USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 389 hydrogens (16 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 747 PTR HN2 : A 747 PTR N : A 746 LEU C :(H bumps) USER MOD NoAdj-H: A 759 PTR HN2 : A 759 PTR N : A 758 THR C :(H bumps) USER MOD NoAdj-H: A 759 PTR H : A 759 PTR N : A 758 THR C :(H bumps) USER MOD Single : A 716 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0172) USER MOD Single : A 720 THR OG1 : rot -22:sc= 0.133 USER MOD Single : A 722 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.0053) USER MOD Single : A 725 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0852) USER MOD Single : A 729 LYS NZ :NH3+ -110:sc= 1.22 (180deg=0.577) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot 180:sc= 0 USER MOD Single : A 743 ASN : amide:sc= 1.27 K(o=1.3,f=-0.1) USER MOD Single : A 744 ASN : amide:sc= -0.187 K(o=-0.19,f=-0.79) USER MOD Single : A 748 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.91) USER MOD Single : A 751 THR OG1 : rot 50:sc= -0.487 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 -28:sc= 1.24 USER MOD Single : A 756 ASN : amide:sc= -0.408 K(o=-0.41,f=-4.1!) USER MOD Single : A 758 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 762 THR OG1 : rot 180:sc= -0.0905 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 716 -0.052 -3.751 -0.504 1.00 13.00 N ATOM 2 CA LYS A 716 1.225 -3.251 -1.012 1.00 3.51 C ATOM 3 C LYS A 716 2.080 -4.385 -1.589 1.00 65.00 C ATOM 4 O LYS A 716 3.213 -4.168 -1.990 1.00 22.22 O ATOM 5 CB LYS A 716 2.002 -2.503 0.115 1.00 11.03 C ATOM 6 CG LYS A 716 2.291 -3.341 1.379 1.00 20.21 C ATOM 7 CD LYS A 716 3.499 -4.262 1.194 1.00 61.40 C ATOM 8 CE LYS A 716 3.588 -5.290 2.296 1.00 70.41 C ATOM 9 NZ LYS A 716 3.760 -4.673 3.629 1.00 45.54 N ATOM 0 HA LYS A 716 1.012 -2.550 -1.819 1.00 3.51 H new ATOM 0 HB2 LYS A 716 2.949 -2.149 -0.292 1.00 11.03 H new ATOM 0 HB3 LYS A 716 1.430 -1.621 0.405 1.00 11.03 H new ATOM 0 HG2 LYS A 716 2.470 -2.674 2.223 1.00 20.21 H new ATOM 0 HG3 LYS A 716 1.414 -3.939 1.626 1.00 20.21 H new ATOM 0 HD2 LYS A 716 3.429 -4.766 0.230 1.00 61.40 H new ATOM 0 HD3 LYS A 716 4.412 -3.667 1.176 1.00 61.40 H new ATOM 0 HE2 LYS A 716 2.684 -5.900 2.295 1.00 70.41 H new ATOM 0 HE3 LYS A 716 4.425 -5.960 2.098 1.00 70.41 H new ATOM 0 HZ1 LYS A 716 3.884 -5.419 4.343 1.00 45.54 H new ATOM 0 HZ2 LYS A 716 4.599 -4.058 3.621 1.00 45.54 H new ATOM 0 HZ3 LYS A 716 2.918 -4.108 3.861 1.00 45.54 H new ATOM 23 N LEU A 717 1.526 -5.573 -1.642 1.00 62.45 N ATOM 24 CA LEU A 717 2.284 -6.765 -2.013 1.00 53.21 C ATOM 25 C LEU A 717 2.774 -6.716 -3.464 1.00 30.44 C ATOM 26 O LEU A 717 3.823 -7.261 -3.785 1.00 12.12 O ATOM 27 CB LEU A 717 1.463 -8.013 -1.776 1.00 61.30 C ATOM 28 CG LEU A 717 2.214 -9.332 -1.896 1.00 34.44 C ATOM 29 CD1 LEU A 717 3.255 -9.453 -0.794 1.00 12.32 C ATOM 30 CD2 LEU A 717 1.257 -10.499 -1.863 1.00 3.03 C ATOM 0 H LEU A 717 0.544 -5.750 -1.432 1.00 62.45 H new ATOM 0 HA LEU A 717 3.167 -6.792 -1.375 1.00 53.21 H new ATOM 0 HB2 LEU A 717 1.027 -7.954 -0.779 1.00 61.30 H new ATOM 0 HB3 LEU A 717 0.636 -8.021 -2.486 1.00 61.30 H new ATOM 0 HG LEU A 717 2.729 -9.348 -2.856 1.00 34.44 H new ATOM 0 HD11 LEU A 717 3.783 -10.401 -0.894 1.00 12.32 H new ATOM 0 HD12 LEU A 717 3.967 -8.631 -0.874 1.00 12.32 H new ATOM 0 HD13 LEU A 717 2.763 -9.413 0.178 1.00 12.32 H new ATOM 0 HD21 LEU A 717 1.816 -11.431 -1.950 1.00 3.03 H new ATOM 0 HD22 LEU A 717 0.707 -10.492 -0.922 1.00 3.03 H new ATOM 0 HD23 LEU A 717 0.555 -10.418 -2.693 1.00 3.03 H new ATOM 42 N LEU A 718 2.027 -6.073 -4.320 1.00 2.03 N ATOM 43 CA LEU A 718 2.444 -5.925 -5.705 1.00 13.25 C ATOM 44 C LEU A 718 3.499 -4.840 -5.827 1.00 64.05 C ATOM 45 O LEU A 718 4.322 -4.856 -6.731 1.00 15.24 O ATOM 46 CB LEU A 718 1.243 -5.636 -6.637 1.00 41.11 C ATOM 47 CG LEU A 718 0.270 -6.816 -6.911 1.00 24.34 C ATOM 48 CD1 LEU A 718 -0.524 -7.190 -5.663 1.00 24.55 C ATOM 49 CD2 LEU A 718 -0.663 -6.483 -8.062 1.00 1.14 C ATOM 0 H LEU A 718 1.130 -5.642 -4.094 1.00 2.03 H new ATOM 0 HA LEU A 718 2.880 -6.872 -6.025 1.00 13.25 H new ATOM 0 HB2 LEU A 718 0.669 -4.815 -6.207 1.00 41.11 H new ATOM 0 HB3 LEU A 718 1.632 -5.287 -7.594 1.00 41.11 H new ATOM 0 HG LEU A 718 0.870 -7.682 -7.190 1.00 24.34 H new ATOM 0 HD11 LEU A 718 -1.194 -8.019 -5.893 1.00 24.55 H new ATOM 0 HD12 LEU A 718 0.163 -7.487 -4.870 1.00 24.55 H new ATOM 0 HD13 LEU A 718 -1.109 -6.331 -5.333 1.00 24.55 H new ATOM 0 HD21 LEU A 718 -1.337 -7.322 -8.239 1.00 1.14 H new ATOM 0 HD22 LEU A 718 -1.245 -5.596 -7.813 1.00 1.14 H new ATOM 0 HD23 LEU A 718 -0.078 -6.292 -8.961 1.00 1.14 H new ATOM 61 N ILE A 719 3.469 -3.909 -4.904 1.00 13.52 N ATOM 62 CA ILE A 719 4.425 -2.825 -4.878 1.00 12.14 C ATOM 63 C ILE A 719 5.750 -3.274 -4.252 1.00 71.23 C ATOM 64 O ILE A 719 6.833 -2.939 -4.751 1.00 22.54 O ATOM 65 CB ILE A 719 3.878 -1.603 -4.101 1.00 64.12 C ATOM 66 CG1 ILE A 719 2.534 -1.164 -4.682 1.00 63.53 C ATOM 67 CG2 ILE A 719 4.877 -0.450 -4.132 1.00 22.55 C ATOM 68 CD1 ILE A 719 2.591 -0.797 -6.148 1.00 52.21 C ATOM 0 H ILE A 719 2.783 -3.880 -4.150 1.00 13.52 H new ATOM 0 HA ILE A 719 4.599 -2.531 -5.913 1.00 12.14 H new ATOM 0 HB ILE A 719 3.730 -1.895 -3.061 1.00 64.12 H new ATOM 0 HG12 ILE A 719 1.811 -1.968 -4.547 1.00 63.53 H new ATOM 0 HG13 ILE A 719 2.167 -0.307 -4.117 1.00 63.53 H new ATOM 0 HG21 ILE A 719 4.471 0.398 -3.580 1.00 22.55 H new ATOM 0 HG22 ILE A 719 5.813 -0.767 -3.673 1.00 22.55 H new ATOM 0 HG23 ILE A 719 5.061 -0.156 -5.165 1.00 22.55 H new ATOM 0 HD11 ILE A 719 1.599 -0.496 -6.487 1.00 52.21 H new ATOM 0 HD12 ILE A 719 3.289 0.029 -6.290 1.00 52.21 H new ATOM 0 HD13 ILE A 719 2.926 -1.658 -6.726 1.00 52.21 H new ATOM 80 N THR A 720 5.658 -4.057 -3.167 1.00 33.54 N ATOM 81 CA THR A 720 6.839 -4.489 -2.428 1.00 20.55 C ATOM 82 C THR A 720 7.755 -5.361 -3.286 1.00 44.33 C ATOM 83 O THR A 720 8.899 -5.549 -2.955 1.00 35.55 O ATOM 84 CB THR A 720 6.463 -5.251 -1.128 1.00 62.05 C ATOM 85 OG1 THR A 720 7.633 -5.435 -0.314 1.00 52.31 O ATOM 86 CG2 THR A 720 5.878 -6.606 -1.458 1.00 72.21 C ATOM 0 H THR A 720 4.776 -4.400 -2.787 1.00 33.54 H new ATOM 0 HA THR A 720 7.376 -3.581 -2.154 1.00 20.55 H new ATOM 0 HB THR A 720 5.723 -4.661 -0.587 1.00 62.05 H new ATOM 0 HG1 THR A 720 8.434 -5.373 -0.875 1.00 52.31 H new ATOM 0 HG21 THR A 720 5.620 -7.126 -0.535 1.00 72.21 H new ATOM 0 HG22 THR A 720 4.981 -6.477 -2.064 1.00 72.21 H new ATOM 0 HG23 THR A 720 6.610 -7.193 -2.013 1.00 72.21 H new ATOM 94 N ILE A 721 7.220 -5.881 -4.387 1.00 74.13 N ATOM 95 CA ILE A 721 7.982 -6.682 -5.330 1.00 55.21 C ATOM 96 C ILE A 721 9.207 -5.918 -5.798 1.00 54.40 C ATOM 97 O ILE A 721 10.322 -6.447 -5.808 1.00 3.25 O ATOM 98 CB ILE A 721 7.123 -7.033 -6.572 1.00 50.20 C ATOM 99 CG1 ILE A 721 5.891 -7.835 -6.169 1.00 33.12 C ATOM 100 CG2 ILE A 721 7.947 -7.793 -7.601 1.00 64.31 C ATOM 101 CD1 ILE A 721 4.953 -8.130 -7.320 1.00 3.23 C ATOM 0 H ILE A 721 6.242 -5.756 -4.648 1.00 74.13 H new ATOM 0 HA ILE A 721 8.282 -7.598 -4.821 1.00 55.21 H new ATOM 0 HB ILE A 721 6.788 -6.101 -7.026 1.00 50.20 H new ATOM 0 HG12 ILE A 721 6.211 -8.776 -5.723 1.00 33.12 H new ATOM 0 HG13 ILE A 721 5.347 -7.287 -5.400 1.00 33.12 H new ATOM 0 HG21 ILE A 721 7.324 -8.029 -8.464 1.00 64.31 H new ATOM 0 HG22 ILE A 721 8.789 -7.178 -7.919 1.00 64.31 H new ATOM 0 HG23 ILE A 721 8.319 -8.717 -7.159 1.00 64.31 H new ATOM 0 HD11 ILE A 721 4.100 -8.703 -6.957 1.00 3.23 H new ATOM 0 HD12 ILE A 721 4.602 -7.193 -7.753 1.00 3.23 H new ATOM 0 HD13 ILE A 721 5.480 -8.706 -8.080 1.00 3.23 H new ATOM 113 N HIS A 722 9.001 -4.665 -6.149 1.00 71.14 N ATOM 114 CA HIS A 722 10.055 -3.835 -6.679 1.00 11.11 C ATOM 115 C HIS A 722 11.126 -3.583 -5.623 1.00 32.41 C ATOM 116 O HIS A 722 12.297 -3.398 -5.940 1.00 33.11 O ATOM 117 CB HIS A 722 9.484 -2.524 -7.164 1.00 2.53 C ATOM 118 CG HIS A 722 10.359 -1.837 -8.146 1.00 43.11 C ATOM 119 ND1 HIS A 722 10.827 -0.559 -7.982 1.00 34.15 N ATOM 120 CD2 HIS A 722 10.853 -2.265 -9.311 1.00 21.22 C ATOM 121 CE1 HIS A 722 11.570 -0.234 -9.012 1.00 62.43 C ATOM 122 NE2 HIS A 722 11.602 -1.252 -9.832 1.00 73.25 N ATOM 0 H HIS A 722 8.098 -4.197 -6.074 1.00 71.14 H new ATOM 0 HA HIS A 722 10.517 -4.355 -7.518 1.00 11.11 H new ATOM 0 HB2 HIS A 722 8.510 -2.705 -7.618 1.00 2.53 H new ATOM 0 HB3 HIS A 722 9.321 -1.867 -6.310 1.00 2.53 H new ATOM 0 HD2 HIS A 722 10.689 -3.235 -9.758 1.00 21.22 H new ATOM 0 HE1 HIS A 722 12.070 0.712 -9.158 1.00 62.43 H new ATOM 0 HE2 HIS A 722 12.106 -1.283 -10.718 1.00 73.25 H new ATOM 131 N ASP A 723 10.715 -3.587 -4.393 1.00 3.43 N ATOM 132 CA ASP A 723 11.626 -3.401 -3.276 1.00 3.40 C ATOM 133 C ASP A 723 12.237 -4.711 -2.858 1.00 4.34 C ATOM 134 O ASP A 723 13.334 -4.748 -2.301 1.00 35.52 O ATOM 135 CB ASP A 723 10.910 -2.772 -2.092 1.00 10.31 C ATOM 136 CG ASP A 723 10.542 -1.342 -2.326 1.00 72.24 C ATOM 137 OD1 ASP A 723 11.446 -0.473 -2.260 1.00 62.30 O ATOM 138 OD2 ASP A 723 9.352 -1.063 -2.565 1.00 51.23 O ATOM 0 H ASP A 723 9.741 -3.718 -4.121 1.00 3.43 H new ATOM 0 HA ASP A 723 12.419 -2.731 -3.606 1.00 3.40 H new ATOM 0 HB2 ASP A 723 10.007 -3.343 -1.875 1.00 10.31 H new ATOM 0 HB3 ASP A 723 11.549 -2.838 -1.211 1.00 10.31 H new ATOM 143 N ARG A 724 11.530 -5.786 -3.124 1.00 61.02 N ATOM 144 CA ARG A 724 11.983 -7.096 -2.769 1.00 11.55 C ATOM 145 C ARG A 724 13.198 -7.473 -3.571 1.00 74.51 C ATOM 146 O ARG A 724 14.174 -7.966 -3.033 1.00 33.53 O ATOM 147 CB ARG A 724 10.871 -8.133 -2.948 1.00 75.52 C ATOM 148 CG ARG A 724 11.169 -9.451 -2.278 1.00 63.41 C ATOM 149 CD ARG A 724 9.977 -10.364 -2.286 1.00 75.33 C ATOM 150 NE ARG A 724 10.068 -11.373 -1.204 1.00 21.42 N ATOM 151 CZ ARG A 724 9.108 -12.252 -0.898 1.00 52.24 C ATOM 152 NH1 ARG A 724 8.077 -12.405 -1.690 1.00 4.55 N ATOM 153 NH2 ARG A 724 9.221 -13.011 0.189 1.00 74.11 N ATOM 0 H ARG A 724 10.625 -5.768 -3.593 1.00 61.02 H new ATOM 0 HA ARG A 724 12.259 -7.081 -1.715 1.00 11.55 H new ATOM 0 HB2 ARG A 724 9.941 -7.731 -2.546 1.00 75.52 H new ATOM 0 HB3 ARG A 724 10.710 -8.303 -4.013 1.00 75.52 H new ATOM 0 HG2 ARG A 724 12.002 -9.937 -2.786 1.00 63.41 H new ATOM 0 HG3 ARG A 724 11.483 -9.273 -1.250 1.00 63.41 H new ATOM 0 HD2 ARG A 724 9.066 -9.778 -2.165 1.00 75.33 H new ATOM 0 HD3 ARG A 724 9.907 -10.867 -3.251 1.00 75.33 H new ATOM 0 HE ARG A 724 10.926 -11.399 -0.653 1.00 21.42 H new ATOM 0 HH11 ARG A 724 8.004 -11.853 -2.544 1.00 4.55 H new ATOM 0 HH12 ARG A 724 7.347 -13.077 -1.453 1.00 4.55 H new ATOM 0 HH21 ARG A 724 10.041 -12.923 0.790 1.00 74.11 H new ATOM 0 HH22 ARG A 724 8.488 -13.681 0.421 1.00 74.11 H new ATOM 167 N LYS A 725 13.145 -7.223 -4.853 1.00 52.20 N ATOM 168 CA LYS A 725 14.277 -7.491 -5.719 1.00 33.33 C ATOM 169 C LYS A 725 15.413 -6.528 -5.456 1.00 41.41 C ATOM 170 O LYS A 725 16.571 -6.805 -5.791 1.00 32.53 O ATOM 171 CB LYS A 725 13.880 -7.482 -7.199 1.00 51.23 C ATOM 172 CG LYS A 725 13.163 -8.739 -7.651 1.00 25.23 C ATOM 173 CD LYS A 725 11.764 -8.822 -7.097 1.00 20.21 C ATOM 174 CE LYS A 725 11.179 -10.190 -7.294 1.00 13.05 C ATOM 175 NZ LYS A 725 11.183 -10.606 -8.719 1.00 14.35 N ATOM 0 H LYS A 725 12.330 -6.833 -5.327 1.00 52.20 H new ATOM 0 HA LYS A 725 14.627 -8.496 -5.482 1.00 33.33 H new ATOM 0 HB2 LYS A 725 13.238 -6.622 -7.387 1.00 51.23 H new ATOM 0 HB3 LYS A 725 14.776 -7.349 -7.805 1.00 51.23 H new ATOM 0 HG2 LYS A 725 13.123 -8.762 -8.740 1.00 25.23 H new ATOM 0 HG3 LYS A 725 13.731 -9.614 -7.334 1.00 25.23 H new ATOM 0 HD2 LYS A 725 11.776 -8.579 -6.034 1.00 20.21 H new ATOM 0 HD3 LYS A 725 11.132 -8.080 -7.586 1.00 20.21 H new ATOM 0 HE2 LYS A 725 11.745 -10.912 -6.706 1.00 13.05 H new ATOM 0 HE3 LYS A 725 10.156 -10.203 -6.917 1.00 13.05 