USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 754 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 797 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 739 SER OG : rot -53:sc= 0.873 USER MOD Set 2.2: A 782 THR OG1 : rot 117:sc= 2.63 USER MOD Set 3.1: A 752 THR OG1 : rot 80:sc= 0.989 USER MOD Set 3.2: A 771 LYS NZ :NH3+ -149:sc= -0.21 (180deg=-3.2!) USER MOD Set 4.1: A 748 GLN : amide:sc= -0.0431 K(o=-0.087,f=-0.98) USER MOD Set 4.2: A 776 ASN :FLIP amide:sc= -0.044 F(o=-0.67!,f=-0.087) USER MOD Set 5.1: A 732 LYS NZ :NH3+ -141:sc= 1.14 (180deg=0) USER MOD Set 5.2: A 816 GLN : amide:sc= 0.619 K(o=1.8,f=-9!) USER MOD Set 6.1: A 722 SER OG : rot 160:sc= -0.339 USER MOD Set 6.2: A 724 SER OG : rot 180:sc= 0.464 USER MOD Set 6.3: A 810 GLN :FLIP amide:sc= -0.0446 F(o=-1.2!,f=0.08) USER MOD Single : A 720 LYS NZ :NH3+ 167:sc= -0.0396 (180deg=-0.225) USER MOD Single : A 726 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1.07) USER MOD Single : A 728 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 729 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.0064) USER MOD Single : A 734 CYS SG : rot -40:sc= 1.22 USER MOD Single : A 738 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 740 SER OG : rot 180:sc= 0 USER MOD Single : A 746 LYS NZ :NH3+ 171:sc= -0.0071 (180deg=-0.0914) USER MOD Single : A 755 TYR OH : rot -83:sc= 0.321 USER MOD Single : A 760 THR OG1 : rot -5:sc= 0.12! USER MOD Single : A 766 LYS NZ :NH3+ -108:sc= -0.448 (180deg=-1.56!) USER MOD Single : A 767 THR OG1 : rot -69:sc= 1.24 USER MOD Single : A 774 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 775 THR OG1 : rot 180:sc= 0 USER MOD Single : A 778 TYR OH : rot 180:sc= 0 USER MOD Single : A 781 LYS NZ :NH3+ 167:sc=-0.00445 (180deg=-0.12) USER MOD Single : A 786 THR OG1 : rot 180:sc= 0.00306 USER MOD Single : A 787 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 791 TYR OH : rot -115:sc= 0.648 USER MOD Single : A 794 SER OG : rot 180:sc= 0 USER MOD Single : A 799 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 801 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 802 THR OG1 : rot -87:sc= 1.21 USER MOD Single : A 804 CYS SG : rot 180:sc= 0 USER MOD Single : A 809 SER OG : rot 180:sc= -0.0273 USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 720 -16.628 1.813 -6.247 1.00 0.00 N ATOM 42 CA LYS A 720 -15.437 1.120 -6.698 1.00 0.00 C ATOM 43 C LYS A 720 -14.310 1.370 -5.707 1.00 0.00 C ATOM 44 O LYS A 720 -13.627 2.392 -5.776 1.00 0.00 O ATOM 45 CB LYS A 720 -15.025 1.581 -8.094 1.00 0.00 C ATOM 46 CG LYS A 720 -16.088 1.356 -9.155 1.00 0.00 C ATOM 47 CD LYS A 720 -15.626 1.846 -10.520 1.00 0.00 C ATOM 48 CE LYS A 720 -14.422 1.062 -11.026 1.00 0.00 C ATOM 49 NZ LYS A 720 -14.727 -0.384 -11.195 1.00 0.00 N ATOM 0 HA LYS A 720 -15.651 0.053 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 720 -14.781 2.643 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 720 -14.117 1.054 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 720 -16.329 0.294 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 720 -17.003 1.876 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 720 -16.444 1.756 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 720 -15.371 2.904 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 720 -14.094 1.477 -11.979 1.00 0.00 H new ATOM 0 HE3 LYS A 720 -13.594 1.178 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 720 -13.967 -0.838 -11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 720 -14.799 -0.835 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 720 -15.629 -0.492 -11.702 1.00 0.00 H new ATOM 63 N PRO A 721 -14.107 0.441 -4.767 1.00 0.00 N ATOM 64 CA PRO A 721 -13.179 0.624 -3.666 1.00 0.00 C ATOM 65 C PRO A 721 -11.755 0.226 -4.036 1.00 0.00 C ATOM 66 O PRO A 721 -11.541 -0.674 -4.855 1.00 0.00 O ATOM 67 CB PRO A 721 -13.760 -0.293 -2.595 1.00 0.00 C ATOM 68 CG PRO A 721 -14.423 -1.407 -3.346 1.00 0.00 C ATOM 69 CD PRO A 721 -14.745 -0.884 -4.722 1.00 0.00 C ATOM 0 HA PRO A 721 -13.088 1.664 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 721 -12.979 -0.673 -1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 721 -14.475 0.239 -1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 721 -13.766 -2.274 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 721 -15.330 -1.730 -2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 721 -14.353 -1.541 -5.499 1.00 0.00 H new ATOM 0 HD3 PRO A 721 -15.821 -0.813 -4.878 1.00 0.00 H new ATOM 77 N SER A 722 -10.790 0.904 -3.428 1.00 0.00 N ATOM 78 CA SER A 722 -9.388 0.727 -3.765 1.00 0.00 C ATOM 79 C SER A 722 -8.535 1.633 -2.877 1.00 0.00 C ATOM 80 O SER A 722 -8.937 1.977 -1.769 1.00 0.00 O ATOM 81 CB SER A 722 -9.180 1.068 -5.247 1.00 0.00 C ATOM 82 OG SER A 722 -7.869 0.748 -5.688 1.00 0.00 O ATOM 0 H SER A 722 -10.958 1.589 -2.691 1.00 0.00 H new ATOM 0 HA SER A 722 -9.088 -0.307 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 722 -9.908 0.525 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 722 -9.366 2.130 -5.404 1.00 0.00 H new ATOM 0 HG SER A 722 -7.862 0.670 -6.665 1.00 0.00 H new ATOM 88 N ALA A 723 -7.362 2.008 -3.354 1.00 0.00 N ATOM 89 CA ALA A 723 -6.507 2.930 -2.637 1.00 0.00 C ATOM 90 C ALA A 723 -5.767 3.824 -3.623 1.00 0.00 C ATOM 91 O ALA A 723 -5.399 3.380 -4.708 1.00 0.00 O ATOM 92 CB ALA A 723 -5.537 2.180 -1.746 1.00 0.00 C ATOM 0 H ALA A 723 -6.979 1.684 -4.242 1.00 0.00 H new ATOM 0 HA ALA A 723 -7.125 3.559 -1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 723 -4.904 2.892 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 723 -6.094 1.583 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 723 -4.915 1.525 -2.356 1.00 0.00 H new ATOM 98 N SER A 724 -5.550 5.073 -3.247 1.00 0.00 N ATOM 99 CA SER A 724 -4.951 6.046 -4.142 1.00 0.00 C ATOM 100 C SER A 724 -3.792 6.715 -3.431 1.00 0.00 C ATOM 101 O SER A 724 -3.987 7.624 -2.621 1.00 0.00 O ATOM 102 CB SER A 724 -5.986 7.095 -4.552 1.00 0.00 C ATOM 103 OG SER A 724 -7.201 6.485 -4.959 1.00 0.00 O ATOM 0 H SER A 724 -5.781 5.438 -2.323 1.00 0.00 H new ATOM 0 HA SER A 724 -4.594 5.544 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.176 7.768 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 724 -5.590 7.702 -5.366 1.00 0.00 H new ATOM 0 HG SER A 724 -7.845 7.178 -5.215 1.00 0.00 H new ATOM 109 N LEU A 725 -2.590 6.255 -3.714 1.00 0.00 N ATOM 110 CA LEU A 725 -1.436 6.682 -2.969 1.00 0.00 C ATOM 111 C LEU A 725 -1.190 8.175 -3.153 1.00 0.00 C ATOM 112 O LEU A 725 -1.428 8.735 -4.227 1.00 0.00 O ATOM 113 CB LEU A 725 -0.205 5.895 -3.399 1.00 0.00 C ATOM 114 CG LEU A 725 -0.423 4.426 -3.792 1.00 0.00 C ATOM 115 CD1 LEU A 725 0.896 3.711 -3.785 1.00 0.00 C ATOM 116 CD2 LEU A 725 -1.404 3.708 -2.878 1.00 0.00 C ATOM 0 H LEU A 725 -2.393 5.584 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 725 -1.628 6.492 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 725 0.248 6.410 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 725 0.519 5.925 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 725 -0.859 4.417 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 725 0.746 2.668 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 725 1.570 4.184 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 725 1.332 3.761 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 725 -1.517 2.675 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 725 -1.028 3.725 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 725 -2.371 4.209 -2.917 1.00 0.00 H new ATOM 128 N LYS A 726 -0.712 8.805 -2.098 1.00 0.00 N ATOM 129 CA LYS A 726 -0.481 10.242 -2.089 1.00 0.00 C ATOM 130 C LYS A 726 0.998 10.542 -2.291 1.00 0.00 C ATOM 131 O LYS A 726 1.378 11.679 -2.567 1.00 0.00 O ATOM 132 CB LYS A 726 -0.958 10.857 -0.775 1.00 0.00 C ATOM 133 CG LYS A 726 -2.334 10.380 -0.354 1.00 0.00 C ATOM 134 CD LYS A 726 -2.932 11.264 0.728 1.00 0.00 C ATOM 135 CE LYS A 726 -3.424 12.579 0.146 1.00 0.00 C ATOM 136 NZ LYS A 726 -3.937 13.504 1.194 1.00 0.00 N ATOM 0 H LYS A 726 -0.472 8.339 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 726 -1.049 10.682 -2.908 1.00 0.00 H new ATOM 0 HB2 LYS A 726 -0.242 10.618 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 726 -0.972 11.942 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 726 -2.995 10.368 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 726 -2.268 9.355 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 726 -3.759 10.744 1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 726 -2.185 11.459 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 726 -2.610 13.062 -0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 726 -4.214 12.380 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 726 -4.515 14.246 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 726 -4.519 12.972 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 726 -3.136 13.941 1.693 1.00 0.00 H new ATOM 150 N LEU A 727 1.832 9.519 -2.137 1.00 0.00 N ATOM 151 CA LEU A 727 3.263 9.665 -2.364 1.00 0.00 C ATOM 152 C LEU A 727 3.512 9.749 -3.872 1.00 0.00 C ATOM 153 O LEU A 727 3.115 8.857 -4.622 1.00 0.00 O ATOM 154 CB LEU A 727 4.035 8.485 -1.747 1.00 0.00 C ATOM 155 CG LEU A 727 5.415 8.828 -1.159 1.00 0.00 C ATOM 156 CD1 LEU A 727 6.146 7.563 -0.746 1.00 0.00 C ATOM 157 CD2 LEU A 727 6.259 9.623 -2.140 1.00 0.00 C ATOM 0 H LEU A 727 1.541 8.582 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 727 3.620 10.576 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 727 3.423 8.046 -0.959 1.00 0.00 H new ATOM 0 HB3 LEU A 727 4.166 7.720 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 727 5.251 9.449 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 727 7.120 7.824 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 727 5.562 7.035 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 727 6.282 6.921 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 727 7.226 9.847 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 