ATOM 745 CA ARG A 760 15.305 -18.411 -7.553 1.00 52.01 C ATOM 746 C ARG A 760 15.033 -17.032 -7.070 1.00 70.41 C ATOM 747 O ARG A 760 15.905 -16.172 -7.062 1.00 52.21 O ATOM 748 CB ARG A 760 16.755 -18.797 -7.371 1.00 63.52 C ATOM 749 CG ARG A 760 16.955 -20.262 -7.415 1.00 62.33 C ATOM 750 CD ARG A 760 18.385 -20.644 -7.233 1.00 52.22 C ATOM 751 NE ARG A 760 18.545 -22.086 -7.230 1.00 71.12 N ATOM 752 CZ ARG A 760 19.697 -22.721 -7.388 1.00 72.14 C ATOM 753 NH1 ARG A 760 20.834 -22.032 -7.530 1.00 64.31 N ATOM 754 NH2 ARG A 760 19.720 -24.038 -7.378 1.00 51.12 N ATOM 0 H ARG A 760 14.187 -19.387 -9.026 1.00 43.52 H new ATOM 0 HA ARG A 760 14.715 -19.080 -6.927 1.00 52.01 H new ATOM 0 HB2 ARG A 760 17.355 -18.327 -8.151 1.00 63.52 H new ATOM 0 HB3 ARG A 760 17.114 -18.412 -6.417 1.00 63.52 H new ATOM 0 HG2 ARG A 760 16.354 -20.732 -6.637 1.00 62.33 H new ATOM 0 HG3 ARG A 760 16.597 -20.647 -8.370 1.00 62.33 H new ATOM 0 HD2 ARG A 760 18.985 -20.210 -8.033 1.00 52.22 H new ATOM 0 HD3 ARG A 760 18.758 -20.232 -6.295 1.00 52.22 H new ATOM 0 HE ARG A 760 17.708 -22.653 -7.096 1.00 71.12 H new ATOM 0 HH11 ARG A 760 20.817 -21.012 -7.517 1.00 64.31 H new ATOM 0 HH12 ARG A 760 21.718 -22.526 -7.651 1.00 64.31 H new ATOM 0 HH21 ARG A 760 18.855 -24.562 -7.249 1.00 51.12 H new ATOM 0 HH22 ARG A 760 20.603 -24.534 -7.499 1.00 51.12 H new ATOM 768 N GLY A 761 13.827 -16.823 -6.691 1.00 63.33 N ATOM 769 CA GLY A 761 13.411 -15.568 -6.230 1.00 54.01 C ATOM 770 C GLY A 761 12.061 -15.242 -6.760 1.00 41.13 C ATOM 771 O GLY A 761 11.232 -14.689 -6.060 1.00 0.32 O ATOM 0 H GLY A 761 13.096 -17.535 -6.695 1.00 63.33 H new ATOM 0 HA2 GLY A 761 13.392 -15.562 -5.140 1.00 54.01 H new ATOM 0 HA3 GLY A 761 14.125 -14.805 -6.541 1.00 54.01 H new ATOM 775 N THR A 762 11.841 -15.614 -8.025 1.00 33.24 N ATOM 776 CA THR A 762 10.557 -15.452 -8.713 1.00 21.22 C ATOM 777 C THR A 762 10.068 -14.001 -8.668 1.00 41.01 C ATOM 778 O THR A 762 9.066 -13.725 -7.985 1.00 53.22 O ATOM 779 CB THR A 762 9.445 -16.449 -8.173 1.00 2.24 C ATOM 780 OG1 THR A 762 9.290 -16.323 -6.737 1.00 21.34 O ATOM 781 CG2 THR A 762 9.810 -17.886 -8.507 1.00 10.23 C ATOM 782 OXT THR A 762 10.719 -13.136 -9.294 1.00 36.84 O ATOM 0 H THR A 762 12.560 -16.042 -8.608 1.00 33.24 H new ATOM 0 HA THR A 762 10.735 -15.712 -9.756 1.00 21.22 H new ATOM 0 HB THR A 762 8.505 -16.189 -8.659 1.00 2.24 H new ATOM 0 HG1 THR A 762 9.689 -15.480 -6.438 1.00 21.34 H new ATOM 0 HG21 THR A 762 9.037 -18.555 -8.129 1.00 10.23 H new ATOM 0 HG22 THR A 762 9.891 -17.999 -9.588 1.00 10.23 H new ATOM 0 HG23 THR A 762 10.764 -18.136 -8.043 1.00 10.23 H new TER 790 THR A 762