USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=12 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 Set 1.1: A 755 THR OG1 : rot -68:sc= 0.462 USER MOD Set 1.2: A 756 ASN : amide:sc= 0.178 K(o=0.64,f=-0.39) USER MOD Single : A 716 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0356) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 725 LYS NZ :NH3+ 173:sc= 2.34 (180deg=2.25) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= -0.0422 (180deg=-0.0422) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -23:sc= 0.1 USER MOD Single : A 743 ASN : amide:sc= -1.43! C(o=-1.4!,f=-1.7!) USER MOD Single : A 744 ASN : amide:sc= -2.33! K(o=-2.3!,f=-0.98) USER MOD Single : A 748 LYS NZ :NH3+ 172:sc= 0.93 (180deg=0.0765) USER MOD Single : A 751 THR OG1 : rot -150:sc= 0 USER MOD Single : A 752 SER OG : rot -30:sc= 0.171 USER MOD Single : A 753 THR OG1 : rot -170:sc= -0.497 USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 759 TYR OH : rot 180:sc= 0 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 716 3.755 -1.784 3.172 1.00 13.00 N ATOM 2 CA LYS A 716 4.908 -1.702 2.275 1.00 3.51 C ATOM 3 C LYS A 716 5.383 -3.077 1.812 1.00 4.14 C ATOM 4 O LYS A 716 6.263 -3.177 0.971 1.00 31.12 O ATOM 5 CB LYS A 716 6.084 -0.895 2.921 1.00 22.35 C ATOM 6 CG LYS A 716 6.442 -1.273 4.393 1.00 31.02 C ATOM 7 CD LYS A 716 6.999 -2.699 4.529 1.00 2.34 C ATOM 8 CE LYS A 716 8.313 -2.882 3.771 1.00 52.50 C ATOM 9 NZ LYS A 716 9.416 -2.073 4.350 1.00 10.33 N ATOM 0 HA LYS A 716 4.572 -1.161 1.390 1.00 3.51 H new ATOM 0 HB2 LYS A 716 6.973 -1.030 2.305 1.00 22.35 H new ATOM 0 HB3 LYS A 716 5.832 0.165 2.889 1.00 22.35 H new ATOM 0 HG2 LYS A 716 7.176 -0.564 4.776 1.00 31.02 H new ATOM 0 HG3 LYS A 716 5.551 -1.176 5.014 1.00 31.02 H new ATOM 0 HD2 LYS A 716 7.155 -2.927 5.583 1.00 2.34 H new ATOM 0 HD3 LYS A 716 6.264 -3.411 4.155 1.00 2.34 H new ATOM 0 HE2 LYS A 716 8.593 -3.935 3.783 1.00 52.50 H new ATOM 0 HE3 LYS A 716 8.170 -2.602 2.727 1.00 52.50 H new ATOM 0 HZ1 LYS A 716 10.310 -2.319 3.880 1.00 10.33 H new ATOM 0 HZ2 LYS A 716 9.216 -1.062 4.208 1.00 10.33 H new ATOM 0 HZ3 LYS A 716 9.494 -2.271 5.368 1.00 10.33 H new ATOM 23 N LEU A 717 4.802 -4.124 2.355 1.00 41.23 N ATOM 24 CA LEU A 717 5.241 -5.468 2.049 1.00 22.12 C ATOM 25 C LEU A 717 4.901 -5.861 0.622 1.00 63.50 C ATOM 26 O LEU A 717 5.721 -6.433 -0.071 1.00 3.42 O ATOM 27 CB LEU A 717 4.662 -6.463 3.019 1.00 0.44 C ATOM 28 CG LEU A 717 5.011 -7.926 2.741 1.00 54.22 C ATOM 29 CD1 LEU A 717 6.449 -8.230 3.136 1.00 53.12 C ATOM 30 CD2 LEU A 717 4.038 -8.863 3.427 1.00 31.41 C ATOM 0 H LEU A 717 4.023 -4.071 3.012 1.00 41.23 H new ATOM 0 HA LEU A 717 6.326 -5.479 2.149 1.00 22.12 H new ATOM 0 HB2 LEU A 717 5.005 -6.209 4.022 1.00 0.44 H new ATOM 0 HB3 LEU A 717 3.577 -6.359 3.017 1.00 0.44 H new ATOM 0 HG LEU A 717 4.922 -8.092 1.667 1.00 54.22 H new ATOM 0 HD11 LEU A 717 6.670 -9.277 2.928 1.00 53.12 H new ATOM 0 HD12 LEU A 717 7.125 -7.595 2.564 1.00 53.12 H new ATOM 0 HD13 LEU A 717 6.583 -8.036 4.200 1.00 53.12 H new ATOM 0 HD21 LEU A 717 4.313 -9.895 3.210 1.00 31.41 H new ATOM 0 HD22 LEU A 717 4.071 -8.697 4.504 1.00 31.41 H new ATOM 0 HD23 LEU A 717 3.029 -8.672 3.061 1.00 31.41 H new ATOM 42 N LEU A 718 3.700 -5.529 0.179 1.00 15.25 N ATOM 43 CA LEU A 718 3.280 -5.851 -1.198 1.00 31.30 C ATOM 44 C LEU A 718 4.167 -5.135 -2.193 1.00 11.01 C ATOM 45 O LEU A 718 4.374 -5.600 -3.320 1.00 31.10 O ATOM 46 CB LEU A 718 1.797 -5.472 -1.448 1.00 61.44 C ATOM 47 CG LEU A 718 0.722 -6.301 -0.701 1.00 11.24 C ATOM 48 CD1 LEU A 718 0.725 -5.999 0.789 1.00 24.14 C ATOM 49 CD2 LEU A 718 -0.652 -6.046 -1.296 1.00 23.35 C ATOM 0 H LEU A 718 2.997 -5.042 0.736 1.00 15.25 H new ATOM 0 HA LEU A 718 3.378 -6.929 -1.330 1.00 31.30 H new ATOM 0 HB2 LEU A 718 1.665 -4.424 -1.177 1.00 61.44 H new ATOM 0 HB3 LEU A 718 1.603 -5.552 -2.518 1.00 61.44 H new ATOM 0 HG LEU A 718 0.966 -7.356 -0.825 1.00 11.24 H new ATOM 0 HD11 LEU A 718 -0.041 -6.597 1.283 1.00 24.14 H new ATOM 0 HD12 LEU A 718 1.702 -6.242 1.208 1.00 24.14 H new ATOM 0 HD13 LEU A 718 0.516 -4.941 0.946 1.00 24.14 H new ATOM 0 HD21 LEU A 718 -1.396 -6.636 -0.760 1.00 23.35 H new ATOM 0 HD22 LEU A 718 -0.896 -4.987 -1.208 1.00 23.35 H new ATOM 0 HD23 LEU A 718 -0.652 -6.332 -2.348 1.00 23.35 H new ATOM 61 N ILE A 719 4.710 -4.029 -1.759 1.00 43.34 N ATOM 62 CA ILE A 719 5.564 -3.234 -2.561 1.00 44.52 C ATOM 63 C ILE A 719 6.984 -3.783 -2.489 1.00 64.31 C ATOM 64 O ILE A 719 7.719 -3.780 -3.482 1.00 24.34 O ATOM 65 CB ILE A 719 5.553 -1.754 -2.068 1.00 12.31 C ATOM 66 CG1 ILE A 719 4.097 -1.227 -1.963 1.00 63.53 C ATOM 67 CG2 ILE A 719 6.385 -0.865 -2.990 1.00 43.23 C ATOM 68 CD1 ILE A 719 3.341 -1.213 -3.281 1.00 75.01 C ATOM 0 H ILE A 719 4.561 -3.660 -0.820 1.00 43.34 H new ATOM 0 HA ILE A 719 5.208 -3.264 -3.591 1.00 44.52 H new ATOM 0 HB ILE A 719 6.003 -1.722 -1.076 1.00 12.31 H new ATOM 0 HG12 ILE A 719 3.550 -1.844 -1.250 1.00 63.53 H new ATOM 0 HG13 ILE A 719 4.117 -0.215 -1.558 1.00 63.53 H new ATOM 0 HG21 ILE A 719 6.361 0.162 -2.624 1.00 43.23 H new ATOM 0 HG22 ILE A 719 7.415 -1.221 -3.006 1.00 43.23 H new ATOM 0 HG23 ILE A 719 5.973 -0.901 -3.999 1.00 43.23 H new ATOM 0 HD11 ILE A 719 2.333 -0.831 -3.118 1.00 75.01 H new ATOM 0 HD12 ILE A 719 3.862 -0.572 -3.992 1.00 75.01 H new ATOM 0 HD13 ILE A 719 3.285 -2.226 -3.679 1.00 75.01 H new ATOM 80 N THR A 720 7.359 -4.294 -1.310 1.00 12.12 N ATOM 81 CA THR A 720 8.688 -4.788 -1.105 1.00 3.42 C ATOM 82 C THR A 720 8.905 -6.073 -1.907 1.00 22.45 C ATOM 83 O THR A 720 10.016 -6.381 -2.302 1.00 62.33 O ATOM 84 CB THR A 720 9.017 -5.012 0.431 1.00 4.13 C ATOM 85 OG1 THR A 720 10.413 -4.781 0.683 1.00 22.31 O ATOM 86 CG2 THR A 720 8.674 -6.429 0.868 1.00 0.52 C ATOM 0 H THR A 720 6.748 -4.368 -0.497 1.00 12.12 H new ATOM 0 HA THR A 720 9.380 -4.027 -1.465 1.00 3.42 H new ATOM 0 HB THR A 720 8.412 -4.305 0.999 1.00 4.13 H new ATOM 0 HG1 THR A 720 10.601 -4.921 1.635 1.00 22.31 H new ATOM 0 HG21 THR A 720 8.911 -6.551 1.925 1.00 0.52 H new ATOM 0 HG22 THR A 720 7.611 -6.611 0.711 1.00 0.52 H new ATOM 0 HG23 THR A 720 9.254 -7.141 0.282 1.00 0.52 H new ATOM 94 N ILE A 721 7.803 -6.802 -2.157 1.00 32.02 N ATOM 95 CA ILE A 721 7.833 -8.004 -2.982 1.00 2.25 C ATOM 96 C ILE A 721 8.368 -7.669 -4.344 1.00 43.02 C ATOM 97 O ILE A 721 9.165 -8.400 -4.907 1.00 24.41 O ATOM 98 CB ILE A 721 6.407 -8.594 -3.150 1.00 62.12 C ATOM 99 CG1 ILE A 721 5.823 -8.987 -1.788 1.00 43.25 C ATOM 100 CG2 ILE A 721 6.420 -9.798 -4.111 1.00 31.11 C ATOM 101 CD1 ILE A 721 4.394 -9.478 -1.845 1.00 54.42 C ATOM 0 H ILE A 721 6.879 -6.570 -1.793 1.00 32.02 H new ATOM 0 HA ILE A 721 8.472 -8.736 -2.489 1.00 2.25 H new ATOM 0 HB ILE A 721 5.769 -7.825 -3.586 1.00 62.12 H new ATOM 0 HG12 ILE A 721 6.446 -9.766 -1.349 1.00 43.25 H new ATOM 0 HG13 ILE A 721 5.873 -8.126 -1.122 1.00 43.25 H new ATOM 0 HG21 ILE A 721 5.409 -10.194 -4.212 1.00 31.11 H new ATOM 0 HG22 ILE A 721 6.785 -9.480 -5.088 1.00 31.11 H new ATOM 0 HG23 ILE A 721 7.075 -10.573 -3.714 1.00 31.11 H new ATOM 0 HD11 ILE A 721 4.057 -9.735 -0.841 1.00 54.42 H new ATOM 0 HD12 ILE A 721 3.756 -8.694 -2.252 1.00 54.42 H new ATOM 0 HD13 ILE A 721 4.337 -10.360 -2.483 1.00 54.42 H new ATOM 113 N HIS A 722 7.945 -6.547 -4.849 1.00 34.43 N ATOM 114 CA HIS A 722 8.324 -6.110 -6.149 1.00 24.22 C ATOM 115 C HIS A 722 9.767 -5.682 -6.154 1.00 44.34 C ATOM 116 O HIS A 722 10.519 -5.990 -7.080 1.00 54.21 O ATOM 117 CB HIS A 722 7.452 -4.952 -6.570 1.00 4.45 C ATOM 118 CG HIS A 722 7.375 -4.780 -8.020 1.00 10.22 C ATOM 119 ND1 HIS A 722 7.965 -3.740 -8.699 1.00 52.33 N ATOM 120 CD2 HIS A 722 6.767 -5.523 -8.932 1.00 2.32 C ATOM 121 CE1 HIS A 722 7.712 -3.859 -9.975 1.00 34.33 C ATOM 122 NE2 HIS A 722 6.985 -4.936 -10.149 1.00 22.22 N ATOM 0 H HIS A 722 7.320 -5.907 -4.359 1.00 34.43 H new ATOM 0 HA HIS A 722 8.197 -6.936 -6.849 1.00 24.22 H new ATOM 0 HB2 HIS A 722 6.447 -5.101 -6.175 1.00 4.45 H new ATOM 0 HB3 HIS A 722 7.837 -4.036 -6.123 1.00 4.45 H new ATOM 0 HD2 HIS A 722 6.203 -6.426 -8.749 1.00 2.32 H new ATOM 0 HE1 HIS A 722 8.044 -3.187 -10.752 1.00 34.33 H new ATOM 0 HE2 HIS A 722 6.639 -5.280 -11.045 1.00 22.22 H new ATOM 131 N ASP A 723 10.161 -4.996 -5.109 1.00 21.02 N ATOM 132 CA ASP A 723 11.517 -4.486 -5.005 1.00 4.10 C ATOM 133 C ASP A 723 12.510 -5.574 -4.702 1.00 71.42 C ATOM 134 O ASP A 723 13.685 -5.401 -4.930 1.00 52.52 O ATOM 135 CB ASP A 723 11.631 -3.362 -3.979 1.00 72.13 C ATOM 136 CG ASP A 723 11.041 -2.061 -4.465 1.00 22.32 C ATOM 137 OD1 ASP A 723 11.613 -1.456 -5.405 1.00 51.00 O ATOM 138 OD2 ASP A 723 10.012 -1.623 -3.916 1.00 73.32 O ATOM 0 H ASP A 723 9.563 -4.774 -4.313 1.00 21.02 H new ATOM 0 HA ASP A 723 11.759 -4.073 -5.984 1.00 4.10 H new ATOM 0 HB2 ASP A 723 11.127 -3.663 -3.060 1.00 72.13 H new ATOM 0 HB3 ASP A 723 12.681 -3.209 -3.731 1.00 72.13 H new ATOM 143 N ARG A 724 12.026 -6.710 -4.177 1.00 14.22 N ATOM 144 CA ARG A 724 12.889 -7.896 -3.934 1.00 20.04 C ATOM 145 C ARG A 724 13.707 -8.239 -5.162 1.00 21.33 C ATOM 146 O ARG A 724 14.879 -8.580 -5.065 1.00 52.44 O ATOM 147 CB ARG A 724 12.059 -9.120 -3.536 1.00 45.12 C ATOM 148 CG ARG A 724 11.439 -9.047 -2.170 1.00 52.43 C ATOM 149 CD ARG A 724 10.605 -10.280 -1.889 1.00 0.53 C ATOM 150 NE ARG A 724 9.962 -10.219 -0.580 1.00 73.04 N ATOM 151 CZ ARG A 724 8.825 -10.850 -0.266 1.00 30.20 C ATOM 152 NH1 ARG A 724 8.212 -11.617 -1.169 1.00 21.05 N ATOM 153 NH2 ARG A 724 8.313 -10.725 0.953 1.00 25.23 N ATOM 0 H ARG A 724 11.050 -6.841 -3.911 1.00 14.22 H new ATOM 0 HA ARG A 724 13.558 -7.634 -3.114 1.00 20.04 H new ATOM 0 HB2 ARG A 724 11.267 -9.258 -4.272 1.00 45.12 H new ATOM 0 HB3 ARG A 724 12.696 -10.003 -3.583 1.00 45.12 H new ATOM 0 HG2 ARG A 724 12.220 -8.952 -1.416 1.00 52.43 H new ATOM 0 HG3 ARG A 724 10.815 -8.156 -2.096 1.00 52.43 H new ATOM 0 HD2 ARG A 724 9.844 -10.387 -2.662 1.00 0.53 H new ATOM 0 HD3 ARG A 724 11.238 -11.166 -1.941 1.00 0.53 H new ATOM 0 HE ARG A 724 10.410 -9.657 0.144 1.00 73.04 H new ATOM 0 HH11 ARG A 724 8.610 -11.724 -2.102 1.00 21.05 H new ATOM 0 HH12 ARG A 724 7.345 -12.097 -0.926 1.00 21.05 H new ATOM 0 HH21 ARG A 724 8.787 -10.148 1.648 1.00 25.23 H new ATOM 0 HH22 ARG A 724 7.446 -11.206 1.194 1.00 25.23 H new ATOM 167 N LYS A 725 13.091 -8.142 -6.297 1.00 5.31 N ATOM 168 CA LYS A 725 13.726 -8.508 -7.520 1.00 75.13 C ATOM 169 C LYS A 725 14.676 -7.422 -8.014 1.00 64.44 C ATOM 170 O LYS A 725 15.845 -7.681 -8.246 1.00 42.45 O ATOM 171 CB LYS A 725 12.682 -8.894 -8.609 1.00 14.23 C ATOM 172 CG LYS A 725 11.852 -10.152 -8.267 1.00 42.45 C ATOM 173 CD LYS A 725 10.815 -9.868 -7.183 1.00 55.13 C ATOM 174 CE LYS A 725 10.486 -11.116 -6.369 1.00 73.25 C ATOM 175 NZ LYS A 725 9.838 -12.164 -7.169 1.00 53.53 N ATOM 0 H LYS A 725 12.133 -7.807 -6.401 1.00 5.31 H new ATOM 0 HA LYS A 725 14.330 -9.392 -7.317 1.00 75.13 H new ATOM 0 HB2 LYS A 725 12.004 -8.054 -8.761 1.00 14.23 H new ATOM 0 HB3 LYS A 725 13.201 -9.060 -9.553 1.00 14.23 H new ATOM 0 HG2 LYS A 725 11.350 -10.512 -9.165 1.00 42.45 H new ATOM 0 HG3 LYS A 725 12.518 -10.948 -7.934 1.00 42.45 H new ATOM 0 HD2 LYS A 725 11.189 -9.089 -6.518 1.00 55.13 H new ATOM 0 HD3 LYS A 725 9.904 -9.484 -7.643 1.00 55.13 H new ATOM 0 HE2 LYS A 725 11.403 -11.513 -5.934 1.00 73.25 H new ATOM 0 HE3 LYS A 725 9.833 -10.842 -5.540 1.00 73.25 H new ATOM 0 HZ1 LYS A 725 9.745 -13.029 -6.599 1.00 53.53 H new ATOM 0 HZ2 LYS A 725 8.895 -11.841 -7.465 1.00 53.53 H new ATOM 0 HZ3 LYS A 725 10.415 -12.365 -8.011 1.00 53.53 H new ATOM 189 N GLU A 726 14.176 -6.224 -8.170 1.00 52.34 N ATOM 190 CA GLU A 726 14.988 -5.145 -8.704 1.00 33.32 C ATOM 191 C GLU A 726 15.980 -4.592 -7.654 1.00 64.41 C ATOM 192 O GLU A 726 17.199 -4.689 -7.816 1.00 50.42 O ATOM 193 CB GLU A 726 14.104 -4.022 -9.231 1.00 13.21 C ATOM 194 CG GLU A 726 14.850 -2.985 -10.050 1.00 43.12 C ATOM 195 CD GLU A 726 15.476 -3.578 -11.286 1.00 30.44 C ATOM 196 OE1 GLU A 726 14.733 -3.914 -12.226 1.00 64.05 O ATOM 197 OE2 GLU A 726 16.723 -3.724 -11.323 1.00 10.33 O ATOM 0 H GLU A 726 13.217 -5.965 -7.939 1.00 52.34 H new ATOM 0 HA GLU A 726 15.573 -5.558 -9.526 1.00 33.32 H new ATOM 0 HB2 GLU A 726 13.312 -4.453 -9.843 1.00 13.21 H new ATOM 0 HB3 GLU A 726 13.622 -3.527 -8.388 1.00 13.21 H new ATOM 0 HG2 GLU A 726 14.163 -2.190 -10.339 1.00 43.12 H new ATOM 0 HG3 GLU A 726 15.626 -2.528 -9.435 1.00 43.12 H new ATOM 204 N PHE A 727 15.445 -4.045 -6.592 1.00 44.22 N ATOM 205 CA PHE A 727 16.240 -3.333 -5.613 1.00 23.31 C ATOM 206 C PHE A 727 16.957 -4.265 -4.645 1.00 13.53 C ATOM 207 O PHE A 727 18.157 -4.124 -4.416 1.00 41.31 O ATOM 208 CB PHE A 727 15.381 -2.336 -4.845 1.00 71.22 C ATOM 209 CG PHE A 727 16.133 -1.608 -3.779 1.00 55.10 C ATOM 210 CD1 PHE A 727 17.254 -0.861 -4.093 1.00 12.32 C ATOM 211 CD2 PHE A 727 15.725 -1.670 -2.468 1.00 3.24 C ATOM 212 CE1 PHE A 727 17.949 -0.194 -3.115 1.00 12.21 C ATOM 213 CE2 PHE A 727 16.415 -1.007 -1.485 1.00 52.44 C ATOM 214 CZ PHE A 727 17.529 -0.268 -1.806 1.00 61.44 C ATOM 0 H PHE A 727 14.448 -4.078 -6.378 1.00 44.22 H new ATOM 0 HA PHE A 727 17.009 -2.795 -6.168 1.00 23.31 H new ATOM 0 HB2 PHE A 727 14.963 -1.612 -5.545 1.00 71.22 H new ATOM 0 HB3 PHE A 727 14.541 -2.863 -4.392 1.00 71.22 H new ATOM 0 HD1 PHE A 727 17.586 -0.802 -5.119 1.00 12.32 H new ATOM 0 HD2 PHE A 727 14.850 -2.248 -2.208 1.00 3.24 H new ATOM 0 HE1 PHE A 727 18.823 0.387 -3.372 1.00 12.21 H new ATOM 0 HE2 PHE A 727 16.083 -1.066 -0.459 1.00 52.44 H new ATOM 0 HZ PHE A 727 18.074 0.253 -1.033 1.00 61.44 H new ATOM 224 N ALA A 728 16.228 -5.198 -4.080 1.00 31.53 N ATOM 225 CA ALA A 728 16.776 -6.085 -3.066 1.00 3.41 C ATOM 226 C ALA A 728 17.916 -6.884 -3.602 1.00 33.31 C ATOM 227 O ALA A 728 18.891 -7.059 -2.946 1.00 3.54 O ATOM 228 CB ALA A 728 15.725 -6.986 -2.526 1.00 11.34 C ATOM 0 H ALA A 728 15.247 -5.368 -4.303 1.00 31.53 H new ATOM 0 HA ALA A 728 17.151 -5.462 -2.254 1.00 3.41 H new ATOM 0 HB1 ALA A 728 16.160 -7.640 -1.770 1.00 11.34 H new ATOM 0 HB2 ALA A 728 14.930 -6.390 -2.077 1.00 11.34 H new ATOM 0 HB3 ALA A 728 15.313 -7.590 -3.334 1.00 11.34 H new ATOM 234 N LYS A 729 17.782 -7.355 -4.814 1.00 15.11 N ATOM 235 CA LYS A 729 18.847 -8.103 -5.453 1.00 13.30 C ATOM 236 C LYS A 729 20.100 -7.256 -5.652 1.00 62.14 C ATOM 237 O LYS A 729 21.206 -7.785 -5.718 1.00 71.11 O ATOM 238 CB LYS A 729 18.380 -8.685 -6.757 1.00 54.32 C ATOM 239 CG LYS A 729 17.507 -9.941 -6.633 1.00 22.43 C ATOM 240 CD LYS A 729 18.294 -11.141 -6.090 1.00 31.32 C ATOM 241 CE LYS A 729 18.203 -11.257 -4.569 1.00 40.12 C ATOM 242 NZ LYS A 729 18.888 -12.464 -4.073 1.00 4.21 N ATOM 0 H LYS A 729 16.945 -7.236 -5.385 1.00 15.11 H new ATOM 0 HA LYS A 729 19.115 -8.922 -4.785 1.00 13.30 H new ATOM 0 HB2 LYS A 729 17.818 -7.923 -7.297 1.00 54.32 H new ATOM 0 HB3 LYS A 729 19.253 -8.927 -7.363 1.00 54.32 H new ATOM 0 HG2 LYS A 729 16.665 -9.732 -5.974 1.00 22.43 H new ATOM 0 HG3 LYS A 729 17.093 -10.192 -7.610 1.00 22.43 H new ATOM 0 HD2 LYS A 729 17.915 -12.056 -6.545 1.00 31.32 H new ATOM 0 HD3 LYS A 729 19.340 -11.049 -6.383 1.00 31.32 H new ATOM 0 HE2 LYS A 729 18.645 -10.373 -4.109 1.00 40.12 H new ATOM 0 HE3 LYS A 729 17.156 -11.283 -4.268 1.00 40.12 H new ATOM 0 HZ1 LYS A 729 18.805 -12.509 -3.037 1.00 4.21 H new ATOM 0 HZ2 LYS A 729 18.450 -13.309 -4.492 1.00 4.21 H new ATOM 0 HZ3 LYS A 729 19.893 -12.427 -4.339 1.00 4.21 H new ATOM 256 N PHE A 730 19.926 -5.961 -5.735 1.00 15.15 N ATOM 257 CA PHE A 730 21.038 -5.061 -5.875 1.00 12.21 C ATOM 258 C PHE A 730 21.751 -4.927 -4.535 1.00 53.40 C ATOM 259 O PHE A 730 22.965 -5.087 -4.435 1.00 2.21 O ATOM 260 CB PHE A 730 20.533 -3.690 -6.314 1.00 35.12 C ATOM 261 CG PHE A 730 21.494 -2.920 -7.171 1.00 31.21 C ATOM 262 CD1 PHE A 730 22.547 -2.230 -6.606 1.00 2.13 C ATOM 263 CD2 PHE A 730 21.335 -2.885 -8.547 1.00 60.01 C ATOM 264 CE1 PHE A 730 23.428 -1.520 -7.396 1.00 2.14 C ATOM 265 CE2 PHE A 730 22.212 -2.176 -9.341 1.00 52.13 C ATOM 266 CZ PHE A 730 23.260 -1.493 -8.764 1.00 2.30 C ATOM 0 H PHE A 730 19.014 -5.505 -5.707 1.00 15.15 H new ATOM 0 HA PHE A 730 21.729 -5.452 -6.622 1.00 12.21 H new ATOM 0 HB2 PHE A 730 19.599 -3.819 -6.862 1.00 35.12 H new ATOM 0 HB3 PHE A 730 20.303 -3.100 -5.427 1.00 35.12 H new ATOM 0 HD1 PHE A 730 22.683 -2.246 -5.535 1.00 2.13 H new ATOM 0 HD2 PHE A 730 20.515 -3.419 -9.003 1.00 60.01 H new ATOM 0 HE1 PHE A 730 24.249 -0.985 -6.942 1.00 2.14 H new ATOM 0 HE2 PHE A 730 22.077 -2.156 -10.412 1.00 52.13 H new ATOM 0 HZ PHE A 730 23.949 -0.937 -9.383 1.00 2.30 H new ATOM 276 N GLU A 731 20.972 -4.645 -3.514 1.00 52.42 N ATOM 277 CA GLU A 731 21.479 -4.423 -2.177 1.00 40.13 C ATOM 278 C GLU A 731 21.963 -5.739 -1.512 1.00 11.23 C ATOM 279 O GLU A 731 22.864 -5.721 -0.684 1.00 11.30 O ATOM 280 CB GLU A 731 20.406 -3.726 -1.309 1.00 1.24 C ATOM 281 CG GLU A 731 19.222 -4.615 -0.919 1.00 61.45 C ATOM 282 CD GLU A 731 18.195 -3.896 -0.067 1.00 0.13 C ATOM 283 OE1 GLU A 731 18.586 -3.208 0.888 1.00 13.33 O ATOM 284 OE2 GLU A 731 16.977 -4.018 -0.353 1.00 50.11 O ATOM 0 H GLU A 731 19.958 -4.562 -3.589 1.00 52.42 H new ATOM 0 HA GLU A 731 22.348 -3.770 -2.255 1.00 40.13 H new ATOM 0 HB2 GLU A 731 20.879 -3.354 -0.400 1.00 1.24 H new ATOM 0 HB3 GLU A 731 20.029 -2.858 -1.850 1.00 1.24 H new ATOM 0 HG2 GLU A 731 18.740 -4.985 -1.824 1.00 61.45 H new ATOM 0 HG3 GLU A 731 