727 6.408 9.039 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 727 5.749 10.554 -2.387 1.00 0.00 H new ATOM 169 N HIS A 728 4.154 10.824 -4.311 1.00 0.00 N ATOM 170 CA HIS A 728 4.284 11.102 -5.738 1.00 0.00 C ATOM 171 C HIS A 728 5.509 10.436 -6.358 1.00 0.00 C ATOM 172 O HIS A 728 5.451 9.960 -7.492 1.00 0.00 O ATOM 173 CB HIS A 728 4.347 12.611 -5.994 1.00 0.00 C ATOM 174 CG HIS A 728 3.064 13.334 -5.719 1.00 0.00 C ATOM 175 ND1 HIS A 728 2.214 13.764 -6.715 1.00 0.00 N ATOM 176 CD2 HIS A 728 2.493 13.716 -4.555 1.00 0.00 C ATOM 177 CE1 HIS A 728 1.180 14.378 -6.174 1.00 0.00 C ATOM 178 NE2 HIS A 728 1.324 14.364 -4.863 1.00 0.00 N ATOM 0 H HIS A 728 4.592 11.516 -3.703 1.00 0.00 H new ATOM 0 HA HIS A 728 3.398 10.681 -6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 728 5.134 13.041 -5.374 1.00 0.00 H new ATOM 0 HB3 HIS A 728 4.631 12.781 -7.033 1.00 0.00 H new ATOM 0 HD2 HIS A 728 2.885 13.543 -3.564 1.00 0.00 H new ATOM 0 HE1 HIS A 728 0.354 14.818 -6.713 1.00 0.00 H new ATOM 0 HE2 HIS A 728 0.673 14.768 -4.189 1.00 0.00 H new ATOM 187 N HIS A 729 6.613 10.399 -5.628 1.00 0.00 N ATOM 188 CA HIS A 729 7.873 9.937 -6.204 1.00 0.00 C ATOM 189 C HIS A 729 8.506 8.826 -5.375 1.00 0.00 C ATOM 190 O HIS A 729 7.926 8.367 -4.394 1.00 0.00 O ATOM 191 CB HIS A 729 8.865 11.099 -6.377 1.00 0.00 C ATOM 192 CG HIS A 729 9.327 11.712 -5.089 1.00 0.00 C ATOM 193 ND1 HIS A 729 10.654 11.826 -4.738 1.00 0.00 N ATOM 194 CD2 HIS A 729 8.625 12.259 -4.074 1.00 0.00 C ATOM 195 CE1 HIS A 729 10.744 12.416 -3.561 1.00 0.00 C ATOM 196 NE2 HIS A 729 9.526 12.690 -3.136 1.00 0.00 N ATOM 0 H HIS A 729 6.666 10.678 -4.648 1.00 0.00 H new ATOM 0 HA HIS A 729 7.638 9.529 -7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 729 9.735 10.740 -6.928 1.00 0.00 H new ATOM 0 HB3 HIS A 729 8.398 11.872 -6.987 1.00 0.00 H new ATOM 0 HD2 HIS A 729 7.550 12.342 -4.013 1.00 0.00 H new ATOM 0 HE1 HIS A 729 11.661 12.637 -3.035 1.00 0.00 H new ATOM 0 HE2 HIS A 729 9.293 13.147 -2.254 1.00 0.00 H new ATOM 205 N ASP A 730 9.690 8.398 -5.793 1.00 0.00 N ATOM 206 CA ASP A 730 10.437 7.359 -5.094 1.00 0.00 C ATOM 207 C ASP A 730 10.787 7.785 -3.674 1.00 0.00 C ATOM 208 O ASP A 730 11.038 8.962 -3.392 1.00 0.00 O ATOM 209 CB ASP A 730 11.715 7.015 -5.863 1.00 0.00 C ATOM 210 CG ASP A 730 12.586 8.230 -6.116 1.00 0.00 C ATOM 211 OD1 ASP A 730 12.194 9.079 -6.943 1.00 0.00 O ATOM 212 OD2 ASP A 730 13.668 8.340 -5.505 1.00 0.00 O ATOM 0 H ASP A 730 10.159 8.760 -6.623 1.00 0.00 H new ATOM 0 HA ASP A 730 9.801 6.476 -5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 730 12.285 6.274 -5.302 1.00 0.00 H new ATOM 0 HB3 ASP A 730 11.450 6.558 -6.816 1.00 0.00 H new ATOM 217 N LEU A 731 10.787 6.811 -2.788 1.00 0.00 N ATOM 218 CA LEU A 731 11.047 7.037 -1.382 1.00 0.00 C ATOM 219 C LEU A 731 12.444 6.556 -1.002 1.00 0.00 C ATOM 220 O LEU A 731 12.703 5.359 -0.947 1.00 0.00 O ATOM 221 CB LEU A 731 9.981 6.320 -0.565 1.00 0.00 C ATOM 222 CG LEU A 731 10.064 6.529 0.934 1.00 0.00 C ATOM 223 CD1 LEU A 731 10.234 8.003 1.274 1.00 0.00 C ATOM 224 CD2 LEU A 731 8.821 5.977 1.606 1.00 0.00 C ATOM 0 H LEU A 731 10.606 5.835 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 731 11.006 8.106 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 731 9.001 6.651 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 731 10.047 5.252 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 731 10.939 5.994 1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 731 10.291 8.123 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 731 11.151 8.378 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 731 9.382 8.565 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 731 8.890 6.132 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 731 7.940 6.491 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 731 8.738 4.910 1.398 1.00 0.00 H new ATOM 236 N LYS A 732 13.334 7.503 -0.739 1.00 0.00 N ATOM 237 CA LYS A 732 14.736 7.202 -0.456 1.00 0.00 C ATOM 238 C LYS A 732 14.930 6.673 0.965 1.00 0.00 C ATOM 239 O LYS A 732 14.577 7.339 1.940 1.00 0.00 O ATOM 240 CB LYS A 732 15.583 8.461 -0.655 1.00 0.00 C ATOM 241 CG LYS A 732 15.663 8.925 -2.102 1.00 0.00 C ATOM 242 CD LYS A 732 16.572 8.031 -2.931 1.00 0.00 C ATOM 243 CE LYS A 732 18.031 8.194 -2.528 1.00 0.00 C ATOM 244 NZ LYS A 732 18.930 7.311 -3.313 1.00 0.00 N ATOM 0 H LYS A 732 13.109 8.498 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 732 15.054 6.422 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 732 15.169 9.266 -0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 732 16.592 8.271 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 732 14.664 8.932 -2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 732 16.032 9.950 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 732 16.273 6.990 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 732 16.456 8.272 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 732 18.331 9.232 -2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 732 18.141 7.971 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 732 19.674 6.933 -2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 732 18.380 6.525 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 732 19.367 7.857 -4.083 1.00 0.00 H new ATOM 258 N LEU A 733 15.492 5.473 1.070 1.00 0.00 N ATOM 259 CA LEU A 733 15.815 4.872 2.360 1.00 0.00 C ATOM 260 C LEU A 733 17.227 4.312 2.355 1.00 0.00 C ATOM 261 O LEU A 733 17.833 4.124 1.298 1.00 0.00 O ATOM 262 CB LEU A 733 14.852 3.733 2.703 1.00 0.00 C ATOM 263 CG LEU A 733 13.381 4.119 2.857 1.00 0.00 C ATOM 264 CD1 LEU A 733 12.566 2.896 3.229 1.00 0.00 C ATOM 265 CD2 LEU A 733 13.210 5.204 3.912 1.00 0.00 C ATOM 0 H LEU A 733 15.735 4.892 0.268 1.00 0.00 H new ATOM 0 HA LEU A 733 15.726 5.661 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 733 14.928 2.974 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 733 15.184 3.271 3.633 1.00 0.00 H new ATOM 0 HG LEU A 733 13.026 4.513 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 733 11.518 3.176 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 733 12.661 2.144 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 733 12.932 2.488 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 733 12.154 5.461 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 733 13.578 4.840 4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 733 13.775 6.089 3.619 1.00 0.00 H new ATOM 277 N CYS A 734 17.740 4.044 3.542 1.00 0.00 N ATOM 278 CA CYS A 734 19.011 3.365 3.696 1.00 0.00 C ATOM 279 C CYS A 734 18.780 2.026 4.380 1.00 0.00 C ATOM 280 O CYS A 734 17.639 1.624 4.595 1.00 0.00 O ATOM 281 CB CYS A 734 19.997 4.233 4.487 1.00 0.00 C ATOM 282 SG CYS A 734 19.444 4.674 6.151 1.00 0.00 S ATOM 0 H CYS A 734 17.288 4.290 4.423 1.00 0.00 H new ATOM 0 HA CYS A 734 19.452 3.189 2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 734 20.947 3.704 4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 734 20.186 5.149 3.926 1.00 0.00 H new ATOM 0 HG CYS A 734 18.175 4.955 6.126 1.00 0.00 H new ATOM 288 N LEU A 735 19.846 1.329 4.707 1.00 0.00 N ATOM 289 CA LEU A 735 19.729 0.000 5.266 1.00 0.00 C ATOM 290 C LEU A 735 19.092 0.008 6.642 1.00 0.00 C ATOM 291 O LEU A 735 19.404 0.841 7.498 1.00 0.00 O ATOM 292 CB LEU A 735 21.092 -0.668 5.293 1.00 0.00 C ATOM 293 CG LEU A 735 21.300 -1.748 6.354 1.00 0.00 C ATOM 294 CD1 LEU A 735 20.507 -2.994 6.017 1.00 0.00 C ATOM 295 CD2 LEU A 735 22.773 -2.072 6.479 1.00 0.00 C ATOM 0 H LEU A 735 20.804 1.661 4.595 1.00 0.00 H new ATOM 0 HA LEU A 735 19.063 -0.577 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 735 21.274 -1.112 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 735 21.848 0.104 5.439 1.00 0.00 H new ATOM 0 HG LEU A 735 20.940 -1.370 7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 735 20.671 -3.749 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 735 19.446 -2.748 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 735 20.833 -3.383 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 735 22.913 -2.843 7.237 1.00 0.00 H new ATOM 0 HD22 LEU A 735 23.149 -2.433 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 735 23.320 -1.175 6.769 1.00 0.00 H new ATOM 307 N GLY A 736 18.172 -0.926 6.823 1.00 0.00 N ATOM 308 CA GLY A 736 17.487 -1.067 8.089 1.00 0.00 C ATOM 309 C GLY A 736 16.345 -0.090 8.219 1.00 0.00 C ATOM 310 O GLY A 736 15.706 0.002 9.269 1.00 0.00 O ATOM 0 H GLY A 736 17.886 -1.595 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 736 17.108 -2.084 8.186 1.00 0.00 H new ATOM 0 HA3 GLY A 736 18.194 -0.911 8.904 1.00 0.00 H new ATOM 314 N ASP A 737 16.094 0.649 7.152 1.00 0.00 N ATOM 315 CA ASP A 737 15.022 1.641 7.158 1.00 0.00 C ATOM 316 C ASP A 737 13.657 1.023 6.884 1.00 0.00 C ATOM 317 O ASP A 737 13.540 0.010 6.196 1.00 0.00 O ATOM 318 CB ASP A 737 15.280 2.736 6.127 1.00 0.00 C ATOM 319 CG ASP A 737 15.956 3.957 6.710 1.00 0.00 C ATOM 320 OD1 ASP A 737 15.855 4.174 7.936 1.00 0.00 O ATOM 321 OD2 ASP A 737 16.576 4.720 5.942 1.00 0.00 O ATOM 0 H ASP A 737 16.611 0.585 6.275 1.00 0.00 H new ATOM 0 HA ASP A 737 15.014 2.069 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 737 15.900 2.333 5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 737 14.333 3.033 5.678 1.00 0.00 H new ATOM 326 N HIS A 738 12.632 1.648 7.442 1.00 0.00 N ATOM 327 CA HIS A 738 11.254 1.337 7.113 1.00 0.00 C ATOM 328 C HIS A 738 10.678 2.557 6.411 1.00 0.00 C ATOM 329 O HIS A 738 11.218 3.655 6.552 1.00 0.00 O ATOM 330 CB HIS A 738 10.444 0.992 8.376 1.00 0.00 C ATOM 331 CG HIS A 738 10.094 2.166 9.244 1.00 0.00 C ATOM 332 ND1 HIS A 738 10.962 2.720 10.158 1.00 0.00 N ATOM 333 CD2 HIS A 738 8.954 2.896 9.323 1.00 0.00 C ATOM 334 CE1 HIS A 738 10.374 3.736 10.762 1.00 0.00 C ATOM 335 NE2 HIS A 738 9.156 3.862 10.274 1.00 0.00 N ATOM 0 H HIS A 738 12.735 2.387 8.138 1.00 0.00 H new ATOM 0 HA HIS A 738 11.204 0.461 6.466 1.00 0.00 H new ATOM 0 