H new ATOM 0 HZ1 LYS A 725 10.608 -11.465 -8.831 1.00 14.35 H new ATOM 0 HZ2 LYS A 725 10.785 -9.844 -9.304 1.00 14.35 H new ATOM 0 HZ3 LYS A 725 12.159 -10.801 -9.021 1.00 14.35 H new ATOM 189 N GLU A 726 15.089 -5.407 -4.864 1.00 11.31 N ATOM 190 CA GLU A 726 16.065 -4.423 -4.539 1.00 45.35 C ATOM 191 C GLU A 726 16.736 -4.748 -3.181 1.00 71.55 C ATOM 192 O GLU A 726 17.823 -5.336 -3.134 1.00 32.11 O ATOM 193 CB GLU A 726 15.416 -3.027 -4.494 1.00 51.31 C ATOM 194 CG GLU A 726 16.404 -1.883 -4.383 1.00 54.14 C ATOM 195 CD GLU A 726 17.264 -1.756 -5.602 1.00 52.35 C ATOM 196 OE1 GLU A 726 16.851 -1.074 -6.551 1.00 14.53 O ATOM 197 OE2 GLU A 726 18.352 -2.339 -5.627 1.00 43.13 O ATOM 0 H GLU A 726 14.136 -5.159 -4.597 1.00 11.31 H new ATOM 0 HA GLU A 726 16.834 -4.429 -5.312 1.00 45.35 H new ATOM 0 HB2 GLU A 726 14.817 -2.888 -5.394 1.00 51.31 H new ATOM 0 HB3 GLU A 726 14.732 -2.984 -3.646 1.00 51.31 H new ATOM 0 HG2 GLU A 726 15.861 -0.951 -4.225 1.00 54.14 H new ATOM 0 HG3 GLU A 726 17.037 -2.036 -3.509 1.00 54.14 H new ATOM 204 N PHE A 727 16.079 -4.364 -2.100 1.00 74.40 N ATOM 205 CA PHE A 727 16.618 -4.543 -0.759 1.00 52.13 C ATOM 206 C PHE A 727 16.428 -5.964 -0.222 1.00 12.25 C ATOM 207 O PHE A 727 17.369 -6.576 0.268 1.00 43.42 O ATOM 208 CB PHE A 727 16.026 -3.518 0.211 1.00 31.34 C ATOM 209 CG PHE A 727 16.488 -3.693 1.636 1.00 30.20 C ATOM 210 CD1 PHE A 727 17.832 -3.607 1.959 1.00 13.23 C ATOM 211 CD2 PHE A 727 15.579 -3.951 2.645 1.00 11.34 C ATOM 212 CE1 PHE A 727 18.258 -3.771 3.259 1.00 34.24 C ATOM 213 CE2 PHE A 727 15.997 -4.116 3.946 1.00 30.52 C ATOM 214 CZ PHE A 727 17.340 -4.026 4.255 1.00 73.11 C ATOM 0 H PHE A 727 15.161 -3.921 -2.125 1.00 74.40 H new ATOM 0 HA PHE A 727 17.693 -4.378 -0.837 1.00 52.13 H new ATOM 0 HB2 PHE A 727 16.291 -2.516 -0.127 1.00 31.34 H new ATOM 0 HB3 PHE A 727 14.939 -3.588 0.180 1.00 31.34 H new ATOM 0 HD1 PHE A 727 18.555 -3.409 1.182 1.00 13.23 H new ATOM 0 HD2 PHE A 727 14.528 -4.024 2.410 1.00 11.34 H new ATOM 0 HE1 PHE A 727 19.309 -3.700 3.497 1.00 34.24 H new ATOM 0 HE2 PHE A 727 15.275 -4.316 4.724 1.00 30.52 H new ATOM 0 HZ PHE A 727 17.670 -4.155 5.275 1.00 73.11 H new ATOM 224 N ALA A 728 15.200 -6.478 -0.324 1.00 53.22 N ATOM 225 CA ALA A 728 14.815 -7.757 0.332 1.00 4.32 C ATOM 226 C ALA A 728 15.742 -8.898 -0.007 1.00 61.33 C ATOM 227 O ALA A 728 16.039 -9.714 0.833 1.00 1.31 O ATOM 228 CB ALA A 728 13.406 -8.129 0.002 1.00 60.43 C ATOM 0 H ALA A 728 14.446 -6.038 -0.852 1.00 53.22 H new ATOM 0 HA ALA A 728 14.899 -7.581 1.404 1.00 4.32 H new ATOM 0 HB1 ALA A 728 13.152 -9.068 0.495 1.00 60.43 H new ATOM 0 HB2 ALA A 728 12.732 -7.345 0.347 1.00 60.43 H new ATOM 0 HB3 ALA A 728 13.304 -8.247 -1.077 1.00 60.43 H new ATOM 234 N LYS A 729 16.202 -8.945 -1.240 1.00 71.34 N ATOM 235 CA LYS A 729 17.099 -10.019 -1.686 1.00 74.35 C ATOM 236 C LYS A 729 18.361 -10.094 -0.832 1.00 72.53 C ATOM 237 O LYS A 729 18.977 -11.154 -0.715 1.00 23.15 O ATOM 238 CB LYS A 729 17.457 -9.856 -3.160 1.00 75.15 C ATOM 239 CG LYS A 729 16.268 -9.920 -4.149 1.00 64.53 C ATOM 240 CD LYS A 729 15.571 -11.294 -4.166 1.00 53.03 C ATOM 241 CE LYS A 729 14.581 -11.459 -3.013 1.00 0.44 C ATOM 242 NZ LYS A 729 13.905 -12.756 -3.055 1.00 74.45 N ATOM 0 H LYS A 729 15.976 -8.258 -1.959 1.00 71.34 H new ATOM 0 HA LYS A 729 16.561 -10.959 -1.564 1.00 74.35 H new ATOM 0 HB2 LYS A 729 17.962 -8.899 -3.289 1.00 75.15 H new ATOM 0 HB3 LYS A 729 18.173 -10.633 -3.430 1.00 75.15 H new ATOM 0 HG2 LYS A 729 15.540 -9.153 -3.884 1.00 64.53 H new ATOM 0 HG3 LYS A 729 16.625 -9.687 -5.152 1.00 64.53 H new ATOM 0 HD2 LYS A 729 15.046 -11.421 -5.113 1.00 53.03 H new ATOM 0 HD3 LYS A 729 16.323 -12.081 -4.111 1.00 53.03 H new ATOM 0 HE2 LYS A 729 15.108 -11.355 -2.065 1.00 0.44 H new ATOM 0 HE3 LYS A 729 13.839 -10.662 -3.055 1.00 0.44 H new ATOM 0 HZ1 LYS A 729 12.906 -12.619 -3.309 1.00 74.45 H new ATOM 0 HZ2 LYS A 729 14.362 -13.363 -3.765 1.00 74.45 H new ATOM 0 HZ3 LYS A 729 13.965 -13.209 -2.121 1.00 74.45 H new ATOM 256 N PHE A 730 18.724 -8.988 -0.232 1.00 52.25 N ATOM 257 CA PHE A 730 19.875 -8.936 0.626 1.00 24.22 C ATOM 258 C PHE A 730 19.595 -9.586 1.951 1.00 61.11 C ATOM 259 O PHE A 730 20.333 -10.481 2.386 1.00 64.24 O ATOM 260 CB PHE A 730 20.319 -7.509 0.843 1.00 34.21 C ATOM 261 CG PHE A 730 21.033 -6.896 -0.316 1.00 23.21 C ATOM 262 CD1 PHE A 730 20.341 -6.512 -1.444 1.00 34.23 C ATOM 263 CD2 PHE A 730 22.403 -6.701 -0.278 1.00 74.51 C ATOM 264 CE1 PHE A 730 20.998 -5.943 -2.518 1.00 35.03 C ATOM 265 CE2 PHE A 730 23.066 -6.132 -1.346 1.00 22.11 C ATOM 266 CZ PHE A 730 22.361 -5.753 -2.468 1.00 55.12 C ATOM 0 H PHE A 730 18.229 -8.101 -0.326 1.00 52.25 H new ATOM 0 HA PHE A 730 20.676 -9.486 0.131 1.00 24.22 H new ATOM 0 HB2 PHE A 730 19.444 -6.902 1.076 1.00 34.21 H new ATOM 0 HB3 PHE A 730 20.972 -7.474 1.715 1.00 34.21 H new ATOM 0 HD1 PHE A 730 19.272 -6.658 -1.489 1.00 34.23 H new ATOM 0 HD2 PHE A 730 22.960 -6.998 0.598 1.00 74.51 H new ATOM 0 HE1 PHE A 730 20.443 -5.647 -3.396 1.00 35.03 H new ATOM 0 HE2 PHE A 730 24.135 -5.984 -1.303 1.00 22.11 H new ATOM 0 HZ PHE A 730 22.876 -5.308 -3.306 1.00 55.12 H new ATOM 276 N GLU A 731 18.535 -9.147 2.600 1.00 31.23 N ATOM 277 CA GLU A 731 18.180 -9.664 3.900 1.00 33.00 C ATOM 278 C GLU A 731 17.725 -11.102 3.793 1.00 2.40 C ATOM 279 O GLU A 731 17.957 -11.899 4.683 1.00 4.35 O ATOM 280 CB GLU A 731 17.084 -8.809 4.552 1.00 15.35 C ATOM 281 CG GLU A 731 15.764 -8.832 3.814 1.00 22.25 C ATOM 282 CD GLU A 731 14.672 -8.108 4.547 1.00 13.15 C ATOM 283 OE1 GLU A 731 14.141 -8.670 5.527 1.00 40.34 O ATOM 284 OE2 GLU A 731 14.332 -6.983 4.159 1.00 21.22 O ATOM 0 H GLU A 731 17.904 -8.430 2.243 1.00 31.23 H new ATOM 0 HA GLU A 731 19.068 -9.622 4.531 1.00 33.00 H new ATOM 0 HB2 GLU A 731 16.924 -9.158 5.572 1.00 15.35 H