19.592 -5.485 -0.376 1.00 61.45 H new ATOM 291 N GLU A 732 21.346 -6.872 -1.922 1.00 12.21 N ATOM 292 CA GLU A 732 21.554 -8.225 -1.304 1.00 32.13 C ATOM 293 C GLU A 732 23.012 -8.565 -1.013 1.00 44.14 C ATOM 294 O GLU A 732 23.308 -9.210 -0.005 1.00 61.11 O ATOM 295 CB GLU A 732 20.933 -9.304 -2.181 1.00 33.32 C ATOM 296 CG GLU A 732 19.645 -9.877 -1.630 1.00 24.05 C ATOM 297 CD GLU A 732 19.877 -10.759 -0.442 1.00 52.35 C ATOM 298 OE1 GLU A 732 19.967 -10.250 0.661 1.00 62.42 O ATOM 299 OE2 GLU A 732 19.976 -12.007 -0.630 1.00 14.44 O ATOM 0 H GLU A 732 20.682 -6.885 -2.696 1.00 12.21 H new ATOM 0 HA GLU A 732 21.056 -8.188 -0.335 1.00 32.13 H new ATOM 0 HB2 GLU A 732 20.740 -8.888 -3.170 1.00 33.32 H new ATOM 0 HB3 GLU A 732 21.653 -10.112 -2.310 1.00 33.32 H new ATOM 0 HG2 GLU A 732 18.978 -9.062 -1.350 1.00 24.05 H new ATOM 0 HG3 GLU A 732 19.141 -10.447 -2.410 1.00 24.05 H new ATOM 306 N GLU A 733 23.902 -8.157 -1.881 1.00 43.41 N ATOM 307 CA GLU A 733 25.337 -8.418 -1.686 1.00 30.34 C ATOM 308 C GLU A 733 25.835 -7.874 -0.334 1.00 4.34 C ATOM 309 O GLU A 733 26.446 -8.602 0.451 1.00 25.21 O ATOM 310 CB GLU A 733 26.152 -7.841 -2.829 1.00 34.41 C ATOM 311 CG GLU A 733 25.871 -8.503 -4.150 1.00 14.21 C ATOM 312 CD GLU A 733 26.749 -7.992 -5.260 1.00 52.53 C ATOM 313 OE1 GLU A 733 26.360 -7.016 -5.932 1.00 14.34 O ATOM 314 OE2 GLU A 733 27.833 -8.574 -5.480 1.00 70.04 O ATOM 0 H GLU A 733 23.677 -7.643 -2.733 1.00 43.41 H new ATOM 0 HA GLU A 733 25.473 -9.499 -1.677 1.00 30.34 H new ATOM 0 HB2 GLU A 733 25.944 -6.774 -2.913 1.00 34.41 H new ATOM 0 HB3 GLU A 733 27.212 -7.942 -2.598 1.00 34.41 H new ATOM 0 HG2 GLU A 733 26.012 -9.579 -4.049 1.00 14.21 H new ATOM 0 HG3 GLU A 733 24.826 -8.342 -4.416 1.00 14.21 H new ATOM 321 N ARG A 734 25.579 -6.612 -0.084 1.00 15.03 N ATOM 322 CA ARG A 734 25.926 -5.992 1.191 1.00 35.25 C ATOM 323 C ARG A 734 24.873 -6.315 2.254 1.00 21.03 C ATOM 324 O ARG A 734 25.197 -6.520 3.424 1.00 21.33 O ATOM 325 CB ARG A 734 26.079 -4.466 1.031 1.00 53.34 C ATOM 326 CG ARG A 734 26.339 -3.712 2.345 1.00 33.22 C ATOM 327 CD ARG A 734 27.625 -4.174 3.013 1.00 60.34 C ATOM 328 NE ARG A 734 27.829 -3.532 4.321 1.00 22.22 N ATOM 329 CZ ARG A 734 28.934 -3.671 5.072 1.00 12.35 C ATOM 330 NH1 ARG A 734 29.915 -4.455 4.668 1.00 61.03 N ATOM 331 NH2 ARG A 734 29.034 -3.035 6.233 1.00 21.04 N ATOM 0 H ARG A 734 25.128 -5.982 -0.748 1.00 15.03 H new ATOM 0 HA ARG A 734 26.882 -6.401 1.518 1.00 35.25 H new ATOM 0 HB2 ARG A 734 26.900 -4.266 0.343 1.00 53.34 H new ATOM 0 HB3 ARG A 734 25.174 -4.069 0.571 1.00 53.34 H new ATOM 0 HG2 ARG A 734 26.397 -2.642 2.145 1.00 33.22 H new ATOM 0 HG3 ARG A 734 25.501 -3.865 3.024 1.00 33.22 H new ATOM 0 HD2 ARG A 734 27.598 -5.256 3.141 1.00 60.34 H new ATOM 0 HD3 ARG A 734 28.471 -3.950 2.364 1.00 60.34 H new ATOM 0 HE ARG A 734 27.080 -2.941 4.682 1.00 22.22 H new ATOM 0 HH11 ARG A 734 29.835 -4.957 3.784 1.00 61.03 H new ATOM 0 HH12 ARG A 734 30.753 -4.559 5.240 1.00 61.03 H new ATOM 0 HH21 ARG A 734 28.271 -2.440 6.556 1.00 21.04 H new ATOM 0 HH22 ARG A 734 29.874 -3.142 6.802 1.00 21.04 H new ATOM 345 N ALA A 735 23.626 -6.365 1.828 1.00 50.52 N ATOM 346 CA ALA A 735 22.501 -6.594 2.719 1.00 45.14 C ATOM 347 C ALA A 735 22.634 -7.903 3.473 1.00 31.31 C ATOM 348 O ALA A 735 22.638 -7.920 4.692 1.00 4.01 O ATOM 349 CB ALA A 735 21.197 -6.550 1.948 1.00 42.51 C ATOM 0 H ALA A 735 23.362 -6.248 0.850 1.00 50.52 H new ATOM 0 HA ALA A 735 22.499 -5.793 3.458 1.00 45.14 H new ATOM 0 HB1 ALA A 735 20.365 -6.723 2.630 1.00 42.51 H new ATOM 0 HB2 ALA A 735 21.084 -5.572 1.479 1.00 42.51 H new ATOM 0 HB3 ALA A 735 21.203 -7.323 1.179 1.00 42.51 H new ATOM 355 N ARG A 736 22.769 -8.992 2.749 1.00 44.42 N ATOM 356 CA ARG A 736 22.875 -10.306 3.368 1.00 73.20 C ATOM 357 C ARG A 736 24.241 -10.481 4.039 1.00 2.14 C ATOM 358 O ARG A 736 24.435 -11.371 4.863 1.00 5.00 O ATOM 359 CB ARG A 736 22.657 -11.405 2.337 1.00 33.41 C ATOM 360 CG ARG A 736 22.464 -12.779 2.936 1.00 34.43 C ATOM 361 CD ARG A 736 22.421 -13.844 1.871 1.00 14.31 C ATOM 362 NE ARG A 736 22.109 -15.159 2.425 1.00 31.23 N ATOM 363 CZ ARG A 736 22.324 -16.313 1.802 1.00 65.11 C ATOM 364 NH1 ARG A 736 22.908 -16.329 0.610 1.00 70.31 N ATOM 365 NH2 ARG A 736 21.959 -17.456 2.380 1.00 30.24 N ATOM 0 H ARG A 736 22.809 -9.000 1.730 1.00 44.42 H new ATOM 0 HA ARG A 736 22.100 -10.382 4.130 1.00 73.20 H new ATOM 0 HB2 ARG A 736 21.783 -11.156 1.735 1.00 33.41 H new ATOM 0 HB3 ARG A 736 23.512 -11.431 1.662 1.00 33.41 H new ATOM 0 HG2 ARG A 736 23.276 -12.991 3.632 1.00 34.43 H new ATOM 0 HG3 ARG A 736 21.538 -12.800 3.511 1.00 34.43 H new ATOM 0 HD2 ARG A 736 21.674 -13.579 1.123 1.00 14.31 H new ATOM 0 HD3 ARG A 736 23.383 -13.885 1.360 1.00 14.31 H new ATOM 0 HE ARG A 736 21.696 -15.194 3.357 1.00 31.23 H new ATOM 0 HH11 ARG A 736 23.193 -15.454 0.170 1.00 70.31 H new ATOM 0 HH12 ARG A 736 23.072 -17.216 0.134 1.00 70.31 H new ATOM 0 HH21 ARG A 736 21.516 -17.444 3.299 1.00 30.24 H new ATOM 0 HH22 ARG A 736 22.123 -18.343 1.904 1.00 30.24 H new ATOM 379 N ALA A 737 25.169 -9.614 3.695 1.00 74.34 N ATOM 380 CA ALA A 737 26.519 -9.679 4.238 1.00 31.52 C ATOM 381 C ALA A 737 26.546 -9.257 5.706 1.00 41.42 C ATOM 382 O ALA A 737 27.507 -9.541 6.426 1.00 12.10 O ATOM 383 CB ALA A 737 27.439 -8.790 3.431 1.00 10.45 C ATOM 0 H ALA A 737 25.017 -8.849 3.038 1.00 74.34 H new ATOM 0 HA ALA A 737 26.861 -10.712 4.176 1.00 31.52 H new ATOM 0 HB1 ALA A 737 28.447 -8.842 3.841 1.00 10.45 H new ATOM 0 HB2 ALA A 737 27.451 -9.125 2.394 1.00 10.45 H new ATOM 0 HB3 ALA A 737 27.082 -7.761 3.476 1.00 10.45 H new ATOM 389 N LYS A 738 25.496 -8.593 6.137 1.00 30.03 N ATOM 390 CA LYS A 738 25.423 -8.027 7.470 1.00 12.33 C ATOM 391 C LYS A 738 24.082 -8.314 8.106 