HB2 HIS A 738 9.522 0.495 8.074 1.00 0.00 H new ATOM 0 HB3 HIS A 738 11.012 0.276 8.970 1.00 0.00 H new ATOM 0 HD2 HIS A 738 8.055 2.744 8.744 1.00 0.00 H new ATOM 0 HE1 HIS A 738 10.816 4.358 11.526 1.00 0.00 H new ATOM 0 HE2 HIS A 738 8.474 4.565 10.558 1.00 0.00 H new ATOM 344 N SER A 739 9.598 2.395 5.675 1.00 0.00 N ATOM 345 CA SER A 739 9.118 3.497 4.850 1.00 0.00 C ATOM 346 C SER A 739 7.733 3.960 5.275 1.00 0.00 C ATOM 347 O SER A 739 7.075 3.326 6.102 1.00 0.00 O ATOM 348 CB SER A 739 9.114 3.102 3.372 1.00 0.00 C ATOM 349 OG SER A 739 7.858 2.596 2.967 1.00 0.00 O ATOM 0 H SER A 739 9.046 1.539 5.626 1.00 0.00 H new ATOM 0 HA SER A 739 9.805 4.331 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 739 9.370 3.969 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 739 9.883 2.350 3.195 1.00 0.00 H new ATOM 0 HG SER A 739 7.587 1.872 3.569 1.00 0.00 H new ATOM 355 N SER A 740 7.313 5.084 4.715 1.00 0.00 N ATOM 356 CA SER A 740 6.001 5.638 4.977 1.00 0.00 C ATOM 357 C SER A 740 5.431 6.264 3.706 1.00 0.00 C ATOM 358 O SER A 740 5.814 7.367 3.308 1.00 0.00 O ATOM 359 CB SER A 740 6.077 6.662 6.109 1.00 0.00 C ATOM 360 OG SER A 740 6.584 6.059 7.290 1.00 0.00 O ATOM 0 H SER A 740 7.875 5.635 4.066 1.00 0.00 H new ATOM 0 HA SER A 740 5.332 4.837 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 740 6.718 7.493 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 740 5.087 7.076 6.301 1.00 0.00 H new ATOM 0 HG SER A 740 6.628 6.727 8.005 1.00 0.00 H new ATOM 366 N VAL A 741 4.534 5.536 3.068 1.00 0.00 N ATOM 367 CA VAL A 741 3.876 5.996 1.858 1.00 0.00 C ATOM 368 C VAL A 741 2.422 6.322 2.162 1.00 0.00 C ATOM 369 O VAL A 741 1.614 5.436 2.441 1.00 0.00 O ATOM 370 CB VAL A 741 3.983 4.950 0.719 1.00 0.00 C ATOM 371 CG1 VAL A 741 3.791 3.540 1.247 1.00 0.00 C ATOM 372 CG2 VAL A 741 2.980 5.240 -0.388 1.00 0.00 C ATOM 0 H VAL A 741 4.240 4.608 3.374 1.00 0.00 H new ATOM 0 HA VAL A 741 4.380 6.898 1.512 1.00 0.00 H new ATOM 0 HB VAL A 741 4.987 5.025 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 741 3.872 2.829 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 741 4.557 3.323 1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 741 2.806 3.454 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 741 3.078 4.490 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 741 1.969 5.209 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 741 3.173 6.229 -0.804 1.00 0.00 H new ATOM 382 N PRO A 742 2.077 7.611 2.149 1.00 0.00 N ATOM 383 CA PRO A 742 0.735 8.057 2.476 1.00 0.00 C ATOM 384 C PRO A 742 -0.250 7.716 1.371 1.00 0.00 C ATOM 385 O PRO A 742 0.018 7.978 0.207 1.00 0.00 O ATOM 386 CB PRO A 742 0.870 9.572 2.666 1.00 0.00 C ATOM 387 CG PRO A 742 2.328 9.887 2.507 1.00 0.00 C ATOM 388 CD PRO A 742 2.957 8.726 1.800 1.00 0.00 C ATOM 0 HA PRO A 742 0.343 7.566 3.367 1.00 0.00 H new ATOM 0 HB2 PRO A 742 0.273 10.111 1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 742 0.512 9.874 3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 742 2.463 10.805 1.935 1.00 0.00 H new ATOM 0 HG3 PRO A 742 2.796 10.045 3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 742 2.999 8.885 0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 742 3.979 8.554 2.137 1.00 0.00 H new ATOM 396 N VAL A 743 -1.361 7.081 1.729 1.00 0.00 N ATOM 397 CA VAL A 743 -2.359 6.684 0.743 1.00 0.00 C ATOM 398 C VAL A 743 -3.774 7.107 1.136 1.00 0.00 C ATOM 399 O VAL A 743 -4.300 6.691 2.160 1.00 0.00 O ATOM 400 CB VAL A 743 -2.359 5.167 0.530 1.00 0.00 C ATOM 401 CG1 VAL A 743 -3.333 4.807 -0.567 1.00 0.00 C ATOM 402 CG2 VAL A 743 -0.959 4.641 0.244 1.00 0.00 C ATOM 0 H VAL A 743 -1.592 6.831 2.690 1.00 0.00 H new ATOM 0 HA VAL A 743 -2.079 7.196 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 743 -2.685 4.684 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 743 -3.330 3.727 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 743 -4.335 5.132 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 743 -3.038 5.302 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 743 -0.999 3.561 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 743 -0.569 5.115 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 743 -0.305 4.870 1.086 1.00 0.00 H new ATOM 412 N ALA A 744 -4.386 7.930 0.304 1.00 0.00 N ATOM 413 CA ALA A 744 -5.796 8.249 0.440 1.00 0.00 C ATOM 414 C ALA A 744 -6.613 7.171 -0.245 1.00 0.00 C ATOM 415 O ALA A 744 -6.508 6.961 -1.448 1.00 0.00 O ATOM 416 CB ALA A 744 -6.101 9.618 -0.129 1.00 0.00 C ATOM 0 H ALA A 744 -3.924 8.393 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 744 -6.061 8.279 1.497 1.00 0.00 H new ATOM 0 HB1 ALA A 744 -7.164 9.831 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 744 -5.520 10.371 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 744 -5.839 9.639 -1.187 1.00 0.00 H new ATOM 422 N LEU A 745 -7.423 6.489 0.528 1.00 0.00 N ATOM 423 CA LEU A 745 -8.018 5.244 0.087 1.00 0.00 C ATOM 424 C LEU A 745 -9.405 5.452 -0.489 1.00 0.00 C ATOM 425 O LEU A 745 -10.131 6.363 -0.091 1.00 0.00 O ATOM 426 CB LEU A 745 -8.062 4.285 1.261 1.00 0.00 C ATOM 427 CG LEU A 745 -6.790 4.305 2.099 1.00 0.00 C ATOM 428 CD1 LEU A 745 -7.108 4.683 3.530 1.00 0.00 C ATOM 429 CD2 LEU A 745 -6.088 2.965 2.030 1.00 0.00 C ATOM 0 H LEU A 745 -7.688 6.774 1.471 1.00 0.00 H new ATOM 0 HA LEU A 745 -7.407 4.827 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 745 -8.912 4.536 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 745 -8.229 3.274 0.890 1.00 0.00 H new ATOM 0 HG LEU A 745 -6.115 5.058 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 745 -6.189 4.693 4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 745 -7.563 5.673 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 745 -7.801 3.955 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 745 -5.181 2.998 2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 745 -6.750 2.187 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 745 -5.826 2.744 0.995 1.00 0.00 H new ATOM 441 N LYS A 746 -9.765 4.586 -1.415 1.00 0.00 N ATOM 442 CA LYS A 746 -11.028 4.687 -2.104 1.00 0.00 C ATOM 443 C LYS A 746 -11.992 3.623 -1.606 1.00 0.00 C ATOM 444 O LYS A 746 -11.595 2.510 -1.266 1.00 0.00 O ATOM 445 CB LYS A 746 -10.816 4.567 -3.599 1.00 0.00 C ATOM 446 CG LYS A 746 -12.067 4.828 -4.431 1.00 0.00 C ATOM 447 CD LYS A 746 -12.624 6.232 -4.216 1.00 0.00 C ATOM 448 CE LYS A 746 -11.653 7.315 -4.670 1.00 0.00 C ATOM 449 NZ LYS A 746 -11.400 7.270 -6.133 1.00 0.00 N ATOM 0 H LYS A 746 -9.190 3.796 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 746 -11.466 5.663 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 746 -10.039 5.269 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 746 -10.447 3.566 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 746 -11.834 4.690 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 746 -12.831 4.094 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 746 -13.562 6.336 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 746 -12.853 6.372 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS A 746 -12.053 8.293 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 746 -10.709 7.200 -4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 746 -10.859 8.111 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 746 -10.857 6.414 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 746 -12.307 7.253 -6.642 1.00 0.00 H new ATOM 463 N GLY A 747 -13.256 3.970 -1.592 1.00 0.00 N ATOM 464 CA GLY A 747 -14.266 3.099 -1.017 1.00 0.00 C ATOM 465 C GLY A 747 -14.816 3.681 0.265 1.00 0.00 C ATOM 466 O GLY A 747 -14.055 4.161 1.103 1.00 0.00 O ATOM 0 H GLY A 747 -13.615 4.847 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 747 -15.076 2.954 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 747 -13.835 2.117 -0.820 1.00 0.00 H new ATOM 470 N GLN A 748 -16.131 3.647 0.427 1.00 0.00 N ATOM 471 CA GLN A 748 -16.761 4.343 1.542 1.00 0.00 C ATOM 472 C GLN A 748 -17.405 3.363 2.516 1.00 0.00 C ATOM 473 O GLN A 748 -18.457 2.789 2.230 1.00 0.00 O ATOM 474 CB GLN A 748 -17.821 5.328 1.034 1.00 0.00 C ATOM 475 CG GLN A 748 -17.448 6.051 -0.258 1.00 0.00 C ATOM 476 CD GLN A 748 -16.121 6.782 -0.181 1.00 0.00 C ATOM 477 OE1 GLN A 748 -15.717 7.262 0.876 1.00 0.00 O ATOM 478 NE2 GLN A 748 -15.439 6.879 -1.315 1.00 0.00 N ATOM 0 H GLN A 748 -16.776 3.152 -0.190 1.00 0.00 H new ATOM 0 HA GLN A 748 -15.979 4.892 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -18.754 4.788 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -18.010 6.071 1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -17.408 5.327 -1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -18.233 6.765 -0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -15.811 6.466 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -14.543 7.366 -1.331 1.00 0.00 H new ATOM 487 N GLY A 749 -16.776 3.186 3.666 1.00 0.00 N ATOM 488 CA GLY A 749 -17.282 2.263 4.661 1.00 0.00 C ATOM 489 C GLY A 749 -16.208 1.315 5.126 1.00 0.00 C ATOM 490 O GLY A 749 -15.057 1.458 4.733 1.00 0.00 O ATOM 0 H GLY A 749 -15.917 3.669 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 749 -17.671 2.821 5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 749 -18.114 1.696 4.244 1.00 0.00 H new ATOM 494 N PRO A 750 -16.547 0.343 5.978 1.00 0.00 N ATOM 495 CA PRO A 750 -15.583 -0.633 6.479 1.00 0.00 C ATOM 496 C PRO A 750 -15.096 -1.576 5.381 1.00 0.00 C ATOM 497 O PRO A 750 -15.712 -2.607 5.105 1.00 0.00 O ATOM 498 CB PRO A 750 -16.371 -1.406 7.547 1.00 0.00 C ATOM 499 CG PRO A 750 -17.581 -0.575 7.818 1.00 0.00 C ATOM 500 CD PRO A 750 -17.883 0.130 6.536 1.00 0.00 C ATOM 0 HA PRO A 750 -14.682 -0.156 6.866 1.00 0.00 H new ATOM 0 HB2 PRO A 750 -16.647 -2.399 7.191 1.00 0.00 H new ATOM 0 HB3 PRO A 750 -15.778 -1.544 8.451 1.00 0.00 H new ATOM 0 HG2 PRO A 750 -18.421 -1.196 8.130 1.00 0.00 H new ATOM 0 HG3 PRO A 750 -17.395 0.137 8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 750 -18.508 -0.473 5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 750 -18.409 1.070 6.702 1.00 0.00 H new ATOM 508 N PHE A 751 -13.982 -1.216 4.765 1.00 0.00 N ATOM 509 CA PHE A 751 -13.397 -2.019 3.704 1.00 0.00 C ATOM 510 C PHE A 751 -12.101 -2.679 4.165 1.00 0.00 C ATOM 511 O PHE A 751 -11.312 -2.074 4.886 1.00 0.00 O ATOM 512 CB PHE A 751 -13.129 -1.150 2.471 1.00 0.00 C ATOM 513 CG PHE A 751 -14.360 -0.839 1.665 1.00 0.00 C ATOM 514 CD1 PHE A 751 -15.119 0.292 1.919 1.00 0.00 C ATOM 515 CD2 PHE A 751 -14.755 -1.684 0.643 1.00 0.00 C ATOM 516 CE1 PHE A 751 -16.246 0.567 1.171 1.00 0.00 C ATOM 517 CE2 PHE A 751 -15.881 -1.410 -0.108 1.00 0.00 C ATOM 518 CZ PHE A 751 -16.627 -0.283 0.157 1.00 0.00 C ATOM 0 H PHE A 751 -13.462 -0.366 4.984 1.00 0.00 H new ATOM 0 HA PHE A 751 -14.107 -2.804 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 751 -12.670 -0.214 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 751 -12.406 -1.657 1.831 1.00 0.00 H new ATOM 0 HD1 PHE A 751 -14.826 0.966 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 751 -14.175 -2.570 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 751 -16.830 1.451 1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 751 -16.176 -2.079 -0.903 1.00 0.00 H new ATOM 0 HZ PHE A 751 -17.508 -0.067 -0.429 1.00 0.00 H new ATOM 528 N THR A 752 -11.889 -3.925 3.764 1.00 0.00 N ATOM 529 CA THR A 752 -10.650 -4.617 4.088 1.00 0.00 C ATOM 530 C THR A 752 -9.623 -4.378 2.991 1.00 0.00 C ATOM 531 O THR A 752 -9.682 -4.975 1.919 1.00 0.00 O ATOM 532 CB THR A 752 -10.873 -6.128 4.326 1.00 0.00 C ATOM 533 OG1 THR A 752 -11.704 -6.319 5.480 1.00 0.00 O ATOM 534 CG2 THR A 752 -9.550 -6.843 4.531 1.00 0.00 C ATOM 0 H THR A 752 -12.553 -4.474 3.218 1.00 0.00 H new ATOM 0 HA THR A 752 -10.270 -4.208 5.024 1.00 0.00 H new ATOM 0 HB THR A 752 -11.362 -6.546 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 752 -12.642 -6.176 5.235 1.00 0.00 H new ATOM 0 HG21 THR A 752 -9.732 -7.905 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 752 -8.927 -6.715 3.646 1.00 0.00 H new ATOM 0 HG23 THR A 752 -9.040 -6.423 5.398 1.00 0.00 H new ATOM 542 N LEU A 753 -8.688 -3.491 3.280 1.00 0.00 N ATOM 543 CA LEU A 753 -7.766 -2.980 2.288 1.00 0.00 C ATOM 544 C LEU A 753 -6.470 -3.788 2.290 1.00 0.00 C ATOM 545 O LEU A 753 -5.807 -3.915 3.316 1.00 0.00 O ATOM 546 CB LEU A 753 -7.501 -1.504 2.599 1.00 0.00 C ATOM 547 CG LEU A 753 -6.833 -0.674 1.504 1.00 0.00 C ATOM 548 CD1 LEU A 753 -5.378 -0.432 1.846 1.00 0.00 C ATOM 549 CD2 LEU A 753 -6.957 -1.328 0.136 1.00 0.00 C ATOM 0 H LEU A 753 -8.548 -3.105 4.214 1.00 0.00 H new ATOM 0 HA LEU A 753 -8.197 -3.072 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -8.453 -1.034 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -6.877 -1.452 3.491 1.00 0.00 H new ATOM 0 HG LEU A 753 -7.353 0.283 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -4.913 0.160 1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -5.311 0.106 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -4.861 -1.388 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -6.468 -0.703 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -6.481 -2.308 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -8.011 -1.441 -0.119 1.00 0.00 H new ATOM 561 N THR A 754 -6.124 -4.344 1.136 1.00 0.00 N ATOM 562 CA THR A 754 -4.940 -5.177 1.004 1.00 0.00 C ATOM 563 C THR A 754 -3.956 -4.587 -0.008 1.00 0.00 C ATOM 564 O THR A 754 -4.365 -4.086 -1.058 1.00 0.00 O ATOM 565 CB THR A 754 -5.323 -6.584 0.538 1.00 0.00 C ATOM 566 OG1 THR A 754 -6.619 -6.932 1.048 1.00 0.00 O ATOM 567 CG2 THR A 754 -4.298 -7.579 1.032 1.00 0.00 C ATOM 0 H THR A 754 -6.653 -4.230 0.272 1.00 0.00 H new ATOM 0 HA THR A 754 -4.467 -5.221 1.985 1.00 0.00 H new ATOM 0 HB THR A 754 -5.351 -6.604 -0.551 1.00 0.00 H new ATOM 0 HG1 THR A 754 -6.859 -7.833 0.745 1.00 0.00 H new ATOM 0 HG21 THR A 754 -4.573 -8.580 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 754 -3.317 -7.320 0.632 1.00 0.00 H new ATOM 0 HG23 THR A 754 -4.264 -7.556 2.121 1.00 0.00 H new ATOM 575 N TYR A 755 -2.666 -4.656 0.301 1.00 0.00 N ATOM 576 CA TYR A 755 -1.635 -4.172 -0.613 1.00 0.00 C ATOM 577 C TYR A 755 -0.362 -5.011 -0.517 1.00 0.00 C ATOM 578 O TYR A 755 -0.100 -5.651 0.504 1.00 0.00 O ATOM 579 CB TYR A 755 -1.325 -2.693 -0.353 1.00 0.00 C ATOM 580 CG TYR A 755 -1.089 -2.340 1.099 1.00 0.00 C ATOM 581 CD1 TYR A 755 0.161 -2.491 1.683 1.00 0.00 C ATOM 582 CD2 TYR A 755 -2.120 -1.835 1.880 1.00 0.00 C ATOM 583 CE1 TYR A 755 0.376 -2.145 3.003 1.00 0.00 C ATOM 584 CE2 TYR A 755 -1.917 -1.492 3.203 1.00 0.00 C ATOM 585 CZ TYR A 755 -0.663 -1.649 3.759 1.00 0.00 C ATOM 586 OH TYR A 755 -0.446 -1.306 5.076 1.00 0.00 O ATOM 0 H TYR A 755 -2.309 -5.041 1.175 1.00 0.00 H new ATOM 0 HA TYR A 755 -2.024 -4.271 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 755 -0.442 -2.415 -0.928 1.00 0.00 H new ATOM 0 HB3 TYR A 755 -2.153 -2.091 -0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 755 0.978 -2.885 1.097 1.00 0.00 H new ATOM 0 HD2 TYR A 755 -3.100 -1.708 1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 755 1.356 -2.263 3.441 1.00 0.00 H new ATOM 0 HE2 TYR A 755 -2.732 -1.105 3.797 1.00 0.00 H new ATOM 0 HH TYR A 755 -0.512 -2.106 5.638 1.00 0.00 H new ATOM 596 N ASP A 756 0.417 -4.998 -1.596 1.00 0.00 N ATOM 597 CA ASP A 756 1.647 -5.771 -1.688 1.00 0.00 C ATOM 598 C ASP A 756 2.844 -4.848 -1.751 1.00 0.00 C ATOM 599 O ASP A 756 2.959 -4.014 -2.653 1.00 0.00 O ATOM 600 CB ASP A 756 1.667 -6.665 -2.936 1.00 0.00 C ATOM 601 CG ASP A 756 1.198 -8.082 -2.673 1.00 0.00 C ATOM 602 OD1 ASP A 756 1.331 -8.558 -1.535 1.00 0.00 O ATOM 603 OD2 ASP A 756 0.719 -8.743 -3.622 1.00 0.00 O ATOM 0 H ASP A 756 0.210 -4.450 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 756 1.693 -6.399 -0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 756 1.035 -6.218 -3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 756 2.681 -6.695 -3.336 1.00 0.00 H new ATOM 608 N ILE A 757 3.720 -4.991 -0.787 1.00 0.00 N ATOM 609 CA ILE A 757 5.004 -4.350 -0.836 1.00 0.00 C ATOM 610 C ILE A 757 5.961 -5.287 -1.541 1.00 0.00 C ATOM 611 O ILE A 757 6.523 -6.201 -0.934 1.00 0.00 O ATOM 612 CB ILE A 757 5.547 -4.013 0.568 1.00 0.00 C ATOM 613 CG1 ILE A 757 4.656 -2.994 1.245 1.00 0.00 C ATOM 614 CG2 ILE A 757 6.950 -3.463 0.464 1.00 0.00 C ATOM 615 CD1 ILE A 757 3.416 -3.573 1.885 1.00 0.00 C ATOM 0 H ILE A 757 3.561 -5.553 0.049 1.00 0.00 H new ATOM 0 HA ILE A 757 4.903 -3.405 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 757 5.560 -4.927 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 757 5.235 -2.474 2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 757 4.355 -2.248 0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 757 7.324 -3.228 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 757 7.598 -4.206 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 757 6.942 -2.558 -0.143 1.00 0.00 H new ATOM 0 HD11 ILE A 757 2.837 -2.773 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 757 2.811 -4.067 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 757 3.704 -4.297 2.647 1.00 0.00 H new ATOM 627 N ILE A 758 6.121 -5.078 -2.827 1.00 0.00 N ATOM 628 CA ILE A 758 6.918 -5.969 -3.632 1.00 0.00 C ATOM 629 C ILE A 758 8.278 -5.379 -3.884 1.00 0.00 C ATOM 630 O ILE A 758 8.430 -4.170 -3.954 1.00 0.00 O ATOM 631 CB ILE A 758 6.228 -6.278 -4.975 1.00 0.00 C ATOM 632 CG1 ILE A 758 6.102 -5.033 -5.848 1.00 0.00 C ATOM 633 CG2 ILE A 758 4.860 -6.856 -4.719 1.00 0.00 C ATOM 634 CD1 ILE A 758 7.035 -5.035 -7.041 1.00 0.00 C ATOM 0 H ILE A 758 5.708 -4.297 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 758 7.029 -6.902 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 758 6.846 -6.999 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 758 5.074 -4.949 -6.201 1.00 0.00 H new ATOM 0 HG13 ILE A 758 6.304 -4.151 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 758 4.373 -7.074 -5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 758 4.956 -7.775 -4.141 1.00 0.00 H new ATOM 0 HG23 ILE A 758 4.260 -6.137 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 758 6.891 -4.121 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 758 8.067 -5.088 -6.695 1.00 0.00 H new ATOM 0 HD13 ILE A 758 6.819 -5.898 -7.671 1.00 0.00 H new ATOM 646 N GLU A 759 9.272 -6.225 -4.002 1.00 0.00 N ATOM 647 CA GLU A 759 10.571 -5.749 -4.392 1.00 0.00 C ATOM 648 C GLU A 759 10.859 -6.141 -5.822 1.00 0.00 C ATOM 649 O GLU A 759 10.845 -7.318 -6.186 1.00 0.00 O ATOM 650 CB GLU A 759 11.680 -6.226 -3.468 1.00 0.00 C ATOM 651 CG GLU A 759 11.759 -7.709 -3.296 1.00 0.00 C ATOM 652 CD GLU A 759 13.088 -8.139 -2.709 1.00 0.00 C ATOM 653 OE1 GLU A 759 13.504 -7.579 -1.673 1.00 0.00 O ATOM 654 OE2 GLU A 759 13.710 -9.055 -3.273 1.00 0.00 O ATOM 0 H GLU A 759 9.207 -7.229 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 759 10.551 -4.662 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 759 12.634 -5.868 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 759 11.540 -5.768 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 759 10.950 -8.043 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 759 11.614 -8.195 -4.261 1.00 0.00 H new ATOM 661 N THR A 760 11.117 -5.136 -6.624 1.00 0.00 N ATOM 662 CA THR A 760 11.421 -5.329 -8.022 1.00 0.00 C ATOM 663 C THR A 760 12.906 -5.645 -8.158 1.00 0.00 C ATOM 664 O THR A 760 13.393 -6.048 -9.217 1.00 0.00 O ATOM 665 CB THR A 760 11.024 -4.077 -8.837 1.00 0.00 C ATOM 666 OG1 THR A 760 11.647 -4.078 -10.126 1.00 0.00 O ATOM 667 CG2 THR A 760 11.374 -2.809 -8.079 1.00 0.00 C ATOM 0 H THR A 760 11.122 -4.161 -6.326 1.00 0.00 H new ATOM 0 HA THR A 760 10.846 -6.164 -8.421 1.00 0.00 H new ATOM 0 HB THR A 760 9.944 -4.106 -8.985 1.00 0.00 H new ATOM 0 HG1 THR A 760 12.267 -4.834 -10.189 1.00 0.00 H new ATOM 0 HG21 THR A 760 11.086 -1.940 -8.671 1.00 0.00 H new ATOM 0 HG22 THR A 760 10.840 -2.794 -7.129 1.00 0.00 H new ATOM 0 HG23 THR A 760 