new ATOM 0 HB3 GLU A 731 17.433 -7.779 4.619 1.00 15.35 H new ATOM 0 HG2 GLU A 731 15.896 -8.381 2.831 1.00 22.25 H new ATOM 0 HG3 GLU A 731 15.462 -9.867 3.652 1.00 22.25 H new ATOM 291 N GLU A 732 17.098 -11.427 2.673 1.00 33.41 N ATOM 292 CA GLU A 732 16.555 -12.753 2.435 1.00 74.52 C ATOM 293 C GLU A 732 17.622 -13.838 2.445 1.00 60.20 C ATOM 294 O GLU A 732 17.345 -14.980 2.810 1.00 63.33 O ATOM 295 CB GLU A 732 15.695 -12.797 1.160 1.00 23.44 C ATOM 296 CG GLU A 732 14.237 -12.326 1.400 1.00 23.42 C ATOM 297 CD GLU A 732 13.340 -12.413 0.164 1.00 14.53 C ATOM 298 OE1 GLU A 732 13.304 -13.491 -0.499 1.00 0.14 O ATOM 299 OE2 GLU A 732 12.660 -11.412 -0.152 1.00 54.55 O ATOM 0 H GLU A 732 16.952 -10.776 1.902 1.00 33.41 H new ATOM 0 HA GLU A 732 15.896 -12.972 3.275 1.00 74.52 H new ATOM 0 HB2 GLU A 732 16.154 -12.169 0.396 1.00 23.44 H new ATOM 0 HB3 GLU A 732 15.683 -13.815 0.770 1.00 23.44 H new ATOM 0 HG2 GLU A 732 13.799 -12.928 2.196 1.00 23.42 H new ATOM 0 HG3 GLU A 732 14.253 -11.294 1.752 1.00 23.42 H new ATOM 306 N GLU A 733 18.824 -13.492 2.054 1.00 54.33 N ATOM 307 CA GLU A 733 19.910 -14.449 2.083 1.00 33.34 C ATOM 308 C GLU A 733 20.154 -14.953 3.500 1.00 21.14 C ATOM 309 O GLU A 733 20.232 -16.129 3.728 1.00 22.11 O ATOM 310 CB GLU A 733 21.177 -13.860 1.515 1.00 21.54 C ATOM 311 CG GLU A 733 21.063 -13.442 0.079 1.00 32.11 C ATOM 312 CD GLU A 733 22.408 -13.271 -0.575 1.00 54.45 C ATOM 313 OE1 GLU A 733 23.039 -12.209 -0.388 1.00 22.42 O ATOM 314 OE2 GLU A 733 22.859 -14.214 -1.271 1.00 13.20 O ATOM 0 H GLU A 733 19.077 -12.564 1.714 1.00 54.33 H new ATOM 0 HA GLU A 733 19.617 -15.293 1.458 1.00 33.34 H new ATOM 0 HB2 GLU A 733 21.464 -12.995 2.113 1.00 21.54 H new ATOM 0 HB3 GLU A 733 21.979 -14.592 1.607 1.00 21.54 H new ATOM 0 HG2 GLU A 733 20.487 -14.187 -0.469 1.00 32.11 H new ATOM 0 HG3 GLU A 733 20.510 -12.504 0.019 1.00 32.11 H new ATOM 321 N ARG A 734 20.293 -14.043 4.421 1.00 15.40 N ATOM 322 CA ARG A 734 20.460 -14.382 5.822 1.00 63.23 C ATOM 323 C ARG A 734 19.134 -14.838 6.454 1.00 74.30 C ATOM 324 O ARG A 734 19.058 -15.900 7.074 1.00 2.03 O ATOM 325 CB ARG A 734 21.078 -13.186 6.603 1.00 74.41 C ATOM 326 CG ARG A 734 21.252 -13.405 8.120 1.00 71.14 C ATOM 327 CD ARG A 734 19.993 -13.019 8.897 1.00 65.14 C ATOM 328 NE ARG A 734 20.150 -13.216 10.345 1.00 22.02 N ATOM 329 CZ ARG A 734 19.540 -12.466 11.289 1.00 63.31 C ATOM 330 NH1 ARG A 734 18.747 -11.449 10.931 1.00 22.12 N ATOM 331 NH2 ARG A 734 19.722 -12.741 12.583 1.00 53.25 N ATOM 0 H ARG A 734 20.295 -13.041 4.231 1.00 15.40 H new ATOM 0 HA ARG A 734 21.151 -15.223 5.885 1.00 63.23 H new ATOM 0 HB2 ARG A 734 22.053 -12.958 6.172 1.00 74.41 H new ATOM 0 HB3 ARG A 734 20.448 -12.310 6.450 1.00 74.41 H new ATOM 0 HG2 ARG A 734 21.491 -14.451 8.311 1.00 71.14 H new ATOM 0 HG3 ARG A 734 22.096 -12.815 8.478 1.00 71.14 H new ATOM 0 HD2 ARG A 734 19.752 -11.975 8.699 1.00 65.14 H new ATOM 0 HD3 ARG A 734 19.152 -13.614 8.541 1.00 65.14 H new ATOM 0 HE ARG A 734 20.761 -13.970 10.659 1.00 22.02 H new ATOM 0 HH11 ARG A 734 18.602 -11.239 9.944 1.00 22.12 H new ATOM 0 HH12 ARG A 734 18.288 -10.884 11.646 1.00 22.12 H new ATOM 0 HH21 ARG A 734 20.322 -13.518 12.860 1.00 53.25 H new ATOM 0 HH22 ARG A 734 19.261 -12.174 13.295 1.00 53.25 H new ATOM 345 N ALA A 735 18.106 -14.035 6.272 1.00 24.34 N ATOM 346 CA ALA A 735 16.835 -14.209 6.985 1.00 34.11 C ATOM 347 C ALA A 735 16.018 -15.349 6.421 1.00 34.01 C ATOM 348 O ALA A 735 15.739 -16.336 7.117 1.00 24.44 O ATOM 349 CB ALA A 735 16.034 -12.910 6.959 1.00 24.24 C ATOM 0 H ALA A 735 18.117 -13.242 5.630 1.00 24.34 H new ATOM 0 HA ALA A 735 17.070 -14.463 8.019 1.00 34.11 H new ATOM 0 HB1 ALA A 735 15.093 -13.052 7.491 1.00 24.24 H new ATOM 0 HB2 ALA A 735 16.608 -12.119 7.441 1.00 24.24 H new ATOM 0 HB3 ALA A 735 15.828 -12.630 5.926 1.00 24.24 H new ATOM 355 N ARG A 736 15.651 -15.235 5.154 1.00 55.24 N ATOM 356 CA ARG A 736 14.796 -16.231 4.507 1.00 13.35 C ATOM 357 C ARG A 736 15.485 -17.598 4.472 1.00 15.44 C ATOM 358 O ARG A 736 14.847 -18.610 4.280 1.00 74.52 O ATOM 359 CB ARG A 736 14.437 -15.794 3.077 1.00 70.41 C ATOM 360 CG ARG A 736 13.280 -16.562 2.462 1.00 0.52 C ATOM 361 CD ARG A 736 13.241 -16.397 0.957 1.00 54.44 C ATOM 362 NE ARG A 736 14.324 -17.156 0.288 1.00 12.32 N ATOM 363 CZ ARG A 736 14.862 -16.836 -0.896 1.00 71.41 C ATOM 364 NH1 ARG A 736 14.513 -15.711 -1.501 1.00 23.20 N ATOM 365 NH2 ARG A 736 15.780 -17.627 -1.449 1.00 13.03 N ATOM 0 H ARG A 736 15.930 -14.463 4.548 1.00 55.24 H new ATOM 0 HA ARG A 736 13.880 -16.313 5.091 1.00 13.35 H new ATOM 0 HB2 ARG A 736 14.190 -14.732 3.085 1.00 70.41 H new ATOM 0 HB3 ARG A 736 15.315 -15.912 2.442 1.00 70.41 H new ATOM 0 HG2 ARG A 736 13.371 -17.619 2.711 1.00 0.52 H new ATOM 0 HG3 ARG A 736 12.341 -16.213 2.892 1.00 0.52 H new ATOM 0 HD2 ARG A 736 12.275 -16.734 0.580 1.00 54.44 H new ATOM 0 HD3 ARG A 736 13.330 -15.340 0.706 1.00 54.44 H new ATOM 0 HE ARG A 736 14.686 -17.982 0.764 1.00 12.32 H new ATOM 0 HH11 ARG A 736 13.834 -15.087 -1.065 1.00 23.20 H new ATOM 0 HH12 ARG A 736 14.923 -15.468 -2.403 1.00 23.20 H new ATOM 0 HH21 ARG A 736 16.075 -18.478 -0.971 1.00 13.03 H new ATOM 0 HH22 ARG A 736 16.188 -17.381 -2.351 1.00 13.03 H new ATOM 379 N ALA A 737 16.796 -17.606 4.671 1.00 4.43 N ATOM 380 CA ALA A 737 17.553 -18.852 4.672 1.00 22.03 C ATOM 381 C ALA A 737 17.122 -19.756 5.800 1.00 43.43 C ATOM 382 O ALA A 737 17.271 -20.960 5.720 1.00 43.13 O ATOM 383 CB ALA A 737 19.017 -18.577 4.780 1.00 31.53 C ATOM 0 H ALA A 737 17.356 -16.769 4.833 1.00 4.43 H new ATOM 0 HA ALA A 737 17.351 -19.358 3.728 1.00 22.03 H new ATOM 0 HB1 ALA A 737 19.565 -19.519 4.779 1.00 31.53 H new ATOM 0 HB2 ALA A 737 19.337 -17.970 3.933 1.00 31.53 H new ATOM 0 HB3 ALA A 737 19.219 -18.041 5.707 1.00 31.53 H new ATOM 389 