1.00 12.21 C ATOM 392 O LYS A 738 23.989 -8.593 9.294 1.00 34.42 O ATOM 393 CB LYS A 738 25.661 -6.512 7.397 1.00 40.32 C ATOM 394 CG LYS A 738 27.035 -6.127 6.909 1.00 13.53 C ATOM 395 CD LYS A 738 28.106 -6.638 7.839 1.00 63.14 C ATOM 396 CE LYS A 738 29.476 -6.430 7.256 1.00 73.21 C ATOM 397 NZ LYS A 738 30.532 -6.872 8.171 1.00 33.52 N ATOM 0 H LYS A 738 24.663 -8.429 5.571 1.00 30.03 H new ATOM 0 HA LYS A 738 26.194 -8.487 8.088 1.00 12.33 H new ATOM 0 HB2 LYS A 738 24.915 -6.069 6.736 1.00 40.32 H new ATOM 0 HB3 LYS A 738 25.505 -6.083 8.387 1.00 40.32 H new ATOM 0 HG2 LYS A 738 27.195 -6.530 5.909 1.00 13.53 H new ATOM 0 HG3 LYS A 738 27.105 -5.042 6.830 1.00 13.53 H new ATOM 0 HD2 LYS A 738 28.034 -6.125 8.798 1.00 63.14 H new ATOM 0 HD3 LYS A 738 27.947 -7.699 8.033 1.00 63.14 H new ATOM 0 HE2 LYS A 738 29.558 -6.977 6.316 1.00 73.21 H new ATOM 0 HE3 LYS A 738 29.615 -5.374 7.024 1.00 73.21 H new ATOM 0 HZ1 LYS A 738 31.461 -6.712 7.732 1.00 33.52 H new ATOM 0 HZ2 LYS A 738 30.471 -6.333 9.058 1.00 33.52 H new ATOM 0 HZ3 LYS A 738 30.415 -7.885 8.373 1.00 33.52 H new ATOM 411 N TRP A 739 23.053 -8.257 7.309 1.00 73.15 N ATOM 412 CA TRP A 739 21.695 -8.419 7.774 1.00 14.04 C ATOM 413 C TRP A 739 21.036 -9.514 7.008 1.00 24.53 C ATOM 414 O TRP A 739 19.922 -9.362 6.484 1.00 5.24 O ATOM 415 CB TRP A 739 20.940 -7.101 7.603 1.00 40.21 C ATOM 416 CG TRP A 739 21.661 -5.952 8.235 1.00 74.33 C ATOM 417 CD1 TRP A 739 22.767 -5.326 7.750 1.00 4.30 C ATOM 418 CD2 TRP A 739 21.337 -5.297 9.459 1.00 74.41 C ATOM 419 NE1 TRP A 739 23.185 -4.370 8.607 1.00 53.12 N ATOM 420 CE2 TRP A 739 22.311 -4.304 9.664 1.00 23.21 C ATOM 421 CE3 TRP A 739 20.324 -5.456 10.408 1.00 62.44 C ATOM 422 CZ2 TRP A 739 22.306 -3.471 10.777 1.00 23.34 C ATOM 423 CZ3 TRP A 739 20.315 -4.625 11.512 1.00 50.34 C ATOM 424 CH2 TRP A 739 21.299 -3.644 11.688 1.00 50.34 C ATOM 0 H TRP A 739 23.129 -8.095 6.305 1.00 73.15 H new ATOM 0 HA TRP A 739 21.691 -8.686 8.831 1.00 14.04 H new ATOM 0 HB2 TRP A 739 20.799 -6.900 6.541 1.00 40.21 H new ATOM 0 HB3 TRP A 739 19.948 -7.192 8.044 1.00 40.21 H new ATOM 0 HD1 TRP A 739 23.244 -5.561 6.810 1.00 4.30 H new ATOM 0 HE1 TRP A 739 24.016 -3.790 8.488 1.00 53.12 H new ATOM 0 HE3 TRP A 739 19.564 -6.213 10.281 1.00 62.44 H new ATOM 0 HZ2 TRP A 739 23.067 -2.717 10.917 1.00 23.34 H new ATOM 0 HZ3 TRP A 739 19.536 -4.734 12.252 1.00 50.34 H new ATOM 0 HH2 TRP A 739 21.263 -3.010 12.562 1.00 50.34 H new ATOM 435 N ASP A 740 21.729 -10.613 6.930 1.00 34.41 N ATOM 436 CA ASP A 740 21.270 -11.798 6.240 1.00 30.00 C ATOM 437 C ASP A 740 19.850 -12.206 6.654 1.00 31.20 C ATOM 438 O ASP A 740 19.028 -12.515 5.810 1.00 70.54 O ATOM 439 CB ASP A 740 22.253 -12.964 6.460 1.00 2.31 C ATOM 440 CG ASP A 740 22.349 -13.418 7.903 1.00 13.24 C ATOM 441 OD1 ASP A 740 23.079 -12.773 8.690 1.00 13.23 O ATOM 442 OD2 ASP A 740 21.705 -14.428 8.261 1.00 35.33 O ATOM 0 H ASP A 740 22.651 -10.719 7.352 1.00 34.41 H new ATOM 0 HA ASP A 740 21.234 -11.556 5.178 1.00 30.00 H new ATOM 0 HB2 ASP A 740 21.945 -13.808 5.843 1.00 2.31 H new ATOM 0 HB3 ASP A 740 23.243 -12.662 6.117 1.00 2.31 H new ATOM 447 N THR A 741 19.558 -12.155 7.939 1.00 2.14 N ATOM 448 CA THR A 741 18.265 -12.612 8.424 1.00 32.25 C ATOM 449 C THR A 741 17.186 -11.541 8.213 1.00 62.02 C ATOM 450 O THR A 741 15.980 -11.822 8.285 1.00 15.42 O ATOM 451 CB THR A 741 18.313 -13.060 9.935 1.00 53.54 C ATOM 452 OG1 THR A 741 17.076 -13.705 10.299 1.00 3.32 O ATOM 453 CG2 THR A 741 18.545 -11.872 10.853 1.00 1.35 C ATOM 0 H THR A 741 20.189 -11.806 8.661 1.00 2.14 H new ATOM 0 HA THR A 741 18.004 -13.491 7.835 1.00 32.25 H new ATOM 0 HB THR A 741 19.143 -13.758 10.050 1.00 53.54 H new ATOM 0 HG1 THR A 741 16.363 -13.409 9.696 1.00 3.32 H new ATOM 0 HG21 THR A 741 18.573 -12.212 11.888 1.00 1.35 H new ATOM 0 HG22 THR A 741 19.493 -11.397 10.601 1.00 1.35 H new ATOM 0 HG23 THR A 741 17.735 -11.153 10.729 1.00 1.35 H new ATOM 461 N ALA A 742 17.619 -10.335 7.934 1.00 11.45 N ATOM 462 CA ALA A 742 16.713 -9.237 7.742 1.00 74.31 C ATOM 463 C ALA A 742 16.221 -9.190 6.307 1.00 64.22 C ATOM 464 O ALA A 742 15.096 -8.773 6.036 1.00 0.42 O ATOM 465 CB ALA A 742 17.385 -7.930 8.118 1.00 20.24 C ATOM 0 H ALA A 742 18.605 -10.092 7.835 1.00 11.45 H new ATOM 0 HA ALA A 742 15.850 -9.385 8.391 1.00 74.31 H new ATOM 0 HB1 ALA A 742 16.688 -7.106 7.968 1.00 20.24 H new ATOM 0 HB2 ALA A 742 17.687 -7.964 9.165 1.00 20.24 H new ATOM 0 HB3 ALA A 742 18.264 -7.780 7.492 1.00 20.24 H new ATOM 471 N ASN A 743 17.056 -9.628 5.396 1.00 72.22 N ATOM 472 CA ASN A 743 16.722 -9.588 3.979 1.00 3.55 C ATOM 473 C ASN A 743 16.308 -10.941 3.479 1.00 53.30 C ATOM 474 O ASN A 743 15.417 -11.056 2.644 1.00 22.13 O ATOM 475 CB ASN A 743 17.898 -9.070 3.162 1.00 32.15 C ATOM 476 CG ASN A 743 18.289 -7.669 3.540 1.00 31.11 C ATOM 477 OD1 ASN A 743 17.766 -6.703 3.002 1.00 62.32 O ATOM 478 ND2 ASN A 743 19.198 -7.546 4.467 1.00 71.50 N ATOM 0 H ASN A 743 17.975 -10.018 5.604 1.00 72.22 H new ATOM 0 HA ASN A 743 15.881 -8.905 3.859 1.00 3.55 H new ATOM 0 HB2 ASN A 743 18.753 -9.732 3.301 1.00 32.15 H new ATOM 0 HB3 ASN A 743 17.641 -9.099 2.103 1.00 32.15 H new ATOM 0 HD21 ASN A 743 19.497 -6.618 4.768 1.00 71.50 H new ATOM 0 HD22 ASN A 743 19.610 -8.377 4.891 1.00 71.50 H new ATOM 485 N ASN A 744 16.935 -11.961 3.983 1.00 2.01 N ATOM 486 CA ASN A 744 16.635 -13.311 3.563 1.00 53.31 C ATOM 487 C ASN A 744 15.721 -13.975 4.538 1.00 72.22 C ATOM 488 O ASN A 744 15.985 -13.978 5.742 1.00 52.22 O ATOM 489 CB ASN A 744 17.921 -14.147 3.415 1.00 11.21 C ATOM 490 CG ASN A 744 18.703 -13.849 2.153 1.00 12.02 C ATOM 491 OD1 ASN A 744 19.327 -14.726 1.582 1.00 54.13 O ATOM 492 ND2 ASN A 744 18.677 -12.636 1.727 1.00 24.01 N ATOM 0 H ASN A 744 17.665 -11.890 4.692 1.00 2.01 H new ATOM 0 HA ASN A 744 16.143 -13.250 2.592 1.00 53.31 H new ATOM 0 HB2 ASN A 744 18.561 -13.967 4.279 1.00 11.21 H new ATOM 0 HB3 ASN A 744 17.659 -15.205 3.427 1.00 11.21 H new ATOM 0 HD21 ASN A 744 19.190 -12.381 0.884 1.00 24.01 H new ATOM 0 HD22 ASN A 744 18.143 -11.929 2.233 1.00 24.01 H new ATOM 499 N PRO A 745 14.620 -14.544 4.053 1.00 1.41 N ATOM 500 CA PRO A 745 13.717 -15.310 4.889 1.00 31.31 C ATOM 501 C PRO A 745 14.262 -16.718 5.119 1.00 53.30 C ATOM 502 O PRO A 745 13.770 -17.458 5.972 1.00 2.32 O ATOM 503 CB PRO A 745 12.429 -15.360 4.062 1.00 33.53 C ATOM 504 CG PRO A 745 12.887 -15.293 2.640 1.00 42.22 C ATOM 505 CD PRO A 745 14.151 -14.464 2.641 1.00 3.43 C ATOM 0 HA PRO A 745 13.575 -14.874 5.878 1.00 31.31 H new ATOM 0 HB2 PRO A 745 11.870 -16.276 4.255 1.00 33.53 H new ATOM 0 HB3 PRO A 745 11.770 -14.527 4.305 1.00 33.53 H new ATOM 0 HG2 PRO A 745 13.077 -16.291 2.245 1.00 42.22 H new ATOM 0 HG3 PRO A 745 12.125 -14.839 2.007 1.00 42.22 H new ATOM 0 HD2 PRO A 745 14.893 -14.863 1.949 1.00 3.43 H new ATOM 0 HD3 PRO A 745 13.956 -13.434 2.341 1.00 3.43 H new ATOM 513 N LEU A 746 15.308 -17.061 4.347 1.00 72.13 N ATOM 514 CA LEU A 746 15.943 -18.367 4.389 1.00 60.25 C ATOM 515 C LEU A 746 17.056 -18.421 3.359 1.00 44.44 C ATOM 516 O LEU A 746 18.132 -18.980 3.605 1.00 2.42 O ATOM 517 CB LEU A 746 14.911 -19.474 4.089 1.00 61.40 C ATOM 518 CG LEU A 746 15.429 -20.917 4.119 1.00 34.13 C ATOM 519 CD1 LEU A 746 15.973 -21.261 5.489 1.00 12.25 C ATOM 520 CD2 LEU A 746 14.330 -21.889 3.721 1.00 32.24 C ATOM 0 H LEU A 746 15.732 -16.424 3.673 1.00 72.13 H new ATOM 0 HA LEU A 746 16.354 -18.528 5.385 1.00 60.25 H new ATOM 0 HB2 LEU A 746 14.099 -19.388 4.810 1.00 61.40 H new ATOM 0 HB3 LEU A 746 14.484 -19.285 3.104 1.00 61.40 H new ATOM 0 HG LEU A 746 16.241 -21.003 3.397 1.00 34.13 H new ATOM 0 HD11 LEU A 746 16.335 -22.289 5.489 1.00 12.25 H new ATOM 0 HD12 LEU A 746 16.794 -20.587 5.734 1.00 12.25 H new ATOM 0 HD13 LEU A 746 15.182 -21.155 6.232 1.00 12.25 H new ATOM 0 HD21 LEU A 746 14.717 -22.907 3.748 1.00 32.24 H new ATOM 0 HD22 LEU A 746 13.496 -21.799 4.417 1.00 32.24 H new ATOM 0 HD23 LEU A 746 13.988 -21.658 2.712 1.00 32.24 H new HETATM 532 N PTR A 747 16.787 -17.828 2.203 1.00 12.33 N HETATM 533 CA PTR A 747 17.713 -17.835 1.082 1.00 33.13 C HETATM 534 C PTR A 747 17.181 -16.969 0.012 1.00 61.50 C HETATM 535 O PTR A 747 17.769 -15.972 -0.362 1.00 63.15 O HETATM 536 CB PTR A 747 17.811 -19.265 0.536 1.00 2.53 C HETATM 537 CG PTR A 747 18.710 -19.465 -0.670 1.00 33.52 C HETATM 538 CD1 PTR A 747 18.372 -20.394 -1.639 1.00 61.24 C HETATM 539 CD2 PTR A 747 19.878 -18.735 -0.840 1.00 12.22 C HETATM 540 CE1 PTR A 747 19.157 -20.592 -2.741 1.00 20.23 C HETATM 541 CE2 PTR A 747 20.676 -18.928 -1.951 1.00 24.12 C HETATM 542 CZ PTR A 747 20.307 -19.863 -2.901 1.00 53.24 C HETATM 543 OH PTR A 747 21.113 -20.067 -4.036 1.00 35.16 O HETATM 544 P PTR A 747 20.562 -20.297 -5.494 1.00 35.16 P HETATM 545 O1P PTR A 747 19.350 -19.396 -5.716 1.00 35.16 O HETATM 546 O2P PTR A 747 21.667 -19.823 -6.493 1.00 35.16 O HETATM 547 O3P PTR A 747 20.321 -21.716 -5.492 1.00 35.16 O HETATM 0 HE2 PTR A 747 21.590 -18.348 -2.078 1.00 24.12 H new HETATM 0 HE1 PTR A 747 18.869 -21.328 -3.491 1.00 20.23 H new HETATM 0 HD2 PTR A 747 20.169 -18.001 -0.088 1.00 12.22 H new HETATM 0 HD1 PTR A 747 17.461 -20.980 -1.521 1.00 61.24 H new HETATM 0 HB3 PTR A 747 18.165 -19.914 1.337 1.00 2.53 H new HETATM 0 HB2 PTR A 747 16.808 -19.600 0.274 1.00 2.53 H new HETATM 0 HA PTR A 747 18.690 -17.478 1.407 1.00 33.13 H new HETATM 0 H PTR A 747 15.931 -17.276 2.154 1.00 12.33 H new ATOM 556 N LYS A 748 16.064 -17.344 -0.459 1.00 51.11 N ATOM 557 CA LYS A 748 15.470 -16.753 -1.576 1.00 71.54 C ATOM 558 C LYS A 748 13.997 -16.588 -1.325 1.00 43.41 C ATOM 559 O LYS A 748 13.514 -16.932 -0.253 1.00 25.14 O ATOM 560 CB LYS A 748 15.688 -17.663 -2.782 1.00 12.55 C ATOM 561 CG LYS A 748 17.118 -17.713 -3.315 1.00 1.22 C ATOM 562 CD LYS A 748 17.715 -16.338 -3.432 1.00 33.33 C ATOM 563 CE LYS A 748 19.077 -16.372 -4.100 1.00 22.41 C ATOM 564 NZ LYS A 748 19.004 -16.896 -5.479 1.00 33.33 N ATOM 0 H LYS A 748 15.516 -18.105 -0.058 1.00 51.11 H new ATOM 0 HA LYS A 748 15.912 -15.775 -1.766 1.00 71.54 H new ATOM 0 HB2 LYS A 748 15.383 -18.674 -2.512 1.00 12.55 H new ATOM 0 HB3 LYS A 748 15.030 -17.335 -3.587 1.00 12.55 H new ATOM 0 HG2 LYS A 748 17.733 -18.322 -2.652 1.00 1.22 H new ATOM 0 HG3 LYS A 748 17.126 -18.198 -4.291 1.00 1.22 H new ATOM 0 HD2 LYS A 748 17.044 -15.698 -4.005 1.00 33.33 H new ATOM 0 HD3 LYS A 748 17.807 -15.896 -2.440 1.00 33.33 H new ATOM 0 HE2 LYS A 748 19.498 -15.367 -4.116 1.00 22.41 H new ATOM 0 HE3 LYS A 748 19.754 -16.992 -3.512 1.00 22.41 H new ATOM 0 HZ1 LYS A 748 19.926 -16.777 -5.945 1.00 33.33 H new ATOM 0 HZ2 LYS A 748 18.757 -17.906 -5.454 1.00 33.33 H new ATOM 0 HZ3 LYS A 748 18.278 -16.375 -6.010 1.00 33.33 H new ATOM 578 N GLU A 749 13.283 -16.081 -2.296 1.00 2.41 N ATOM 579 CA GLU A 749 11.850 -15.920 -2.168 1.00 70.32 C ATOM 580 C GLU A 749 11.133 -17.229 -2.473 1.00 22.33 C ATOM 581 O GLU A 749 10.073 -17.510 -1.924 1.00 43.22 O ATOM 582 CB GLU A 749 11.332 -14.814 -3.096 1.00 71.03 C ATOM 583 CG GLU A 749 9.818 -14.635 -3.038 1.00 64.21 C ATOM 584 CD GLU A 749 9.302 -13.635 -4.021 1.00 1.14 C ATOM 585 OE1 GLU A 749 9.261 -13.955 -5.238 1.00 11.21 O ATOM 586 OE2 GLU A 749 8.914 -12.525 -3.598 1.00 51.30 O ATOM 0 H GLU A 749 13.668 -15.770 -3.188 1.00 2.41 H new ATOM 0 HA GLU A 749 11.641 -15.632 -1.138 1.00 70.32 H new ATOM 0 HB2 GLU A 749 11.812 -13.872 -2.830 1.00 71.03 H new ATOM 0 HB3 GLU A 749 11.624 -15.043 -4.121 1.00 71.03 H new ATOM 0 HG2 GLU A 749 9.338 -15.596 -3.223 1.00 64.21 H new ATOM 0 HG3 GLU A 749 