12.448 -2.781 -7.892 1.00 0.00 H new ATOM 739 N ARG A 765 8.220 -10.201 -2.008 1.00 0.00 N ATOM 740 CA ARG A 765 6.939 -9.534 -1.937 1.00 0.00 C ATOM 741 C ARG A 765 6.274 -9.767 -0.583 1.00 0.00 C ATOM 742 O ARG A 765 6.334 -10.866 -0.030 1.00 0.00 O ATOM 743 CB ARG A 765 6.055 -10.023 -3.081 1.00 0.00 C ATOM 744 CG ARG A 765 4.579 -9.766 -2.879 1.00 0.00 C ATOM 745 CD ARG A 765 3.806 -9.988 -4.166 1.00 0.00 C ATOM 746 NE ARG A 765 3.900 -11.374 -4.619 1.00 0.00 N ATOM 747 CZ ARG A 765 4.220 -11.741 -5.860 1.00 0.00 C ATOM 748 NH1 ARG A 765 4.532 -10.831 -6.776 1.00 0.00 N ATOM 749 NH2 ARG A 765 4.245 -13.026 -6.182 1.00 0.00 N ATOM 0 HA ARG A 765 7.087 -8.459 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 765 6.374 -9.538 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 765 6.211 -11.094 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 765 4.195 -10.426 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 765 4.429 -8.744 -2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 765 2.759 -9.725 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 765 4.190 -9.325 -4.941 1.00 0.00 H new ATOM 0 HE ARG A 765 3.708 -12.110 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 765 4.528 -9.840 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 765 4.775 -11.123 -7.723 1.00 0.00 H new ATOM 0 HH21 ARG A 765 4.020 -13.732 -5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 765 4.490 -13.309 -7.131 1.00 0.00 H new ATOM 763 N LYS A 766 5.656 -8.722 -0.055 1.00 0.00 N ATOM 764 CA LYS A 766 5.001 -8.791 1.233 1.00 0.00 C ATOM 765 C LYS A 766 3.569 -8.319 1.107 1.00 0.00 C ATOM 766 O LYS A 766 3.288 -7.368 0.405 1.00 0.00 O ATOM 767 CB LYS A 766 5.742 -7.929 2.250 1.00 0.00 C ATOM 768 CG LYS A 766 5.366 -8.259 3.683 1.00 0.00 C ATOM 769 CD LYS A 766 4.287 -7.339 4.219 1.00 0.00 C ATOM 770 CE LYS A 766 3.860 -7.748 5.620 1.00 0.00 C ATOM 771 NZ LYS A 766 5.022 -7.892 6.541 1.00 0.00 N ATOM 0 H LYS A 766 5.597 -7.810 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 766 5.010 -9.826 1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 766 6.816 -8.064 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 766 5.527 -6.878 2.055 1.00 0.00 H new ATOM 0 HG2 LYS A 766 5.021 -9.291 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 766 6.251 -8.185 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 766 4.655 -6.313 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 766 3.424 -7.359 3.553 1.00 0.00 H new ATOM 0 HE2 LYS A 766 3.171 -7.004 6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 766 3.317 -8.692 5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 766 5.183 -8.900 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 766 5.870 -7.488 6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 766 4.825 -7.389 7.430 1.00 0.00 H new ATOM 785 N THR A 767 2.674 -8.977 1.798 1.00 0.00 N ATOM 786 CA THR A 767 1.272 -8.612 1.748 1.00 0.00 C ATOM 787 C THR A 767 0.819 -8.048 3.090 1.00 0.00 C ATOM 788 O THR A 767 1.072 -8.644 4.137 1.00 0.00 O ATOM 789 CB THR A 767 0.408 -9.830 1.378 1.00 0.00 C ATOM 790 OG1 THR A 767 0.888 -10.400 0.155 1.00 0.00 O ATOM 791 CG2 THR A 767 -1.054 -9.438 1.216 1.00 0.00 C ATOM 0 H THR A 767 2.886 -9.770 2.404 1.00 0.00 H new ATOM 0 HA THR A 767 1.149 -7.847 0.982 1.00 0.00 H new ATOM 0 HB THR A 767 0.479 -10.560 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 767 0.698 -9.789 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 767 -1.640 -10.319 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 767 -1.425 -9.020 2.152 1.00 0.00 H new ATOM 0 HG23 THR A 767 -1.146 -8.694 0.425 1.00 0.00 H new ATOM 799 N PHE A 768 0.173 -6.894 3.061 1.00 0.00 N ATOM 800 CA PHE A 768 -0.337 -6.277 4.265 1.00 0.00 C ATOM 801 C PHE A 768 -1.819 -5.989 4.077 1.00 0.00 C ATOM 802 O PHE A 768 -2.236 -5.504 3.022 1.00 0.00 O ATOM 803 CB PHE A 768 0.418 -4.983 4.558 1.00 0.00 C ATOM 804 CG PHE A 768 0.388 -4.560 5.997 1.00 0.00 C ATOM 805 CD1 PHE A 768 -0.804 -4.205 6.590 1.00 0.00 C ATOM 806 CD2 PHE A 768 1.551 -4.503 6.747 1.00 0.00 C ATOM 807 CE1 PHE A 768 -0.846 -3.798 7.910 1.00 0.00 C ATOM 808 CE2 PHE A 768 1.519 -4.099 8.067 1.00 0.00 C ATOM 809 CZ PHE A 768 0.317 -3.747 8.650 1.00 0.00 C ATOM 0 H PHE A 768 -0.009 -6.366 2.208 1.00 0.00 H new ATOM 0 HA PHE A 768 -0.197 -6.951 5.110 1.00 0.00 H new ATOM 0 HB2 PHE A 768 1.456 -5.105 4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 768 -0.004 -4.184 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 768 -1.718 -4.245 6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 768 2.493 -4.777 6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 768 -1.787 -3.521 8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 768 2.432 -4.058 8.643 1.00 0.00 H new ATOM 0 HZ PHE A 768 0.288 -3.433 9.683 1.00 0.00 H new ATOM 819 N GLU A 769 -2.601 -6.294 5.087 1.00 0.00 N ATOM 820 CA GLU A 769 -4.040 -6.158 5.012 1.00 0.00 C ATOM 821 C GLU A 769 -4.585 -5.439 6.244 1.00 0.00 C ATOM 822 O GLU A 769 -4.285 -5.812 7.377 1.00 0.00 O ATOM 823 CB GLU A 769 -4.652 -7.547 4.885 1.00 0.00 C ATOM 824 CG GLU A 769 -6.169 -7.559 4.814 1.00 0.00 C ATOM 825 CD GLU A 769 -6.738 -8.962 4.882 1.00 0.00 C ATOM 826 OE1 GLU A 769 -6.794 -9.643 3.836 1.00 0.00 O ATOM 827 OE2 GLU A 769 -7.139 -9.388 5.983 1.00 0.00 O ATOM 0 H GLU A 769 -2.260 -6.643 5.983 1.00 0.00 H new ATOM 0 HA GLU A 769 -4.304 -5.557 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 769 -4.255 -8.026 3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 769 -4.335 -8.150 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 769 -6.573 -6.965 5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 769 -6.491 -7.084 3.887 1.00 0.00 H new ATOM 834 N ILE A 770 -5.371 -4.400 6.011 1.00 0.00 N ATOM 835 CA ILE A 770 -5.994 -3.649 7.083 1.00 0.00 C ATOM 836 C ILE A 770 -7.504 -3.684 6.903 1.00 0.00 C ATOM 837 O ILE A 770 -8.029 -3.177 5.917 1.00 0.00 O ATOM 838 CB ILE A 770 -5.486 -2.191 7.101 1.00 0.00 C ATOM 839 CG1 ILE A 770 -3.995 -2.163 7.418 1.00 0.00 C ATOM 840 CG2 ILE A 770 -6.251 -1.357 8.117 1.00 0.00 C ATOM 841 CD1 ILE A 770 -3.199 -1.295 6.479 1.00 0.00 C ATOM 0 H ILE A 770 -5.593 -4.057 5.077 1.00 0.00 H new ATOM 0 HA ILE A 770 -5.730 -4.104 8.038 1.00 0.00 H new ATOM 0 HB ILE A 770 -5.653 -1.760 6.114 1.00 0.00 H new ATOM 0 HG12 ILE A 770 -3.855 -1.805 8.438 1.00 0.00 H new ATOM 0 HG13 ILE A 770 -3.604 -3.180 7.380 1.00 0.00 H new ATOM 0 HG21 ILE A 770 -5.872 -0.335 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 770 -7.311 -1.354 7.861 1.00 0.00 H new ATOM 0 HG23 ILE A 770 -6.119 -1.784 9.111 1.00 0.00 H new ATOM 0 HD11 ILE A 770 -2.147 -1.321 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 770 -3.309 -1.665 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 770 -3.564 -0.269 6.534 1.00 0.00 H new ATOM 853 N LYS A 771 -8.194 -4.323 7.827 1.00 0.00 N ATOM 854 CA LYS A 771 -9.618 -4.521 7.705 1.00 0.00 C ATOM 855 C LYS A 771 -10.401 -3.353 8.274 1.00 0.00 C ATOM 856 O LYS A 771 -9.930 -2.639 9.161 1.00 0.00 O ATOM 857 CB LYS A 771 -10.012 -5.810 8.406 1.00 0.00 C ATOM 858 CG LYS A 771 -8.874 -6.812 8.437 1.00 0.00 C ATOM 859 CD LYS A 771 -9.334 -8.214 8.776 1.00 0.00 C ATOM 860 CE LYS A 771 -9.955 -8.921 7.575 1.00 0.00 C ATOM 861 NZ LYS A 771 -11.336 -8.454 7.284 1.00 0.00 N ATOM 0 H LYS A 771 -7.785 -4.715 8.675 1.00 0.00 H new ATOM 0 HA LYS A 771 -9.861 -4.589 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 771 -10.326 -5.587 9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 771 -10.870 -6.251 7.898 1.00 0.00 H new ATOM 0 HG2 LYS A 771 -8.379 -6.822 7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 771 -8.133 -6.491 9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 771 -8.486 -8.795 9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 771 -10.062 -8.170 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 771 -9.328 -8.757 6.698 1.00 0.00 H new ATOM 0 HE3 LYS A 771 -9.971 -9.995 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 771 -11.887 -9.235 6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 771 -11.788 -8.137 8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 771 -11.300 -7.663 6.609 1.00 0.00 H new ATOM 875 N GLU A 772 -11.603 -3.190 7.742 1.00 0.00 N ATOM 876 CA GLU A 772 -12.534 -2.138 8.145 1.00 0.00 C ATOM 877 C GLU A 772 -11.889 -0.759 8.105 1.00 0.00 C ATOM 878 O GLU A 772 -12.011 0.004 9.066 1.00 0.00 O ATOM 879 CB GLU A 772 -13.083 -2.378 9.558 1.00 0.00 C ATOM 880 CG GLU A 772 -13.183 -3.835 9.958 1.00 0.00 C ATOM 881 CD GLU A 772 -13.940 -4.024 11.255 1.00 0.00 C ATOM 882 OE1 GLU A 772 -15.139 -4.366 11.208 1.00 0.00 O ATOM 883 OE2 GLU A 772 -13.344 -3.818 12.332 1.00 0.00 O ATOM 0 H GLU A 772 -11.968 -3.794 7.005 1.00 0.00 H new ATOM 0 HA GLU A 772 -13.352 -2.172 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 772 -12.444 -1.862 10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 772 -14.072 -1.927 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 772 -13.680 -4.394 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 772 -12.181 -4.251 10.061 1.00 0.00 H new ATOM 890 N ILE A 773 -11.203 -0.421 7.021 1.00 0.00 N ATOM 891 CA ILE A 773 -10.676 0.920 6.905 1.00 0.00 C ATOM 892 C ILE A 773 -11.834 1.851 6.577 1.00 0.00 C ATOM 893 O ILE A 773 -12.506 1.711 5.561 1.00 0.00 O ATOM 894 CB ILE A 773 -9.487 1.051 5.890 1.00 0.00 C ATOM 895 CG1 ILE A 773 -9.913 1.546 4.505 1.00 0.00 C ATOM 896 CG2 ILE A 773 -8.748 -0.270 5.749 1.00 0.00 C ATOM 897 CD1 ILE A 773 -9.936 3.063 4.377 1.00 0.00 C ATOM 0 H ILE A 773 -11.006 -1.040 6.235 1.00 0.00 H new ATOM 0 HA ILE A 773 -10.228 1.203 7.858 1.00 0.00 H new ATOM 0 HB ILE A 773 -8.825 1.808 6.311 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -9.232 1.138 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -10.906 1.156 4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -7.928 -0.154 5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -8.350 -0.570 