N LYS A 738 16.598 -19.172 6.850 1.00 41.20 N ATOM 390 CA LYS A 738 16.200 -19.932 8.002 1.00 30.22 C ATOM 391 C LYS A 738 14.721 -19.796 8.273 1.00 13.02 C ATOM 392 O LYS A 738 14.139 -20.600 8.985 1.00 61.22 O ATOM 393 CB LYS A 738 17.003 -19.491 9.220 1.00 1.02 C ATOM 394 CG LYS A 738 18.491 -19.598 9.025 1.00 20.01 C ATOM 395 CD LYS A 738 19.246 -19.163 10.242 1.00 44.43 C ATOM 396 CE LYS A 738 20.731 -19.289 10.023 1.00 15.42 C ATOM 397 NZ LYS A 738 21.498 -18.841 11.190 1.00 73.41 N ATOM 0 H LYS A 738 16.438 -18.168 6.927 1.00 41.20 H new ATOM 0 HA LYS A 738 16.403 -20.983 7.798 1.00 30.22 H new ATOM 0 HB2 LYS A 738 16.749 -18.458 9.459 1.00 1.02 H new ATOM 0 HB3 LYS A 738 16.712 -20.098 10.077 1.00 1.02 H new ATOM 0 HG2 LYS A 738 18.752 -20.629 8.785 1.00 20.01 H new ATOM 0 HG3 LYS A 738 18.791 -18.986 8.174 1.00 20.01 H new ATOM 0 HD2 LYS A 738 18.995 -18.129 10.481 1.00 44.43 H new ATOM 0 HD3 LYS A 738 18.947 -19.769 11.097 1.00 44.43 H new ATOM 0 HE2 LYS A 738 20.978 -20.328 9.803 1.00 15.42 H new ATOM 0 HE3 LYS A 738 21.020 -18.701 9.152 1.00 15.42 H new ATOM 0 HZ1 LYS A 738 22.515 -18.944 10.998 1.00 73.41 H new ATOM 0 HZ2 LYS A 738 21.282 -17.842 11.385 1.00 73.41 H new ATOM 0 HZ3 LYS A 738 21.242 -19.418 12.016 1.00 73.41 H new ATOM 411 N TRP A 739 14.112 -18.781 7.700 1.00 40.41 N ATOM 412 CA TRP A 739 12.729 -18.483 7.996 1.00 40.23 C ATOM 413 C TRP A 739 11.892 -18.374 6.735 1.00 42.14 C ATOM 414 O TRP A 739 10.872 -17.685 6.711 1.00 32.33 O ATOM 415 CB TRP A 739 12.635 -17.198 8.830 1.00 51.54 C ATOM 416 CG TRP A 739 13.424 -17.276 10.106 1.00 22.44 C ATOM 417 CD1 TRP A 739 14.771 -17.093 10.248 1.00 3.13 C ATOM 418 CD2 TRP A 739 12.921 -17.564 11.409 1.00 3.04 C ATOM 419 NE1 TRP A 739 15.138 -17.275 11.546 1.00 52.31 N ATOM 420 CE2 TRP A 739 14.022 -17.552 12.290 1.00 11.42 C ATOM 421 CE3 TRP A 739 11.649 -17.833 11.922 1.00 72.34 C ATOM 422 CZ2 TRP A 739 13.889 -17.802 13.652 1.00 63.14 C ATOM 423 CZ3 TRP A 739 11.517 -18.077 13.275 1.00 12.34 C ATOM 424 CH2 TRP A 739 12.630 -18.059 14.126 1.00 4.32 C ATOM 0 H TRP A 739 14.551 -18.151 7.029 1.00 40.41 H new ATOM 0 HA TRP A 739 12.323 -19.312 8.577 1.00 40.23 H new ATOM 0 HB2 TRP A 739 12.994 -16.357 8.236 1.00 51.54 H new ATOM 0 HB3 TRP A 739 11.590 -16.998 9.066 1.00 51.54 H new ATOM 0 HD1 TRP A 739 15.448 -16.840 9.445 1.00 3.13 H new ATOM 0 HE1 TRP A 739 16.090 -17.215 11.906 1.00 52.31 H new ATOM 0 HE3 TRP A 739 10.786 -17.850 11.273 1.00 72.34 H new ATOM 0 HZ2 TRP A 739 14.745 -17.794 14.310 1.00 63.14 H new ATOM 0 HZ3 TRP A 739 10.539 -18.285 13.684 1.00 12.34 H new ATOM 0 HH2 TRP A 739 12.492 -18.252 15.180 1.00 4.32 H new ATOM 435 N ASP A 740 12.293 -19.074 5.708 1.00 10.21 N ATOM 436 CA ASP A 740 11.530 -19.101 4.452 1.00 65.15 C ATOM 437 C ASP A 740 10.167 -19.713 4.682 1.00 12.45 C ATOM 438 O ASP A 740 9.164 -19.212 4.203 1.00 34.04 O ATOM 439 CB ASP A 740 12.298 -19.879 3.346 1.00 4.15 C ATOM 440 CG ASP A 740 12.566 -21.344 3.689 1.00 55.22 C ATOM 441 OD1 ASP A 740 12.845 -21.653 4.880 1.00 53.12 O ATOM 442 OD2 ASP A 740 12.522 -22.186 2.767 1.00 44.13 O ATOM 0 H ASP A 740 13.142 -19.639 5.699 1.00 10.21 H new ATOM 0 HA ASP A 740 11.401 -18.074 4.110 1.00 65.15 H new ATOM 0 HB2 ASP A 740 11.726 -19.832 2.419 1.00 4.15 H new ATOM 0 HB3 ASP A 740 13.249 -19.380 3.159 1.00 4.15 H new ATOM 447 N THR A 741 10.141 -20.758 5.455 1.00 44.44 N ATOM 448 CA THR A 741 8.919 -21.448 5.782 1.00 72.10 C ATOM 449 C THR A 741 7.967 -20.550 6.632 1.00 30.42 C ATOM 450 O THR A 741 6.756 -20.762 6.660 1.00 52.54 O ATOM 451 CB THR A 741 9.218 -22.786 6.541 1.00 70.21 C ATOM 452 OG1 THR A 741 7.999 -23.484 6.819 1.00 3.20 O ATOM 453 CG2 THR A 741 9.965 -22.519 7.846 1.00 74.04 C ATOM 0 H THR A 741 10.974 -21.163 5.883 1.00 44.44 H new ATOM 0 HA THR A 741 8.417 -21.683 4.843 1.00 72.10 H new ATOM 0 HB THR A 741 9.847 -23.402 5.899 1.00 70.21 H new ATOM 0 HG1 THR A 741 8.200 -24.318 7.292 1.00 3.20 H new ATOM 0 HG21 THR A 741 10.160 -23.464 8.353 1.00 74.04 H new ATOM 0 HG22 THR A 741 10.910 -22.022 7.629 1.00 74.04 H new ATOM 0 HG23 THR A 741 9.358 -21.881 8.488 1.00 74.04 H new ATOM 461 N ALA A 742 8.530 -19.553 7.290 1.00 23.31 N ATOM 462 CA ALA A 742 7.766 -18.713 8.191 1.00 72.15 C ATOM 463 C ALA A 742 7.174 -17.486 7.479 1.00 55.21 C ATOM 464 O ALA A 742 6.199 -16.914 7.939 1.00 15.42 O ATOM 465 CB ALA A 742 8.631 -18.279 9.363 1.00 70.02 C ATOM 0 H ALA A 742 9.517 -19.306 7.216 1.00 23.31 H new ATOM 0 HA ALA A 742 6.929 -19.306 8.560 1.00 72.15 H new ATOM 0 HB1 ALA A 742 8.046 -17.649 10.033 1.00 70.02 H new ATOM 0 HB2 ALA A 742 8.979 -19.159 9.904 1.00 70.02 H new ATOM 0 HB3 ALA A 742 9.489 -17.718 8.994 1.00 70.02 H new ATOM 471 N ASN A 743 7.759 -17.098 6.369 1.00 32.21 N ATOM 472 CA ASN A 743 7.329 -15.859 5.679 1.00 3.42 C ATOM 473 C ASN A 743 6.694 -16.155 4.359 1.00 50.15 C ATOM 474 O ASN A 743 5.757 -15.472 3.940 1.00 22.55 O ATOM 475 CB ASN A 743 8.520 -14.913 5.469 1.00 63.00 C ATOM 476 CG ASN A 743 9.122 -14.431 6.761 1.00 71.31 C ATOM 477 OD1 ASN A 743 8.758 -13.372 7.281 1.00 42.12 O ATOM 478 ND2 ASN A 743 10.026 -15.189 7.285 1.00 32.10 N ATOM 0 H ASN A 743 8.523 -17.598 5.915 1.00 32.21 H new ATOM 0 HA ASN A 743 6.590 -15.377 6.319 1.00 3.42 H new ATOM 0 HB2 ASN A 743 9.286 -15.425 4.886 1.00 63.00 H new ATOM 0 HB3 ASN A 743 8.195 -14.053 4.883 1.00 63.00 H new ATOM 0 HD21 ASN A 743 10.470 -14.921 8.163 1.00 32.10 H new ATOM 0 HD22 ASN A 743 10.296 -16.056 6.821 1.00 32.10 H new ATOM 485 N ASN A 744 7.182 -17.158 3.712 1.00 70.40 N ATOM 486 CA ASN A 744 6.735 -17.497 2.397 1.00 44.21 C ATOM 487 C ASN A 744 5.482 -18.344 2.443 1.00 40.33 C ATOM 488 O ASN A 744 5.205 -18.993 3.453 1.00 45.45 O ATOM 489 CB ASN A 744 7.838 -18.209 1.636 1.00 2.33 C ATOM 490 CG ASN A 744 8.944 -17.276 1.200 1.00 21.32 C ATOM 491 OD1 ASN A 