9.534 -14.325 -2.032 1.00 64.21 H new ATOM 593 N ALA A 750 11.710 -18.015 -3.341 1.00 34.44 N ATOM 594 CA ALA A 750 11.112 -19.275 -3.743 1.00 65.53 C ATOM 595 C ALA A 750 11.714 -20.459 -2.998 1.00 45.33 C ATOM 596 O ALA A 750 11.262 -21.584 -3.161 1.00 70.04 O ATOM 597 CB ALA A 750 11.206 -19.472 -5.239 1.00 24.53 C ATOM 0 H ALA A 750 12.602 -17.809 -3.791 1.00 34.44 H new ATOM 0 HA ALA A 750 10.057 -19.227 -3.472 1.00 65.53 H new ATOM 0 HB1 ALA A 750 10.750 -20.424 -5.510 1.00 24.53 H new ATOM 0 HB2 ALA A 750 10.683 -18.662 -5.746 1.00 24.53 H new ATOM 0 HB3 ALA A 750 12.253 -19.473 -5.541 1.00 24.53 H new ATOM 603 N THR A 751 12.747 -20.203 -2.195 1.00 63.40 N ATOM 604 CA THR A 751 13.479 -21.280 -1.504 1.00 53.34 C ATOM 605 C THR A 751 12.541 -22.153 -0.603 1.00 61.32 C ATOM 606 O THR A 751 12.733 -23.354 -0.489 1.00 44.44 O ATOM 607 CB THR A 751 14.690 -20.732 -0.666 1.00 35.14 C ATOM 608 OG1 THR A 751 15.535 -21.814 -0.230 1.00 71.00 O ATOM 609 CG2 THR A 751 14.211 -19.954 0.548 1.00 11.42 C ATOM 0 H THR A 751 13.099 -19.265 -2.003 1.00 63.40 H new ATOM 0 HA THR A 751 13.878 -21.921 -2.290 1.00 53.34 H new ATOM 0 HB THR A 751 15.258 -20.063 -1.313 1.00 35.14 H new ATOM 0 HG1 THR A 751 15.961 -21.575 0.620 1.00 71.00 H new ATOM 0 HG21 THR A 751 15.071 -19.587 1.108 1.00 11.42 H new ATOM 0 HG22 THR A 751 13.603 -19.110 0.223 1.00 11.42 H new ATOM 0 HG23 THR A 751 13.614 -20.606 1.186 1.00 11.42 H new ATOM 617 N SER A 752 11.547 -21.532 0.007 1.00 52.32 N ATOM 618 CA SER A 752 10.595 -22.257 0.824 1.00 2.14 C ATOM 619 C SER A 752 9.292 -22.496 0.035 1.00 32.44 C ATOM 620 O SER A 752 8.349 -23.111 0.532 1.00 12.21 O ATOM 621 CB SER A 752 10.311 -21.483 2.129 1.00 74.53 C ATOM 622 OG SER A 752 9.592 -22.282 3.069 1.00 54.10 O ATOM 0 H SER A 752 11.380 -20.527 -0.049 1.00 52.32 H new ATOM 0 HA SER A 752 11.020 -23.225 1.087 1.00 2.14 H new ATOM 0 HB2 SER A 752 11.252 -21.158 2.572 1.00 74.53 H new ATOM 0 HB3 SER A 752 9.738 -20.584 1.902 1.00 74.53 H new ATOM 0 HG SER A 752 9.027 -22.923 2.589 1.00 54.10 H new ATOM 628 N THR A 753 9.265 -22.017 -1.181 1.00 33.30 N ATOM 629 CA THR A 753 8.126 -22.176 -2.036 1.00 54.21 C ATOM 630 C THR A 753 8.270 -23.461 -2.855 1.00 34.22 C ATOM 631 O THR A 753 7.345 -24.285 -2.921 1.00 63.12 O ATOM 632 CB THR A 753 7.997 -20.974 -2.986 1.00 71.33 C ATOM 633 OG1 THR A 753 8.160 -19.763 -2.232 1.00 35.25 O ATOM 634 CG2 THR A 753 6.638 -20.958 -3.662 1.00 3.02 C ATOM 0 H THR A 753 10.038 -21.504 -1.605 1.00 33.30 H new ATOM 0 HA THR A 753 7.231 -22.235 -1.417 1.00 54.21 H new ATOM 0 HB THR A 753 8.766 -21.054 -3.755 1.00 71.33 H new ATOM 0 HG1 THR A 753 7.924 -18.994 -2.793 1.00 35.25 H new ATOM 0 HG21 THR A 753 6.573 -20.098 -4.328 1.00 3.02 H new ATOM 0 HG22 THR A 753 6.507 -21.874 -4.238 1.00 3.02 H new ATOM 0 HG23 THR A 753 5.856 -20.891 -2.906 1.00 3.02 H new ATOM 642 N PHE A 754 9.428 -23.632 -3.451 1.00 35.05 N ATOM 643 CA PHE A 754 9.734 -24.813 -4.227 1.00 14.14 C ATOM 644 C PHE A 754 11.026 -25.421 -3.717 1.00 60.41 C ATOM 645 O PHE A 754 11.638 -24.891 -2.780 1.00 42.54 O ATOM 646 CB PHE A 754 9.877 -24.463 -5.713 1.00 4.42 C ATOM 647 CG PHE A 754 8.690 -23.757 -6.301 1.00 2.44 C ATOM 648 CD1 PHE A 754 7.479 -24.410 -6.444 1.00 75.21 C ATOM 649 CD2 PHE A 754 8.789 -22.439 -6.714 1.00 51.31 C ATOM 650 CE1 PHE A 754 6.389 -23.764 -6.987 1.00 42.35 C ATOM 651 CE2 PHE A 754 7.703 -21.786 -7.258 1.00 53.21 C ATOM 652 CZ PHE A 754 6.501 -22.448 -7.395 1.00 35.22 C ATOM 0 H PHE A 754 10.188 -22.953 -3.411 1.00 35.05 H new ATOM 0 HA PHE A 754 8.919 -25.529 -4.120 1.00 14.14 H new ATOM 0 HB2 PHE A 754 10.759 -23.835 -5.843 1.00 4.42 H new ATOM 0 HB3 PHE A 754 10.054 -25.380 -6.274 1.00 4.42 H new ATOM 0 HD1 PHE A 754 7.386 -25.438 -6.126 1.00 75.21 H new ATOM 0 HD2 PHE A 754 9.728 -21.916 -6.609 1.00 51.31 H new ATOM 0 HE1 PHE A 754 5.449 -24.285 -7.093 1.00 42.35 H new ATOM 0 HE2 PHE A 754 7.794 -20.758 -7.576 1.00 53.21 H new ATOM 0 HZ PHE A 754 5.649 -21.939 -7.820 1.00 35.22 H new ATOM 662 N THR A 755 11.451 -26.503 -4.318 1.00 31.13 N ATOM 663 CA THR A 755 12.654 -27.164 -3.881 1.00 61.23 C ATOM 664 C THR A 755 13.912 -26.624 -4.605 1.00 2.32 C ATOM 665 O THR A 755 14.902 -26.260 -3.953 1.00 42.34 O ATOM 666 CB THR A 755 12.558 -28.738 -4.011 1.00 70.33 C ATOM 667 OG1 THR A 755 13.770 -29.359 -3.527 1.00 71.34 O ATOM 668 CG2 THR A 755 12.297 -29.175 -5.456 1.00 43.35 C ATOM 0 H THR A 755 10.983 -26.944 -5.110 1.00 31.13 H new ATOM 0 HA THR A 755 12.758 -26.931 -2.821 1.00 61.23 H new ATOM 0 HB THR A 755 11.714 -29.062 -3.402 1.00 70.33 H new ATOM 0 HG1 THR A 755 14.513 -29.139 -4.128 1.00 71.34 H new ATOM 0 HG21 THR A 755 12.238 -30.262 -5.502 1.00 43.35 H new ATOM 0 HG22 THR A 755 11.357 -28.745 -5.802 1.00 43.35 H new ATOM 0 HG23 THR A 755 13.110 -28.828 -6.093 1.00 43.35 H new ATOM 676 N ASN A 756 13.858 -26.554 -5.936 1.00 50.04 N ATOM 677 CA ASN A 756 15.017 -26.150 -6.750 1.00 45.04 C ATOM 678 C ASN A 756 14.557 -25.605 -8.077 1.00 52.21 C ATOM 679 O ASN A 756 14.138 -26.357 -8.945 1.00 43.31 O ATOM 680 CB ASN A 756 15.986 -27.361 -6.996 1.00 22.31 C ATOM 681 CG ASN A 756 16.745 -27.804 -5.747 1.00 51.54 C ATOM 682 OD1 ASN A 756 16.270 -28.653 -4.979 1.00 61.41 O ATOM 683 ND2 ASN A 756 17.914 -27.248 -5.546 1.00 10.50 N ATOM 0 H ASN A 756 13.023 -26.772 -6.480 1.00 50.04 H new ATOM 0 HA ASN A 756 15.555 -25.377 -6.202 1.00 45.04 H new ATOM 0 HB2 ASN A 756 15.410 -28.204 -7.378 1.00 22.31 H new ATOM 0 HB3 ASN A 756 16.704 -27.089 -7.769 1.00 22.31 H new ATOM 0 HD21 ASN A 756 18.470 -27.510 -4.732 1.00 10.50 H new ATOM 0 HD22 ASN A 756 18.268 -26.553 -6.203 1.00 10.50 H new ATOM 690 N ILE A 757 14.627 -24.311 -8.235 1.00 41.42 N ATOM 691 CA ILE A 757 14.189 -23.673 -9.467 1.00 71.34 C ATOM 692 C ILE A 757 