6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -9.435 -1.035 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -10.247 3.338 3.369 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -10.638 3.479 5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -8.939 3.460 4.570 1.00 0.00 H new ATOM 909 N LYS A 774 -12.114 2.738 7.506 1.00 0.00 N ATOM 910 CA LYS A 774 -13.188 3.703 7.361 1.00 0.00 C ATOM 911 C LYS A 774 -12.556 5.079 7.293 1.00 0.00 C ATOM 912 O LYS A 774 -13.123 6.089 7.715 1.00 0.00 O ATOM 913 CB LYS A 774 -14.136 3.576 8.556 1.00 0.00 C ATOM 914 CG LYS A 774 -14.477 2.127 8.881 1.00 0.00 C ATOM 915 CD LYS A 774 -15.181 1.989 10.215 1.00 0.00 C ATOM 916 CE LYS A 774 -15.305 0.527 10.627 1.00 0.00 C ATOM 917 NZ LYS A 774 -15.963 0.377 11.950 1.00 0.00 N ATOM 0 H LYS A 774 -11.604 2.813 8.386 1.00 0.00 H new ATOM 0 HA LYS A 774 -13.770 3.530 6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 774 -13.679 4.043 9.429 1.00 0.00 H new ATOM 0 HB3 LYS A 774 -15.055 4.124 8.346 1.00 0.00 H new ATOM 0 HG2 LYS A 774 -15.111 1.720 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 774 -13.562 1.534 8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 774 -14.630 2.539 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 774 -16.173 2.437 10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 774 -15.877 -0.015 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 774 -14.314 0.074 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 774 -16.028 -0.632 12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 774 -15.404 0.872 12.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 774 -16.919 0.786 11.911 1.00 0.00 H new ATOM 931 N THR A 775 -11.353 5.080 6.743 1.00 0.00 N ATOM 932 CA THR A 775 -10.472 6.225 6.778 1.00 0.00 C ATOM 933 C THR A 775 -10.549 7.058 5.501 1.00 0.00 C ATOM 934 O THR A 775 -11.056 8.176 5.512 1.00 0.00 O ATOM 935 CB THR A 775 -9.032 5.747 6.963 1.00 0.00 C ATOM 936 OG1 THR A 775 -9.004 4.642 7.876 1.00 0.00 O ATOM 937 CG2 THR A 775 -8.160 6.864 7.501 1.00 0.00 C ATOM 0 H THR A 775 -10.961 4.275 6.255 1.00 0.00 H new ATOM 0 HA THR A 775 -10.789 6.854 7.610 1.00 0.00 H new ATOM 0 HB THR A 775 -8.645 5.436 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 775 -8.080 4.336 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 775 -7.140 6.501 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 775 -8.166 7.699 6.801 1.00 0.00 H new ATOM 0 HG23 THR A 775 -8.547 7.196 8.465 1.00 0.00 H new ATOM 945 N ASN A 776 -9.994 6.497 4.422 1.00 0.00 N ATOM 946 CA ASN A 776 -9.916 7.141 3.105 1.00 0.00 C ATOM 947 C ASN A 776 -8.718 8.070 3.048 1.00 0.00 C ATOM 948 O ASN A 776 -8.527 8.807 2.086 1.00 0.00 O ATOM 949 CB ASN A 776 -11.198 7.889 2.732 1.00 0.00 C ATOM 950 CG ASN A 776 -12.407 6.978 2.621 1.00 0.00 C ATOM 951 OD1 ASN A 776 -12.173 5.691 2.403 1.00 0.00 O flip ATOM 952 ND2 ASN A 776 -13.543 7.422 2.774 1.00 0.00 N flip ATOM 0 H ASN A 776 -9.579 5.566 4.439 1.00 0.00 H new ATOM 0 HA ASN A 776 -9.795 6.348 2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 776 -11.396 8.656 3.481 1.00 0.00 H new ATOM 0 HB3 ASN A 776 -11.049 8.403 1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 776 -13.683 8.419 2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 776 -14.346 6.794 2.735 1.00 0.00 H new ATOM 959 N GLU A 777 -7.907 7.999 4.087 1.00 0.00 N ATOM 960 CA GLU A 777 -6.670 8.737 4.160 1.00 0.00 C ATOM 961 C GLU A 777 -5.772 8.125 5.211 1.00 0.00 C ATOM 962 O GLU A 777 -5.861 8.439 6.396 1.00 0.00 O ATOM 963 CB GLU A 777 -6.950 10.181 4.477 1.00 0.00 C ATOM 964 CG GLU A 777 -5.699 11.021 4.590 1.00 0.00 C ATOM 965 CD GLU A 777 -5.958 12.493 4.372 1.00 0.00 C ATOM 966 OE1 GLU A 777 -6.536 13.140 5.270 1.00 0.00 O ATOM 967 OE2 GLU A 777 -5.583 13.013 3.301 1.00 0.00 O ATOM 0 H GLU A 777 -8.094 7.422 4.907 1.00 0.00 H new ATOM 0 HA GLU A 777 -6.163 8.688 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 777 -7.591 10.599 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 777 -7.504 10.239 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 777 -5.259 10.877 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 777 -4.967 10.674 3.860 1.00 0.00 H new ATOM 974 N TYR A 778 -4.907 7.253 4.766 1.00 0.00 N ATOM 975 CA TYR A 778 -4.102 6.466 5.672 1.00 0.00 C ATOM 976 C TYR A 778 -2.702 6.293 5.125 1.00 0.00 C ATOM 977 O TYR A 778 -2.513 5.768 4.030 1.00 0.00 O ATOM 978 CB TYR A 778 -4.770 5.115 5.917 1.00 0.00 C ATOM 979 CG TYR A 778 -3.917 4.136 6.697 1.00 0.00 C ATOM 980 CD1 TYR A 778 -3.889 4.146 8.085 1.00 0.00 C ATOM 981 CD2 TYR A 778 -3.129 3.202 6.033 1.00 0.00 C ATOM 982 CE1 TYR A 778 -3.099 3.254 8.788 1.00 0.00 C ATOM 983 CE2 TYR A 778 -2.340 2.309 6.727 1.00 0.00 C ATOM 984 CZ TYR A 778 -2.326 2.338 8.102 1.00 0.00 C ATOM 985 OH TYR A 778 -1.535 1.447 8.794 1.00 0.00 O ATOM 0 H TYR A 778 -4.739 7.067 3.777 1.00 0.00 H new ATOM 0 HA TYR A 778 -4.022 6.989 6.625 1.00 0.00 H new ATOM 0 HB2 TYR A 778 -5.704 5.276 6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 778 -5.029 4.670 4.956 1.00 0.00 H new ATOM 0 HD1 TYR A 778 -4.493 4.861 8.624 1.00 0.00 H new ATOM 0 HD2 TYR A 778 -3.135 3.176 4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 778 -3.087 3.274 9.868 1.00 0.00 H new ATOM 0 HE2 TYR A 778 -1.736 1.590 6.193 1.00 0.00 H new ATOM 0 HH TYR A 778 -1.057 0.872 8.160 1.00 0.00 H new ATOM 995 N VAL A 779 -1.718 6.751 5.872 1.00 0.00 N ATOM 996 CA VAL A 779 -0.359 6.612 5.427 1.00 0.00 C ATOM 997 C VAL A 779 0.197 5.278 5.888 1.00 0.00 C ATOM 998 O VAL A 779 0.062 4.878 7.048 1.00 0.00 O ATOM 999 CB VAL A 779 0.540 7.811 5.816 1.00 0.00 C ATOM 1000 CG1 VAL A 779 -0.285 8.999 6.249 1.00 0.00 C ATOM 1001 CG2 VAL A 779 1.570 7.413 6.825 1.00 0.00 C ATOM 0 H VAL A 779 -1.836 7.214 6.773 1.00 0.00 H new ATOM 0 HA VAL A 779 -0.361 6.622 4.337 1.00 0.00 H new ATOM 0 HB VAL A 779 1.088 8.128 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 779 0.376 9.824 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 779 -0.937 9.306 5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 779 -0.891 8.726 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 779 2.185 8.277 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 779 1.076 7.045 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 779 2.201 6.627 6.410 1.00 0.00 H new ATOM 1011 N ILE A 780 0.760 4.576 4.932 1.00 0.00 N ATOM 1012 CA ILE A 780 1.205 3.217 5.120 1.00 0.00 C ATOM 1013 C ILE A 780 2.656 3.177 5.565 1.00 0.00 C ATOM 1014 O ILE A 780 3.492 3.923 5.061 1.00 0.00 O ATOM 1015 CB ILE A 780 1.039 2.433 3.809 1.00 0.00 C ATOM 1016 CG1 ILE A 780 -0.428 2.298 3.433 1.00 0.00 C ATOM 1017 CG2 ILE A 780 1.680 1.062 3.896 1.00 0.00 C ATOM 1018 CD1 ILE A 780 -0.603 1.658 2.082 1.00 0.00 C ATOM 0 H ILE A 780 0.923 4.937 3.992 1.00 0.00 H new ATOM 0 HA ILE A 780 0.596 2.759 5.900 1.00 0.00 H new ATOM 0 HB ILE A 780 1.549 3.000 3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 780 -0.943 1.702 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 780 -0.895 3.283 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 780 1.543 0.536 2.951 1.00 0.00 H new ATOM 0 HG22 ILE A 780 2.745 1.171 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 780 1.213 0.492 4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 780 -1.665 1.580 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 780 -0.111 2.268 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 780 -0.160 0.662 2.091 1.00 0.00 H new ATOM 1030 N LYS A 781 2.948 2.307 6.512 1.00 0.00 N ATOM 1031 CA LYS A 781 4.300 2.159 7.016 1.00 0.00 C ATOM 1032 C LYS A 781 4.810 0.769 6.689 1.00 0.00 C ATOM 1033 O LYS A 781 4.376 -0.216 7.285 1.00 0.00 O ATOM 1034 CB LYS A 781 4.370 2.404 8.532 1.00 0.00 C ATOM 1035 CG LYS A 781 4.177 3.862 8.956 1.00 0.00 C ATOM 1036 CD LYS A 781 2.746 4.339 8.782 1.00 0.00 C ATOM 1037 CE LYS A 781 1.816 3.694 9.795 1.00 0.00 C ATOM 1038 NZ LYS A 781 2.050 4.201 11.174 1.00 0.00 N ATOM 0 H LYS A 781 2.264 1.689 6.950 1.00 0.00 H new ATOM 0 HA LYS A 781 4.928 2.907 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 781 3.609 1.795 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 781 5.337 2.059 8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 781 4.468 3.974 10.000 1.00 0.00 H new ATOM 0 HG3 LYS A 781 4.841 4.497 8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 781 2.707 5.423 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 781 2.404 4.107 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 781 0.782 3.886 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 781 1.956 2.613 9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 781 1.264 3.909 11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 781 2.941 3.810 11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 781 2.109 5.239 11.157 1.00 0.00 H new ATOM 1052 N THR A 782 5.712 0.688 5.729 1.00 0.00 N ATOM 1053 CA THR A 782 6.238 -0.592 5.307 1.00 0.00 C ATOM 1054 C THR A 782 7.281 -1.083 6.302 1.00 0.00 C ATOM 1055 O THR A 782 8.052 -0.281 6.845 1.00 0.00 O ATOM 1056 CB THR A 782 6.873 -0.518 3.915 1.00 0.00 C ATOM 1057 OG1 THR A 782 8.074 0.252 3.961 1.00 0.00 O ATOM 1058 CG2 THR A 782 5.909 0.087 2.926 1.00 0.00 C ATOM 0 H THR A 782 6.093 1.491 5.230 1.00 0.00 H new ATOM 0 HA THR A 782 5.400 -1.288 5.266 1.00 0.00 H new ATOM 0 HB THR A 782 7.114 -1.531 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 782 8.835 -0.314 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 782 6.377 0.132 1.943 1.00 0.00 H new ATOM 0 HG22 THR A 782 5.010 -0.527 2.872 1.00 0.00 H new ATOM 0 HG23 THR A 782 5.642 1.094 3.247 1.00 0.00 H new ATOM 1066 N PRO A 783 7.312 -2.401 6.541 1.00 0.00 N ATOM 1067 CA PRO A 783 8.250 -3.034 7.480 1.00 0.00 C ATOM 1068 C PRO A 783 9.714 -2.723 7.167 1.00 0.00 C ATOM 1069 O PRO A 783 10.057 -2.305 6.059 1.00 0.00 O ATOM 1070 CB PRO A 783 7.974 -4.530 7.295 1.00 0.00 C ATOM 1071 CG PRO A 783 6.580 -4.596 6.781 1.00 0.00 C ATOM 1072 CD PRO A 783 6.416 -3.388 5.914 1.00 0.00 C ATOM 0 HA