744 9.939 -17.099 1.897 1.00 60.41 O ATOM 492 ND2 ASN A 744 8.773 -16.669 0.056 1.00 1.42 N ATOM 0 H ASN A 744 7.908 -17.773 4.080 1.00 70.40 H new ATOM 0 HA ASN A 744 6.488 -16.573 1.874 1.00 44.21 H new ATOM 0 HB2 ASN A 744 8.258 -18.995 2.264 1.00 2.33 H new ATOM 0 HB3 ASN A 744 7.412 -18.696 0.759 1.00 2.33 H new ATOM 0 HD21 ASN A 744 9.481 -16.020 -0.288 1.00 1.42 H new ATOM 0 HD22 ASN A 744 7.931 -16.844 -0.493 1.00 1.42 H new ATOM 499 N PRO A 745 4.689 -18.343 1.341 1.00 13.42 N ATOM 500 CA PRO A 745 3.433 -19.091 1.261 1.00 71.11 C ATOM 501 C PRO A 745 3.630 -20.592 1.410 1.00 50.13 C ATOM 502 O PRO A 745 3.307 -21.171 2.442 1.00 22.11 O ATOM 503 CB PRO A 745 2.902 -18.749 -0.153 1.00 53.54 C ATOM 504 CG PRO A 745 4.109 -18.293 -0.901 1.00 33.44 C ATOM 505 CD PRO A 745 4.957 -17.593 0.097 1.00 53.23 C ATOM 0 HA PRO A 745 2.750 -18.821 2.067 1.00 71.11 H new ATOM 0 HB2 PRO A 745 2.445 -19.618 -0.627 1.00 53.54 H new ATOM 0 HB3 PRO A 745 2.141 -17.970 -0.114 1.00 53.54 H new ATOM 0 HG2 PRO A 745 4.639 -19.137 -1.342 1.00 33.44 H new ATOM 0 HG3 PRO A 745 3.835 -17.626 -1.719 1.00 33.44 H new ATOM 0 HD2 PRO A 745 6.012 -17.626 -0.175 1.00 53.23 H new ATOM 0 HD3 PRO A 745 4.685 -16.542 0.192 1.00 53.23 H new ATOM 513 N LEU A 746 4.142 -21.198 0.397 1.00 35.23 N ATOM 514 CA LEU A 746 4.319 -22.619 0.381 1.00 14.31 C ATOM 515 C LEU A 746 5.705 -22.998 0.817 1.00 4.15 C ATOM 516 O LEU A 746 5.896 -23.956 1.573 1.00 12.24 O ATOM 517 CB LEU A 746 4.026 -23.158 -1.011 1.00 3.15 C ATOM 518 CG LEU A 746 4.360 -24.636 -1.269 1.00 62.10 C ATOM 519 CD1 LEU A 746 3.529 -25.540 -0.375 1.00 52.04 C ATOM 520 CD2 LEU A 746 4.140 -24.987 -2.733 1.00 31.20 C ATOM 0 H LEU A 746 4.453 -20.725 -0.451 1.00 35.23 H new ATOM 0 HA LEU A 746 3.619 -23.064 1.089 1.00 14.31 H new ATOM 0 HB2 LEU A 746 2.966 -23.009 -1.216 1.00 3.15 H new ATOM 0 HB3 LEU A 746 4.578 -22.555 -1.732 1.00 3.15 H new ATOM 0 HG LEU A 746 5.412 -24.793 -1.031 1.00 62.10 H new ATOM 0 HD11 LEU A 746 3.782 -26.581 -0.575 1.00 52.04 H new ATOM 0 HD12 LEU A 746 3.738 -25.310 0.670 1.00 52.04 H new ATOM 0 HD13 LEU A 746 2.470 -25.379 -0.578 1.00 52.04 H new ATOM 0 HD21 LEU A 746 4.382 -26.037 -2.896 1.00 31.20 H new ATOM 0 HD22 LEU A 746 3.097 -24.810 -2.997 1.00 31.20 H new ATOM 0 HD23 LEU A 746 4.783 -24.366 -3.357 1.00 31.20 H new HETATM 532 N PTR A 747 6.668 -22.247 0.366 1.00 73.00 N HETATM 533 CA PTR A 747 8.033 -22.573 0.587 1.00 70.34 C HETATM 534 C PTR A 747 8.869 -21.387 0.242 1.00 31.35 C HETATM 535 O PTR A 747 9.573 -20.833 1.068 1.00 20.00 O HETATM 536 CB PTR A 747 8.418 -23.724 -0.350 1.00 74.14 C HETATM 537 CG PTR A 747 9.640 -24.479 0.069 1.00 33.11 C HETATM 538 CD1 PTR A 747 10.856 -23.885 0.034 1.00 22.51 C HETATM 539 CD2 PTR A 747 9.563 -25.797 0.502 1.00 23.15 C HETATM 540 CE1 PTR A 747 11.994 -24.548 0.412 1.00 3.50 C HETATM 541 CE2 PTR A 747 10.699 -26.483 0.885 1.00 71.35 C HETATM 542 CZ PTR A 747 11.917 -25.845 0.837 1.00 13.32 C HETATM 543 OH PTR A 747 13.083 -26.525 1.226 1.00 38.28 O HETATM 544 P PTR A 747 14.479 -26.380 0.516 1.00 38.28 P HETATM 545 O1P PTR A 747 15.130 -27.751 0.470 1.00 38.28 O HETATM 546 O2P PTR A 747 14.234 -25.958 -0.955 1.00 38.28 O HETATM 547 O3P PTR A 747 15.139 -25.377 1.340 1.00 38.28 O HETATM 0 HE2 PTR A 747 10.631 -27.518 1.221 1.00 71.35 H new HETATM 0 HE1 PTR A 747 12.959 -24.042 0.374 1.00 3.50 H new HETATM 0 HD2 PTR A 747 8.594 -26.296 0.540 1.00 23.15 H new HETATM 0 HD1 PTR A 747 10.932 -22.852 -0.304 1.00 22.51 H new HETATM 0 HB3 PTR A 747 7.581 -24.419 -0.415 1.00 74.14 H new HETATM 0 HB2 PTR A 747 8.578 -23.323 -1.351 1.00 74.14 H new HETATM 0 HA PTR A 747 8.189 -22.859 1.627 1.00 70.34 H new HETATM 0 H PTR A 747 6.414 -21.320 0.025 1.00 73.00 H new ATOM 556 N LYS A 748 8.776 -21.012 -0.989 1.00 62.33 N ATOM 557 CA LYS A 748 9.501 -19.924 -1.530 1.00 10.35 C ATOM 558 C LYS A 748 8.523 -18.947 -2.153 1.00 44.21 C ATOM 559 O LYS A 748 7.315 -19.175 -2.119 1.00 33.11 O ATOM 560 CB LYS A 748 10.436 -20.444 -2.618 1.00 35.10 C ATOM 561 CG LYS A 748 11.541 -21.385 -2.154 1.00 61.42 C ATOM 562 CD LYS A 748 12.361 -20.813 -1.001 1.00 31.51 C ATOM 563 CE LYS A 748 13.496 -21.761 -0.641 1.00 43.34 C ATOM 564 NZ LYS A 748 14.060 -21.494 0.686 1.00 74.14 N ATOM 0 H LYS A 748 8.170 -21.475 -1.666 1.00 62.33 H new ATOM 0 HA LYS A 748 10.077 -19.432 -0.746 1.00 10.35 H new ATOM 0 HB2 LYS A 748 9.837 -20.961 -3.368 1.00 35.10 H new ATOM 0 HB3 LYS A 748 10.897 -19.589 -3.112 1.00 35.10 H new ATOM 0 HG2 LYS A 748 11.099 -22.332 -1.844 1.00 61.42 H new ATOM 0 HG3 LYS A 748 12.203 -21.601 -2.992 1.00 61.42 H new ATOM 0 HD2 LYS A 748 12.765 -19.840 -1.280 1.00 31.51 H new ATOM 0 HD3 LYS A 748 11.721 -20.655 -0.133 1.00 31.51 H new ATOM 0 HE2 LYS A 748 13.131 -22.787 -0.676 1.00 43.34 H new ATOM 0 HE3 LYS A 748 14.284 -21.678 -1.389 1.00 43.34 H new ATOM 0 HZ1 LYS A 748 14.965 -21.996 0.786 1.00 74.14 H new ATOM 0 HZ2 LYS A 748 14.217 -20.472 0.797 1.00 74.14 H new ATOM 0 HZ3 LYS A 748 13.398 -21.824 1.417 1.00 74.14 H new ATOM 578 N GLU A 749 9.026 -17.870 -2.696 1.00 31.32 N ATOM 579 CA GLU A 749 8.204 -16.958 -3.467 1.00 1.40 C ATOM 580 C GLU A 749 7.887 -17.574 -4.791 1.00 35.53 C ATOM 581 O GLU A 749 6.733 -17.648 -5.202 1.00 61.35 O ATOM 582 CB GLU A 749 8.899 -15.626 -3.661 1.00 55.14 C ATOM 583 CG GLU A 749 8.258 -14.747 -4.719 1.00 61.23 C ATOM 584 CD GLU A 749 8.901 -13.407 -4.807 1.00 45.33 C ATOM 585 OE1 GLU A 749 10.061 -13.332 -5.255 1.00 53.05 O ATOM 586 OE2 GLU A 749 8.257 -12.415 -4.430 1.00 31.15 O ATOM 0 H GLU A 749 10.006 -17.597 -2.621 1.00 31.32 H new ATOM 0 HA GLU A 749 7.280 -16.774 -2.919 1.00 1.40 H new ATOM 0 HB2 GLU A 749 8.906 -15.089 -2.712 1.00 55.14 H new ATOM 0 HB3 GLU A 749 9.939 -15.806 -3.933 1.00 55.14 H new ATOM 0 HG2 GLU A 749 8.323 -15.243 -5.688 1.00 61.23 H new ATOM 0 HG3 