15.382 -23.011 -10.151 1.00 42.20 C ATOM 693 O ILE A 757 16.409 -22.777 -9.515 1.00 30.41 O ATOM 694 CB ILE A 757 13.071 -22.571 -9.225 1.00 45.04 C ATOM 695 CG1 ILE A 757 12.152 -22.916 -8.034 1.00 3.42 C ATOM 696 CG2 ILE A 757 12.236 -22.392 -10.472 1.00 51.14 C ATOM 697 CD1 ILE A 757 12.731 -22.588 -6.669 1.00 24.34 C ATOM 0 H ILE A 757 14.983 -23.667 -7.528 1.00 41.42 H new ATOM 0 HA ILE A 757 13.759 -24.455 -10.093 1.00 71.34 H new ATOM 0 HB ILE A 757 13.588 -21.642 -8.986 1.00 45.04 H new ATOM 0 HG12 ILE A 757 11.210 -22.380 -8.152 1.00 3.42 H new ATOM 0 HG13 ILE A 757 11.920 -23.980 -8.069 1.00 3.42 H new ATOM 0 HG21 ILE A 757 11.473 -21.634 -10.293 1.00 51.14 H new ATOM 0 HG22 ILE A 757 12.876 -22.076 -11.296 1.00 51.14 H new ATOM 0 HG23 ILE A 757 11.756 -23.337 -10.727 1.00 51.14 H new ATOM 0 HD11 ILE A 757 12.016 -22.864 -5.894 1.00 24.34 H new ATOM 0 HD12 ILE A 757 13.657 -23.144 -6.523 1.00 24.34 H new ATOM 0 HD13 ILE A 757 12.937 -21.519 -6.608 1.00 24.34 H new ATOM 709 N THR A 758 15.247 -22.715 -11.425 1.00 33.11 N ATOM 710 CA THR A 758 16.313 -22.096 -12.178 1.00 0.41 C ATOM 711 C THR A 758 16.624 -20.660 -11.663 1.00 1.10 C ATOM 712 O THR A 758 17.783 -20.252 -11.612 1.00 23.14 O ATOM 713 CB THR A 758 16.006 -22.084 -13.717 1.00 62.04 C ATOM 714 OG1 THR A 758 17.178 -21.689 -14.451 1.00 52.55 O ATOM 715 CG2 THR A 758 14.854 -21.140 -14.055 1.00 3.45 C ATOM 0 H THR A 758 14.400 -22.896 -11.965 1.00 33.11 H new ATOM 0 HA THR A 758 17.204 -22.705 -12.022 1.00 0.41 H new ATOM 0 HB THR A 758 15.713 -23.095 -14.001 1.00 62.04 H new ATOM 0 HG1 THR A 758 16.978 -21.686 -15.410 1.00 52.55 H new ATOM 0 HG21 THR A 758 14.671 -21.159 -15.129 1.00 3.45 H new ATOM 0 HG22 THR A 758 13.955 -21.460 -13.528 1.00 3.45 H new ATOM 0 HG23 THR A 758 15.112 -20.126 -13.749 1.00 3.45 H new ATOM 723 N TYR A 759 15.589 -19.922 -11.274 1.00 42.11 N ATOM 724 CA TYR A 759 15.776 -18.582 -10.734 1.00 73.54 C ATOM 725 C TYR A 759 15.674 -18.609 -9.234 1.00 20.14 C ATOM 726 O TYR A 759 16.292 -17.794 -8.536 1.00 42.14 O ATOM 727 CB TYR A 759 14.758 -17.607 -11.322 1.00 71.31 C ATOM 728 CG TYR A 759 14.831 -17.469 -12.832 1.00 33.21 C ATOM 729 CD1 TYR A 759 16.016 -17.107 -13.461 1.00 72.22 C ATOM 730 CD2 TYR A 759 13.715 -17.704 -13.625 1.00 30.13 C ATOM 731 CE1 TYR A 759 16.085 -16.985 -14.836 1.00 65.54 C ATOM 732 CE2 TYR A 759 13.777 -17.585 -14.998 1.00 24.20 C ATOM 733 CZ TYR A 759 14.961 -17.225 -15.599 1.00 33.22 C ATOM 734 OH TYR A 759 15.026 -17.108 -16.977 1.00 4.23 O ATOM 0 H TYR A 759 14.617 -20.228 -11.323 1.00 42.11 H new ATOM 0 HA TYR A 759 16.771 -18.237 -11.013 1.00 73.54 H new ATOM 0 HB2 TYR A 759 13.756 -17.935 -11.046 1.00 71.31 H new ATOM 0 HB3 TYR A 759 14.908 -16.626 -10.871 1.00 71.31 H new ATOM 0 HD1 TYR A 759 16.897 -16.918 -12.866 1.00 72.22 H new ATOM 0 HD2 TYR A 759 12.782 -17.985 -13.158 1.00 30.13 H new ATOM 0 HE1 TYR A 759 17.013 -16.703 -15.310 1.00 65.54 H new ATOM 0 HE2 TYR A 759 12.900 -17.774 -15.599 1.00 24.20 H new ATOM 0 HH TYR A 759 14.149 -17.312 -17.364 1.00 4.23 H new ATOM 744 N ARG A 760 14.872 -19.551 -8.741 1.00 45.14 N ATOM 745 CA ARG A 760 14.698 -19.806 -7.323 1.00 14.23 C ATOM 746 C ARG A 760 14.184 -18.572 -6.587 1.00 70.51 C ATOM 747 O ARG A 760 14.434 -18.392 -5.407 1.00 64.02 O ATOM 748 CB ARG A 760 15.998 -20.312 -6.715 1.00 21.01 C ATOM 749 CG ARG A 760 15.811 -21.279 -5.576 1.00 11.04 C ATOM 750 CD ARG A 760 17.109 -21.928 -5.216 1.00 54.32 C ATOM 751 NE ARG A 760 16.918 -23.114 -4.380 1.00 3.30 N ATOM 752 CZ ARG A 760 17.912 -23.910 -3.960 1.00 44.41 C ATOM 753 NH1 ARG A 760 19.180 -23.589 -4.205 1.00 55.32 N ATOM 754 NH2 ARG A 760 17.633 -25.016 -3.289 1.00 62.24 N ATOM 0 H ARG A 760 14.316 -20.168 -9.333 1.00 45.14 H new ATOM 0 HA ARG A 760 13.940 -20.581 -7.210 1.00 14.23 H new ATOM 0 HB2 ARG A 760 16.587 -20.796 -7.495 1.00 21.01 H new ATOM 0 HB3 ARG A 760 16.577 -19.459 -6.361 1.00 21.01 H new ATOM 0 HG2 ARG A 760 15.408 -20.755 -4.709 1.00 11.04 H new ATOM 0 HG3 ARG A 760 15.083 -22.041 -5.855 1.00 11.04 H new ATOM 0 HD2 ARG A 760 17.639 -22.208 -6.127 1.00 54.32 H new ATOM 0 HD3 ARG A 760 17.739 -21.211 -4.689 1.00 54.32 H new ATOM 0 HE ARG A 760 15.967 -23.351 -4.098 1.00 3.30 H new ATOM 0 HH11 ARG A 760 19.400 -22.733 -4.715 1.00 55.32 H new ATOM 0 HH12 ARG A 760 19.932 -24.199 -3.883 1.00 55.32 H new ATOM 0 HH21 ARG A 760 16.663 -25.262 -3.092 1.00 62.24 H new ATOM 0 HH22 ARG A 760 18.388 -25.622 -2.969 1.00 62.24 H new ATOM 768 N GLY A 761 13.432 -17.768 -7.278 1.00 14.43 N ATOM 769 CA GLY A 761 12.921 -16.559 -6.682 1.00 31.33 C ATOM 770 C GLY A 761 12.650 -15.478 -7.684 1.00 21.22 C ATOM 771 O GLY A 761 12.696 -14.288 -7.352 1.00 0.31 O ATOM 0 H GLY A 761 13.157 -17.921 -8.248 1.00 14.43 H new ATOM 0 HA2 GLY A 761 12.000 -16.787 -6.145 1.00 31.33 H new ATOM 0 HA3 GLY A 761 13.637 -16.193 -5.946 1.00 31.33 H new ATOM 775 N THR A 762 12.382 -15.871 -8.902 1.00 65.10 N ATOM 776 CA THR A 762 12.032 -14.938 -9.932 1.00 20.55 C ATOM 777 C THR A 762 10.724 -14.193 -9.571 1.00 31.21 C ATOM 778 O THR A 762 9.688 -14.861 -9.328 1.00 51.42 O ATOM 779 CB THR A 762 11.910 -15.641 -11.325 1.00 71.10 C ATOM 780 OG1 THR A 762 11.458 -14.718 -12.324 1.00 50.54 O ATOM 781 CG2 THR A 762 10.977 -16.831 -11.258 1.00 3.15 C ATOM 782 OXT THR A 762 10.747 -12.957 -9.516 1.00 35.16 O ATOM 0 H THR A 762 12.401 -16.845 -9.204 1.00 65.10 H new ATOM 0 HA THR A 762 12.836 -14.205 -10.005 1.00 20.55 H new ATOM 0 HB THR A 762 12.902 -15.998 -11.601 1.00 71.10 H new ATOM 0 HG1 THR A 762 11.390 -15.177 -13.187 1.00 50.54 H new ATOM 0 HG21 THR A 762 10.913 -17.299 -12.240 1.00 3.15 H new ATOM 0 HG22 THR A 762 11.360 -17.553 -10.537 1.00 3.15 H new ATOM 0 HG23 THR A 762 9.986 -16.499 -10.948 1.00 3.15 H new TER 790 THR A 762