PRO A 783 8.103 -2.673 8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 783 8.677 -4.978 6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 783 8.075 -5.071 8.236 1.00 0.00 H new ATOM 0 HG2 PRO A 783 6.414 -5.512 6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 783 5.860 -4.593 7.599 1.00 0.00 H new ATOM 0 HD2 PRO A 783 6.700 -3.591 4.882 1.00 0.00 H new ATOM 0 HD3 PRO A 783 5.383 -3.041 5.898 1.00 0.00 H new ATOM 1080 N VAL A 784 10.564 -2.936 8.167 1.00 0.00 N ATOM 1081 CA VAL A 784 11.985 -2.653 8.075 1.00 0.00 C ATOM 1082 C VAL A 784 12.657 -3.429 6.952 1.00 0.00 C ATOM 1083 O VAL A 784 12.639 -4.661 6.925 1.00 0.00 O ATOM 1084 CB VAL A 784 12.680 -2.974 9.412 1.00 0.00 C ATOM 1085 CG1 VAL A 784 14.193 -2.930 9.280 1.00 0.00 C ATOM 1086 CG2 VAL A 784 12.204 -2.009 10.476 1.00 0.00 C ATOM 0 H VAL A 784 10.279 -3.314 9.071 1.00 0.00 H new ATOM 0 HA VAL A 784 12.085 -1.591 7.851 1.00 0.00 H new ATOM 0 HB VAL A 784 12.413 -3.990 9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 784 14.649 -3.161 10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 784 14.515 -3.663 8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 784 14.502 -1.934 8.962 1.00 0.00 H new ATOM 0 HG21 VAL A 784 12.697 -2.238 11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 784 12.447 -0.989 10.177 1.00 0.00 H new ATOM 0 HG23 VAL A 784 11.125 -2.104 10.597 1.00 0.00 H new ATOM 1096 N PHE A 785 13.263 -2.692 6.040 1.00 0.00 N ATOM 1097 CA PHE A 785 13.992 -3.285 4.935 1.00 0.00 C ATOM 1098 C PHE A 785 15.476 -3.330 5.259 1.00 0.00 C ATOM 1099 O PHE A 785 16.194 -2.341 5.099 1.00 0.00 O ATOM 1100 CB PHE A 785 13.773 -2.494 3.644 1.00 0.00 C ATOM 1101 CG PHE A 785 12.334 -2.359 3.240 1.00 0.00 C ATOM 1102 CD1 PHE A 785 11.524 -3.477 3.106 1.00 0.00 C ATOM 1103 CD2 PHE A 785 11.797 -1.111 2.979 1.00 0.00 C ATOM 1104 CE1 PHE A 785 10.203 -3.346 2.722 1.00 0.00 C ATOM 1105 CE2 PHE A 785 10.479 -0.976 2.595 1.00 0.00 C ATOM 1106 CZ PHE A 785 9.681 -2.095 2.466 1.00 0.00 C ATOM 0 H PHE A 785 13.264 -1.672 6.044 1.00 0.00 H new ATOM 0 HA PHE A 785 13.618 -4.298 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 785 14.199 -1.498 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 785 14.321 -2.980 2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 785 11.929 -4.458 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 785 12.417 -0.232 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 785 9.580 -4.222 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 785 10.072 0.004 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 785 8.649 -1.991 2.165 1.00 0.00 H new ATOM 1116 N THR A 786 15.940 -4.479 5.712 1.00 0.00 N ATOM 1117 CA THR A 786 17.345 -4.661 6.027 1.00 0.00 C ATOM 1118 C THR A 786 18.105 -5.090 4.788 1.00 0.00 C ATOM 1119 O THR A 786 19.070 -5.848 4.845 1.00 0.00 O ATOM 1120 CB THR A 786 17.517 -5.678 7.151 1.00 0.00 C ATOM 1121 OG1 THR A 786 16.819 -6.890 6.837 1.00 0.00 O ATOM 1122 CG2 THR A 786 16.976 -5.086 8.433 1.00 0.00 C ATOM 0 H THR A 786 15.362 -5.304 5.871 1.00 0.00 H new ATOM 0 HA THR A 786 17.753 -3.710 6.370 1.00 0.00 H new ATOM 0 HB THR A 786 18.575 -5.913 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 786 16.939 -7.535 7.565 1.00 0.00 H new ATOM 0 HG21 THR A 786 17.094 -5.805 9.244 1.00 0.00 H new ATOM 0 HG22 THR A 786 17.524 -4.175 8.673 1.00 0.00 H new ATOM 0 HG23 THR A 786 15.919 -4.851 8.308 1.00 0.00 H new ATOM 1130 N THR A 787 17.649 -4.577 3.667 1.00 0.00 N ATOM 1131 CA THR A 787 18.233 -4.885 2.380 1.00 0.00 C ATOM 1132 C THR A 787 17.992 -3.743 1.407 1.00 0.00 C ATOM 1133 O THR A 787 16.865 -3.536 0.960 1.00 0.00 O ATOM 1134 CB THR A 787 17.647 -6.171 1.785 1.00 0.00 C ATOM 1135 OG1 THR A 787 17.736 -7.246 2.730 1.00 0.00 O ATOM 1136 CG2 THR A 787 18.369 -6.555 0.502 1.00 0.00 C ATOM 0 H THR A 787 16.860 -3.932 3.622 1.00 0.00 H new ATOM 0 HA THR A 787 19.302 -5.027 2.537 1.00 0.00 H new ATOM 0 HB THR A 787 16.599 -5.985 1.553 1.00 0.00 H new ATOM 0 HG1 THR A 787 17.357 -8.060 2.337 1.00 0.00 H new ATOM 0 HG21 THR A 787 17.935 -7.470 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 787 18.265 -5.753 -0.228 1.00 0.00 H new ATOM 0 HG23 THR A 787 19.426 -6.718 0.714 1.00 0.00 H new ATOM 1144 N GLY A 788 19.035 -2.967 1.142 1.00 0.00 N ATOM 1145 CA GLY A 788 18.984 -2.015 0.055 1.00 0.00 C ATOM 1146 C GLY A 788 18.497 -2.643 -1.237 1.00 0.00 C ATOM 1147 O GLY A 788 19.161 -3.504 -1.815 1.00 0.00 O ATOM 0 H GLY A 788 19.913 -2.981 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 788 18.324 -1.191 0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 788 19.976 -1.591 -0.101 1.00 0.00 H new ATOM 1151 N GLY A 789 17.331 -2.211 -1.669 1.00 0.00 N ATOM 1152 CA GLY A 789 16.726 -2.723 -2.873 1.00 0.00 C ATOM 1153 C GLY A 789 15.680 -1.762 -3.384 1.00 0.00 C ATOM 1154 O GLY A 789 15.620 -0.621 -2.931 1.00 0.00 O ATOM 0 H GLY A 789 16.780 -1.496 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 789 17.490 -2.878 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 789 16.272 -3.694 -2.675 1.00 0.00 H new ATOM 1158 N ASP A 790 14.846 -2.200 -4.303 1.00 0.00 N ATOM 1159 CA ASP A 790 13.835 -1.324 -4.862 1.00 0.00 C ATOM 1160 C ASP A 790 12.470 -1.946 -4.666 1.00 0.00 C ATOM 1161 O ASP A 790 12.231 -3.079 -5.087 1.00 0.00 O ATOM 1162 CB ASP A 790 14.095 -1.066 -6.348 1.00 0.00 C ATOM 1163 CG ASP A 790 15.505 -0.581 -6.621 1.00 0.00 C ATOM 1164 OD1 ASP A 790 16.318 -1.373 -7.142 1.00 0.00 O ATOM 1165 OD2 ASP A 790 15.813 0.588 -6.308 1.00 0.00 O ATOM 0 H ASP A 790 14.846 -3.149 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 790 13.875 -0.365 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 790 13.916 -1.984 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 790 13.384 -0.326 -6.714 1.00 0.00 H new ATOM 1170 N TYR A 791 11.587 -1.224 -4.004 1.00 0.00 N ATOM 1171 CA TYR A 791 10.268 -1.742 -3.700 1.00 0.00 C ATOM 1172 C TYR A 791 9.184 -0.919 -4.365 1.00 0.00 C ATOM 1173 O TYR A 791 9.348 0.269 -4.617 1.00 0.00 O ATOM 1174 CB TYR A 791 10.033 -1.780 -2.185 1.00 0.00 C ATOM 1175 CG TYR A 791 10.894 -2.787 -1.462 1.00 0.00 C ATOM 1176 CD1 TYR A 791 12.183 -2.468 -1.069 1.00 0.00 C ATOM 1177 CD2 TYR A 791 10.419 -4.060 -1.192 1.00 0.00 C ATOM 1178 CE1 TYR A 791 12.984 -3.396 -0.428 1.00 0.00 C ATOM 1179 CE2 TYR A 791 11.206 -4.992 -0.548 1.00 0.00 C ATOM 1180 CZ TYR A 791 12.489 -4.659 -0.170 1.00 0.00 C ATOM 1181 OH TYR A 791 13.282 -5.597 0.452 1.00 0.00 O ATOM 0 H TYR A 791 11.759 -0.277 -3.666 1.00 0.00 H new ATOM 0 HA TYR A 791 10.220 -2.758 -4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 791 10.223 -0.789 -1.772 1.00 0.00 H new ATOM 0 HB3 TYR A 791 8.984 -2.009 -1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 791 12.569 -1.479 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 791 9.416 -4.327 -1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 791 13.989 -3.135 -0.132 1.00 0.00 H new ATOM 0 HE2 TYR A 791 10.818 -5.979 -0.341 1.00 0.00 H new ATOM 0 HH TYR A 791 13.458 -6.337 -0.165 1.00 0.00 H new ATOM 1191 N ILE A 792 8.089 -1.582 -4.662 1.00 0.00 N ATOM 1192 CA ILE A 792 6.912 -0.954 -5.203 1.00 0.00 C ATOM 1193 C ILE A 792 5.692 -1.413 -4.421 1.00 0.00 C ATOM 1194 O ILE A 792 5.331 -2.588 -4.434 1.00 0.00 O ATOM 1195 CB ILE A 792 6.751 -1.291 -6.695 1.00 0.00 C ATOM 1196 CG1 ILE A 792 7.843 -0.596 -7.501 1.00 0.00 C ATOM 1197 CG2 ILE A 792 5.380 -0.871 -7.190 1.00 0.00 C ATOM 1198 CD1 ILE A 792 8.263 -1.356 -8.730 1.00 0.00 C ATOM 0 H ILE A 792 7.993 -2.589 -4.531 1.00 0.00 H new ATOM 0 HA ILE A 792 7.013 0.128 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 792 6.845 -2.369 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 792 7.490 0.392 -7.798 1.00 0.00 H new ATOM 0 HG13 ILE A 792 8.713 -0.445 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 792 5.284 -1.117 -8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 792 4.612 -1.397 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 792 5.258 0.204 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 792 9.042 -0.801 -9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 792 8.647 -2.334 -8.440 1.00 0.00 H new ATOM 0 HD13 ILE A 792 7.405 -1.484 -9.390 1.00 0.00 H new ATOM 1210 N LEU A 793 5.088 -0.492 -3.705 1.00 0.00 N ATOM 1211 CA LEU A 793 3.894 -0.786 -2.946 1.00 0.00 C ATOM 1212 C LEU A 793 2.682 -0.653 -3.860 1.00 0.00 C ATOM 1213 O LEU A 793 2.337 0.448 -4.289 1.00 0.00 O ATOM 1214 CB LEU A 793 3.790 0.158 -1.746 1.00 0.00 C ATOM 1215 CG LEU A 793 2.572 -0.059 -0.843 1.00 0.00 C ATOM 1216 CD1 LEU A 793 2.932 0.162 0.617 1.00 0.00 C ATOM 1217 CD2 LEU A 793 1.451 0.882 -1.242 1.00 0.00 C ATOM 0 H LEU A 793 5.407 0.474 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 793 3.936 -1.806 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 793 4.692 0.052 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 793 3.771 1.184 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 793 2.239 -1.090 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 793 2.050 0.002 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 793 3.714 -0.539 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 793 3.291 1.182 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 793 0.591 0.719 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 793 1.789 1.913 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 793 1.167 0.691 -2.277 1.00 0.00 H new ATOM 1229 N SER A 794 2.062 -1.776 -4.172 1.00 0.00 N ATOM 1230 CA SER A 794 0.931 -1.797 -5.086 1.00 0.00 C ATOM 1231 C SER A 794 -0.279 -2.432 -4.404 1.00 0.00 C ATOM 1232 O SER A 794 -0.137 -3.377 -3.633 1.00 0.00 O ATOM 1233 CB SER A 794 1.296 -2.576 -6.352 1.00 0.00 C ATOM 1234 OG SER A 794 0.308 -2.415 -7.361 1.00 0.00 O ATOM 0 H SER A 794 2.323 -2.691 -3.805 1.00 0.00 H new ATOM 0 HA SER A 794 0.679 -0.774 -5.365 1.00 0.00 H new ATOM 0 HB2 SER A 794 2.261 -2.234 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 794 1.405 -3.634 -6.112 1.00 0.00 H new ATOM 