GLU A 749 7.199 -14.625 -4.493 1.00 61.23 H new ATOM 593 N ALA A 750 8.914 -18.047 -5.449 1.00 30.33 N ATOM 594 CA ALA A 750 8.783 -18.699 -6.725 1.00 2.41 C ATOM 595 C ALA A 750 8.427 -20.167 -6.519 1.00 2.23 C ATOM 596 O ALA A 750 8.850 -21.034 -7.266 1.00 12.00 O ATOM 597 CB ALA A 750 10.086 -18.568 -7.499 1.00 30.23 C ATOM 0 H ALA A 750 9.874 -17.989 -5.110 1.00 30.33 H new ATOM 0 HA ALA A 750 7.986 -18.226 -7.298 1.00 2.41 H new ATOM 0 HB1 ALA A 750 9.986 -19.062 -8.465 1.00 30.23 H new ATOM 0 HB2 ALA A 750 10.314 -17.513 -7.652 1.00 30.23 H new ATOM 0 HB3 ALA A 750 10.893 -19.035 -6.934 1.00 30.23 H new ATOM 603 N THR A 751 7.628 -20.418 -5.519 1.00 64.12 N ATOM 604 CA THR A 751 7.283 -21.741 -5.123 1.00 12.11 C ATOM 605 C THR A 751 6.255 -22.365 -6.087 1.00 42.24 C ATOM 606 O THR A 751 6.218 -23.575 -6.259 1.00 33.41 O ATOM 607 CB THR A 751 6.727 -21.746 -3.668 1.00 61.13 C ATOM 608 OG1 THR A 751 6.712 -23.065 -3.147 1.00 50.34 O ATOM 609 CG2 THR A 751 5.317 -21.149 -3.602 1.00 65.44 C ATOM 0 H THR A 751 7.194 -19.690 -4.951 1.00 64.12 H new ATOM 0 HA THR A 751 8.189 -22.346 -5.158 1.00 12.11 H new ATOM 0 HB THR A 751 7.389 -21.126 -3.064 1.00 61.13 H new ATOM 0 HG1 THR A 751 7.587 -23.482 -3.288 1.00 50.34 H new ATOM 0 HG21 THR A 751 4.961 -21.169 -2.572 1.00 65.44 H new ATOM 0 HG22 THR A 751 5.341 -20.119 -3.958 1.00 65.44 H new ATOM 0 HG23 THR A 751 4.644 -21.734 -4.229 1.00 65.44 H new ATOM 617 N SER A 752 5.429 -21.528 -6.701 1.00 70.05 N ATOM 618 CA SER A 752 4.450 -21.998 -7.642 1.00 45.51 C ATOM 619 C SER A 752 5.126 -22.425 -8.931 1.00 65.45 C ATOM 620 O SER A 752 4.832 -23.487 -9.478 1.00 75.24 O ATOM 621 CB SER A 752 3.410 -20.916 -7.915 1.00 54.21 C ATOM 622 OG SER A 752 2.845 -20.435 -6.691 1.00 24.14 O ATOM 0 H SER A 752 5.426 -20.518 -6.556 1.00 70.05 H new ATOM 0 HA SER A 752 3.941 -22.862 -7.214 1.00 45.51 H new ATOM 0 HB2 SER A 752 3.871 -20.090 -8.457 1.00 54.21 H new ATOM 0 HB3 SER A 752 2.621 -21.316 -8.553 1.00 54.21 H new ATOM 0 HG SER A 752 2.182 -19.741 -6.887 1.00 24.14 H new ATOM 628 N THR A 753 6.048 -21.602 -9.402 1.00 53.11 N ATOM 629 CA THR A 753 6.769 -21.893 -10.604 1.00 20.55 C ATOM 630 C THR A 753 7.848 -22.996 -10.361 1.00 71.41 C ATOM 631 O THR A 753 8.055 -23.877 -11.211 1.00 14.30 O ATOM 632 CB THR A 753 7.400 -20.587 -11.247 1.00 3.03 C ATOM 633 OG1 THR A 753 8.125 -20.910 -12.444 1.00 74.44 O ATOM 634 CG2 THR A 753 8.315 -19.854 -10.266 1.00 54.34 C ATOM 0 H THR A 753 6.308 -20.722 -8.957 1.00 53.11 H new ATOM 0 HA THR A 753 6.053 -22.285 -11.326 1.00 20.55 H new ATOM 0 HB THR A 753 6.574 -19.921 -11.497 1.00 3.03 H new ATOM 0 HG1 THR A 753 8.505 -20.092 -12.827 1.00 74.44 H new ATOM 0 HG21 THR A 753 8.726 -18.966 -10.746 1.00 54.34 H new ATOM 0 HG22 THR A 753 7.743 -19.559 -9.386 1.00 54.34 H new ATOM 0 HG23 THR A 753 9.129 -20.514 -9.965 1.00 54.34 H new ATOM 642 N PHE A 754 8.498 -22.952 -9.200 1.00 5.13 N ATOM 643 CA PHE A 754 9.474 -23.964 -8.827 1.00 34.32 C ATOM 644 C PHE A 754 9.177 -24.498 -7.428 1.00 75.01 C ATOM 645 O PHE A 754 9.574 -23.897 -6.428 1.00 74.02 O ATOM 646 CB PHE A 754 10.910 -23.398 -8.874 1.00 73.34 C ATOM 647 CG PHE A 754 11.316 -22.833 -10.208 1.00 1.20 C ATOM 648 CD1 PHE A 754 11.477 -23.658 -11.306 1.00 53.42 C ATOM 649 CD2 PHE A 754 11.535 -21.475 -10.358 1.00 13.03 C ATOM 650 CE1 PHE A 754 11.848 -23.140 -12.529 1.00 73.21 C ATOM 651 CE2 PHE A 754 11.907 -20.951 -11.578 1.00 40.52 C ATOM 652 CZ PHE A 754 12.065 -21.783 -12.666 1.00 3.04 C ATOM 0 H PHE A 754 8.363 -22.221 -8.501 1.00 5.13 H new ATOM 0 HA PHE A 754 9.400 -24.779 -9.547 1.00 34.32 H new ATOM 0 HB2 PHE A 754 11.004 -22.617 -8.119 1.00 73.34 H new ATOM 0 HB3 PHE A 754 11.608 -24.190 -8.602 1.00 73.34 H new ATOM 0 HD1 PHE A 754 11.310 -24.720 -11.205 1.00 53.42 H new ATOM 0 HD2 PHE A 754 11.413 -20.818 -9.510 1.00 13.03 H new ATOM 0 HE1 PHE A 754 11.969 -23.795 -13.379 1.00 73.21 H new ATOM 0 HE2 PHE A 754 12.075 -19.889 -11.681 1.00 40.52 H new ATOM 0 HZ PHE A 754 12.357 -21.375 -13.622 1.00 3.04 H new ATOM 662 N THR A 755 8.463 -25.592 -7.361 1.00 43.00 N ATOM 663 CA THR A 755 8.144 -26.204 -6.087 1.00 22.14 C ATOM 664 C THR A 755 9.291 -27.131 -5.623 1.00 22.20 C ATOM 665 O THR A 755 9.905 -26.902 -4.569 1.00 14.53 O ATOM 666 CB THR A 755 6.820 -26.998 -6.163 1.00 14.33 C ATOM 667 OG1 THR A 755 5.787 -26.152 -6.720 1.00 22.33 O ATOM 668 CG2 THR A 755 6.390 -27.457 -4.777 1.00 64.24 C ATOM 0 H THR A 755 8.088 -26.082 -8.173 1.00 43.00 H new ATOM 0 HA THR A 755 8.022 -25.403 -5.358 1.00 22.14 H new ATOM 0 HB THR A 755 6.974 -27.873 -6.794 1.00 14.33 H new ATOM 0 HG1 THR A 755 5.982 -25.215 -6.509 1.00 22.33 H new ATOM 0 HG21 THR A 755 5.456 -28.014 -4.852 1.00 64.24 H new ATOM 0 HG22 THR A 755 7.162 -28.098 -4.350 1.00 64.24 H new ATOM 0 HG23 THR A 755 6.244 -26.588 -4.135 1.00 64.24 H new ATOM 676 N ASN A 756 9.568 -28.156 -6.400 1.00 2.52 N ATOM 677 CA ASN A 756 10.664 -29.063 -6.111 1.00 11.11 C ATOM 678 C ASN A 756 11.137 -29.742 -7.373 1.00 74.11 C ATOM 679 O ASN A 756 10.522 -30.697 -7.842 1.00 43.41 O ATOM 680 CB ASN A 756 10.258 -30.120 -5.064 1.00 44.11 C ATOM 681 CG ASN A 756 11.414 -31.048 -4.693 1.00 71.20 C ATOM 682 OD1 ASN A 756 12.576 -30.646 -4.701 1.00 44.43 O ATOM 683 ND2 ASN A 756 11.104 -32.282 -4.387 1.00 12.23 N ATOM 0 H ASN A 756 9.045 -28.385 -7.245 1.00 2.52 H new ATOM 0 HA ASN A 756 11.481 -28.471 -5.698 1.00 11.11 H new ATOM 0 HB2 ASN A 756 9.897 -29.618 -4.167 1.00 44.11 H new ATOM 0 HB3 ASN A 756 9.430 -30.713 -5.453 1.00 44.11 H new ATOM 0 HD21 ASN A 756 11.838 -32.947 -4.144 1.00 12.23 H new ATOM 0 HD22 ASN A 756 10.128 -32.579 -4.391 1.00 12.23 H new ATOM 690 N ILE A 757 12.201 -29.234 -7.930 1.00 34.35 N ATOM 691 CA ILE A 757 12.790 -29.806 -9.106 1.00 12.12 C ATOM 692 C ILE A 757 14.238 -30.212 -8.836 1.00 63.22 C ATOM 693 O ILE A 757 14.812 -31.039 -9.550 1.00 11.23 O ATOM 694 CB ILE A 757 12.747 -28.824 -10.308 1.00 61.24 C ATOM 695 CG1 ILE A 757 13.454 -27.498 -9.961 1.00 71.44 C ATOM 696 CG2 ILE A 757 11.301 -28.576 -10.750 1.00 32.44 C ATOM 697 CD1 ILE A 757 13.571 -26.540 -11.128 1.00 2.32 C ATOM 0 H ILE A 757 12.685 -28.408 -7.579 1.00 34.35 H new ATOM 0 HA ILE A 757 12.203 -30.688 -9.362 1.00 12.12 H new ATOM 0 HB ILE A 757 13.283 -29.280 -11.140 1.00 61.24 H new ATOM 0 HG12 ILE A 757 12.909 -27.008 -9.154 1.00 71.44 H new ATOM 0 HG13 ILE A 757 14.452 -27.718 -9.583 1.00 71.44 H new ATOM 0 HG21 ILE A 757 11.292 -27.885 -11.593 1.00 32.44 H new ATOM 0 HG22 ILE A 757 10.845 -29.520 -11.049 1.00 32.44 H new ATOM 0 HG23 ILE A 757 10.736 -28.146 -9.923 1.00 32.44 H new ATOM 0 HD11 ILE A 757 14.079 -25.632 -10.804 1.00 2.32 H new ATOM 0 HD12 ILE A 757 14.143 -27.010 -11.928 1.00 2.32 H new ATOM 0 HD13 ILE A 757 12.575 -26.288 -11.493 1.00 2.32 H new ATOM 709 N THR A 758 14.827 -29.616 -7.820 1.00 4.43 N ATOM 710 CA THR A 758 16.172 -29.931 -7.429 1.00 12.14 C ATOM 711 C THR A 758 16.333 -29.760 -5.918 1.00 34.45 C ATOM 712 O THR A 758 16.463 -28.639 -5.411 1.00 74.13 O ATOM 713 CB THR A 758 17.194 -29.043 -8.160 1.00 14.24 C ATOM 714 OG1 THR A 758 16.922 -29.065 -9.577 1.00 34.43 O ATOM 715 CG2 THR A 758 18.612 -29.546 -7.920 1.00 44.20 C ATOM 0 H THR A 758 14.381 -28.900 -7.246 1.00 4.43 H new ATOM 0 HA THR A 758 16.363 -30.968 -7.704 1.00 12.14 H new ATOM 0 HB THR A 758 17.108 -28.027 -7.775 1.00 14.24 H new ATOM 0 HG1 THR A 758 17.571 -28.498 -10.044 1.00 34.43 H new ATOM 0 HG21 THR A 758 19.319 -28.904 -8.445 1.00 44.20 H new ATOM 0 HG22 THR A 758 18.829 -29.527 -6.852 1.00 44.20 H new ATOM 0 HG23 THR A 758 18.704 -30.567 -8.291 1.00 44.20 H new HETATM 723 N PTR A 759 16.308 -30.849 -5.229 1.00 71.31 N HETATM 724 CA PTR A 759 16.384 -30.859 -3.793 1.00 0.21 C HETATM 725 C PTR A 759 17.798 -31.178 -3.326 1.00 12.12 C HETATM 726 O PTR A 759 18.433 -32.131 -3.815 1.00 74.12 O HETATM 727 CB PTR A 759 15.377 -31.887 -3.215 1.00 22.04 C HETATM 728 CG PTR A 759 15.448 -32.058 -1.711 1.00 74.02 C HETATM 729 CD1 PTR A 759 16.007 -33.199 -1.150 1.00 40.23 C HETATM 730 CD2 PTR A 759 14.961 -31.083 -0.857 1.00 53.22 C HETATM 731 CE1 PTR A 759 16.081 -33.359 0.216 1.00 41.44 C HETATM 732 CE2 PTR A 759 15.030 -31.235 0.510 1.00 42.05 C HETATM 733 CZ PTR A 759 15.592 -32.375 1.042 1.00 12.41 C HETATM 734 OH PTR A 759 15.672 -32.528 2.425 1.00 38.28 O HETATM 735 P PTR A 759 14.626 -33.267 3.288 1.00 38.28 P HETATM 736 O1P PTR A 759 13.388 -33.539 2.439 1.00 38.28 O HETATM 737 O2P PTR A 759 15.230 -34.637 3.673 1.00 38.28 O HETATM 738 O3P PTR A 759 14.461 -32.346 4.392 1.00 38.28 O HETATM 0 HE2 PTR A 759 14.642 -30.457 1.168 1.00 42.05 H new HETATM 0 HE1 PTR A 759 16.525 -34.260 0.639 1.00 41.44 H new HETATM 0 HD2 PTR A 759 14.515 -30.180 -1.274 1.00 53.22 H new HETATM 0 HD1 PTR A 759 16.394 -33.982 -1.802 1.00 40.23 H new HETATM 0 HB3 PTR A 759 14.367 -31.579 -3.486 1.00 22.04 H new HETATM 0 HB2 PTR A 759 15.553 -32.854 -3.687 1.00 22.04 H new HETATM 0 HA PTR A 759 16.124 -29.866 -3.427 1.00 0.21 H new ATOM 747 N ARG A 760 18.286 -30.392 -2.409 1.00 30.35 N ATOM 748 CA ARG A 760 19.586 -30.594 -1.836 1.00 63.41 C ATOM 749 C ARG A 760 19.449 -30.964 -0.364 1.00 73.11 C ATOM 750 O ARG A 760 19.255 -30.093 0.495 1.00 73.40 O ATOM 751 CB ARG A 760 20.445 -29.326 -1.997 1.00 45.04 C ATOM 752 CG ARG A 760 21.855 -29.435 -1.429 1.00 35.22 C ATOM 753 CD ARG A 760 22.671 -30.511 -2.136 1.00 44.44 C ATOM 754 NE ARG A 760 24.040 -30.580 -1.607 1.00 52.52 N ATOM 755 CZ ARG A 760 24.886 -31.605 -1.794 1.00 54.41 C ATOM 756 NH1 ARG A 760 24.530 -32.642 -2.553 1.00 12.24 N ATOM 757 NH2 ARG A 760 26.094 -31.577 -1.233 1.00 54.43 N ATOM 0 H ARG A 760 17.787 -29.585 -2.034 1.00 30.35 H new ATOM 0 HA ARG A 760 20.082 -31.411 -2.359 1.00 63.41 H new ATOM 0 HB2 ARG A 760 20.513 -29.082 -3.057 1.00 45.04 H new ATOM 0 HB3 ARG A 760 19.935 -28.494 -1.511 1.00 45.04 H new ATOM 0 HG2 ARG A 760 22.360 -28.474 -1.525 1.00 35.22 H new ATOM 0 HG3 ARG A 760 21.801 -29.661 -0.364 1.00 35.22 H new ATOM 0 HD2 ARG A 760 22.183 -31.478 -2.015 1.00 44.44 H new ATOM 0 HD3 ARG A 760 22.703 -30.302 -3.205 1.00 44.44 H new ATOM 0 HE ARG A 760 24.373 -29.789 -1.056 1.00 52.52 H new ATOM 0 HH11 ARG A 760 23.611 -32.659 -2.995 1.00 12.24 H new ATOM 0 HH12 ARG A 760 25.177 -33.418 -2.692 1.00 12.24 H new ATOM 0 HH21 ARG A 760 26.373 -30.778 -0.663 1.00 54.43 H new ATOM 0 HH22 ARG A 760 26.739 -32.354 -1.373 1.00 54.43 H new ATOM 771 N GLY A 761 19.540 -32.229 -0.084 1.00 41.05 N ATOM 772 CA GLY A 761 19.371 -32.703 1.261 1.00 23.23 C ATOM 773 C GLY A 761 20.662 -32.751 2.015 1.00 74.42 C ATOM 774 O GLY A 761 21.165 -33.822 2.328 1.00 14.44 O ATOM 0 H GLY A 761 19.731 -32.957 -0.772 1.00 41.05 H new ATOM 0 HA2 GLY A 761 18.670 -32.054 1.787 1.00 23.23 H new ATOM 0 HA3 GLY A 761 18.929 -33.699 1.239 1.00 23.23 H new ATOM 778 N THR A 762 21.214 -31.607 2.285 1.00 34.42 N ATOM 779 CA THR A 762 22.439 -31.507 3.025 1.00 72.10 C ATOM 780 C THR A 762 22.484 -30.176 3.779 1.00 61.44 C ATOM 781 O THR A 762 22.763 -29.147 3.146 1.00 5.12 O ATOM 782 CB THR A 762 23.681 -31.624 2.090 1.00 2.43 C ATOM 783 OG1 THR A 762 23.578 -32.833 1.301 1.00 42.20 O ATOM 784 CG2 THR A 762 24.962 -31.672 2.908 1.00 51.25 C ATOM 785 OXT THR A 762 22.212 -30.170 4.999 1.00 38.28 O ATOM 0 H THR A 762 20.826 -30.709 1.997 1.00 34.42 H new ATOM 0 HA THR A 762 22.471 -32.333 3.735 1.00 72.10 H new ATOM 0 HB THR A 762 23.709 -30.752 1.437 1.00 2.43 H new ATOM 0 HG1 THR A 762 24.358 -32.907 0.712 1.00 42.20 H new ATOM 0 HG21 THR A 762 25.818 -31.754 2.239 1.00 51.25 H new ATOM 0 HG22 THR A 762 25.050 -30.761 3.500 1.00 51.25 H new ATOM 0 HG23 THR A 762 24.937 -32.536 3.572 1.00 51.25 H new TER 793 THR A 762