0 HG SER A 794 0.569 -2.922 -8.158 1.00 0.00 H new ATOM 1240 N LEU A 795 -1.465 -1.898 -4.676 1.00 0.00 N ATOM 1241 CA LEU A 795 -2.688 -2.389 -4.077 1.00 0.00 C ATOM 1242 C LEU A 795 -3.030 -3.785 -4.575 1.00 0.00 C ATOM 1243 O LEU A 795 -2.871 -4.091 -5.755 1.00 0.00 O ATOM 1244 CB LEU A 795 -3.821 -1.439 -4.393 1.00 0.00 C ATOM 1245 CG LEU A 795 -3.620 -0.015 -3.892 1.00 0.00 C ATOM 1246 CD1 LEU A 795 -2.867 0.015 -2.568 1.00 0.00 C ATOM 1247 CD2 LEU A 795 -2.935 0.848 -4.938 1.00 0.00 C ATOM 0 H LEU A 795 -1.599 -1.116 -5.316 1.00 0.00 H new ATOM 0 HA LEU A 795 -2.541 -2.445 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 795 -3.963 -1.412 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 795 -4.740 -1.835 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 795 -4.609 0.407 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 795 -2.743 1.048 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 795 -3.431 -0.537 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 795 -1.887 -0.445 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 795 -2.807 1.858 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 795 -1.960 0.424 -5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 795 -3.547 0.882 -5.839 1.00 0.00 H new ATOM 1259 N VAL A 796 -3.508 -4.625 -3.672 1.00 0.00 N ATOM 1260 CA VAL A 796 -3.852 -5.994 -4.017 1.00 0.00 C ATOM 1261 C VAL A 796 -5.342 -6.142 -4.228 1.00 0.00 C ATOM 1262 O VAL A 796 -5.794 -6.566 -5.293 1.00 0.00 O ATOM 1263 CB VAL A 796 -3.388 -6.981 -2.930 1.00 0.00 C ATOM 1264 CG1 VAL A 796 -3.884 -8.393 -3.212 1.00 0.00 C ATOM 1265 CG2 VAL A 796 -1.887 -6.957 -2.866 1.00 0.00 C ATOM 0 H VAL A 796 -3.667 -4.383 -2.694 1.00 0.00 H new ATOM 0 HA VAL A 796 -3.334 -6.229 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 796 -3.808 -6.676 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 796 -3.538 -9.064 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 796 -4.974 -8.397 -3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 796 -3.495 -8.730 -4.173 1.00 0.00 H new ATOM 0 HG21 VAL A 796 -1.544 -7.652 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 796 -1.477 -7.251 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 796 -1.549 -5.950 -2.620 1.00 0.00 H new ATOM 1275 N SER A 797 -6.107 -5.752 -3.228 1.00 0.00 N ATOM 1276 CA SER A 797 -7.530 -5.982 -3.252 1.00 0.00 C ATOM 1277 C SER A 797 -8.194 -5.305 -2.067 1.00 0.00 C ATOM 1278 O SER A 797 -7.522 -4.718 -1.221 1.00 0.00 O ATOM 1279 CB SER A 797 -7.789 -7.489 -3.218 1.00 0.00 C ATOM 1280 OG SER A 797 -7.291 -8.059 -2.016 1.00 0.00 O ATOM 0 H SER A 797 -5.765 -5.276 -2.393 1.00 0.00 H new ATOM 0 HA SER A 797 -7.953 -5.560 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 797 -8.859 -7.681 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 797 -7.313 -7.964 -4.076 1.00 0.00 H new ATOM 0 HG SER A 797 -7.468 -9.023 -2.013 1.00 0.00 H new ATOM 1286 N ILE A 798 -9.506 -5.391 -2.013 1.00 0.00 N ATOM 1287 CA ILE A 798 -10.268 -4.804 -0.933 1.00 0.00 C ATOM 1288 C ILE A 798 -11.536 -5.613 -0.739 1.00 0.00 C ATOM 1289 O ILE A 798 -11.934 -6.358 -1.629 1.00 0.00 O ATOM 1290 CB ILE A 798 -10.618 -3.331 -1.238 1.00 0.00 C ATOM 1291 CG1 ILE A 798 -10.939 -2.564 0.045 1.00 0.00 C ATOM 1292 CG2 ILE A 798 -11.799 -3.272 -2.190 1.00 0.00 C ATOM 1293 CD1 ILE A 798 -10.834 -1.060 -0.106 1.00 0.00 C ATOM 0 H ILE A 798 -10.072 -5.868 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 798 -9.670 -4.820 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 798 -9.752 -2.861 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 798 -11.948 -2.819 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 798 -10.260 -2.890 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 798 -12.043 -2.231 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 798 -11.543 -3.782 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 798 -12.660 -3.760 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 798 -11.075 -0.581 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 798 -9.818 -0.794 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 798 -11.533 -0.721 -0.871 1.00 0.00 H new ATOM 1305 N LYS A 799 -12.166 -5.480 0.405 1.00 0.00 N ATOM 1306 CA LYS A 799 -13.376 -6.218 0.674 1.00 0.00 C ATOM 1307 C LYS A 799 -14.442 -5.303 1.229 1.00 0.00 C ATOM 1308 O LYS A 799 -14.284 -4.731 2.311 1.00 0.00 O ATOM 1309 CB LYS A 799 -13.096 -7.365 1.633 1.00 0.00 C ATOM 1310 CG LYS A 799 -14.330 -8.026 2.217 1.00 0.00 C ATOM 1311 CD LYS A 799 -14.313 -7.954 3.736 1.00 0.00 C ATOM 1312 CE LYS A 799 -15.180 -9.035 4.342 1.00 0.00 C ATOM 1313 NZ LYS A 799 -15.114 -9.059 5.824 1.00 0.00 N ATOM 0 H LYS A 799 -11.861 -4.869 1.162 1.00 0.00 H new ATOM 0 HA LYS A 799 -13.742 -6.637 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 799 -12.510 -8.121 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 799 -12.480 -6.993 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 799 -15.226 -7.536 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 799 -14.376 -9.067 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 799 -13.290 -8.059 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 799 -14.666 -6.975 4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 799 -16.214 -8.883 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 799 -14.869 -10.005 3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 799 -15.726 -9.818 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 799 -14.134 -9.231 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 799 -15.436 -8.145 6.201 1.00 0.00 H new ATOM 1327 N ASP A 800 -15.494 -5.132 0.450 1.00 0.00 N ATOM 1328 CA ASP A 800 -16.682 -4.427 0.898 1.00 0.00 C ATOM 1329 C ASP A 800 -17.236 -5.114 2.136 1.00 0.00 C ATOM 1330 O ASP A 800 -17.075 -6.325 2.296 1.00 0.00 O ATOM 1331 CB ASP A 800 -17.727 -4.434 -0.219 1.00 0.00 C ATOM 1332 CG ASP A 800 -18.982 -3.670 0.135 1.00 0.00 C ATOM 1333 OD1 ASP A 800 -19.053 -2.465 -0.166 1.00 0.00 O ATOM 1334 OD2 ASP A 800 -19.916 -4.284 0.697 1.00 0.00 O ATOM 0 H ASP A 800 -15.550 -5.477 -0.508 1.00 0.00 H new ATOM 0 HA ASP A 800 -16.431 -3.395 1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 800 -17.289 -4.004 -1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 800 -17.991 -5.465 -0.454 1.00 0.00 H new ATOM 1339 N SER A 801 -17.916 -4.349 2.982 1.00 0.00 N ATOM 1340 CA SER A 801 -18.340 -4.820 4.296 1.00 0.00 C ATOM 1341 C SER A 801 -19.369 -5.949 4.213 1.00 0.00 C ATOM 1342 O SER A 801 -19.709 -6.561 5.228 1.00 0.00 O ATOM 1343 CB SER A 801 -18.891 -3.645 5.102 1.00 0.00 C ATOM 1344 OG SER A 801 -19.676 -2.797 4.283 1.00 0.00 O ATOM 0 H SER A 801 -18.189 -3.388 2.778 1.00 0.00 H new ATOM 0 HA SER A 801 -17.467 -5.236 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 801 -19.494 -4.017 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 801 -18.067 -3.078 5.536 1.00 0.00 H new ATOM 0 HG SER A 801 -20.021 -2.052 4.819 1.00 0.00 H new ATOM 1350 N THR A 802 -19.847 -6.239 3.011 1.00 0.00 N ATOM 1351 CA THR A 802 -20.764 -7.348 2.801 1.00 0.00 C ATOM 1352 C THR A 802 -19.987 -8.602 2.407 1.00 0.00 C ATOM 1353 O THR A 802 -20.557 -9.665 2.163 1.00 0.00 O ATOM 1354 CB THR A 802 -21.797 -7.013 1.709 1.00 0.00 C ATOM 1355 OG1 THR A 802 -21.127 -6.568 0.522 1.00 0.00 O ATOM 1356 CG2 THR A 802 -22.757 -5.933 2.186 1.00 0.00 C ATOM 0 H THR A 802 -19.614 -5.719 2.165 1.00 0.00 H new ATOM 0 HA THR A 802 -21.296 -7.528 3.735 1.00 0.00 H new ATOM 0 HB THR A 802 -22.367 -7.916 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 802 -20.970 -5.602 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 802 -23.477 -5.713 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 802 -23.285 -6.282 3.074 1.00 0.00 H new ATOM 0 HG23 THR A 802 -22.197 -5.030 2.428 1.00 0.00 H new ATOM 1364 N GLY A 803 -18.669 -8.457 2.368 1.00 0.00 N ATOM 1365 CA GLY A 803 -17.795 -9.534 1.963 1.00 0.00 C ATOM 1366 C GLY A 803 -17.681 -9.631 0.462 1.00 0.00 C ATOM 1367 O GLY A 803 -17.754 -10.720 -0.111 1.00 0.00 O ATOM 0 H GLY A 803 -18.185 -7.594 2.615 1.00 0.00 H new ATOM 0 HA2 GLY A 803 -16.805 -9.380 2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 803 -18.172 -10.476 2.360 1.00 0.00 H new ATOM 1371 N CYS A 804 -17.510 -8.486 -0.175 1.00 0.00 N ATOM 1372 CA CYS A 804 -17.322 -8.444 -1.615 1.00 0.00 C ATOM 1373 C CYS A 804 -15.900 -8.004 -1.923 1.00 0.00 C ATOM 1374 O CYS A 804 -15.548 -6.838 -1.739 1.00 0.00 O ATOM 1375 CB CYS A 804 -18.334 -7.496 -2.268 1.00 0.00 C ATOM 1376 SG CYS A 804 -18.242 -7.436 -4.072 1.00 0.00 S ATOM 0 H CYS A 804 -17.497 -7.574 0.281 1.00 0.00 H new ATOM 0 HA CYS A 804 -17.487 -9.440 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 804 -19.339 -7.801 -1.977 1.00 0.00 H new ATOM 0 HB3 CYS A 804 -18.179 -6.491 -1.875 1.00 0.00 H new ATOM 0 HG CYS A 804 -19.138 -6.610 -4.525 1.00 0.00 H new ATOM 1382 N VAL A 805 -15.082 -8.943 -2.367 1.00 0.00 N ATOM 1383 CA VAL A 805 -13.681 -8.663 -2.628 1.00 0.00 C ATOM 1384 C VAL A 805 -13.512 -8.115 -4.034 1.00 0.00 C ATOM 1385 O VAL A 805 -13.851 -8.768 -5.022 1.00 0.00 O ATOM 1386 CB VAL A 805 -12.801 -9.916 -2.450 1.00 0.00 C ATOM 1387 CG1 VAL A 805 -11.335 -9.531 -2.338 1.00 0.00 C ATOM 1388 CG2 VAL A 805 -13.239 -10.719 -1.232 1.00 0.00 C ATOM 0 H VAL A 805 -15.364 -9.905 -2.554 1.00 0.00 H new ATOM 0 HA VAL A 805 -13.355 -7.919 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 805 -12.925 -10.544 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 805 -10.731 -10.430 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 805 -11.026 -9.009 -3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 805 -11.195 -8.877 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 805 -12.603 -11.598 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 805 -13.153 -10.101 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 805 -14.275 -11.034 -1.357 1.00 0.00 H new ATOM 1398 N VAL A 806 -13.000 -6.905 -4.103 1.00 0.00 N ATOM 1399 CA VAL A 806 -12.842 -6.195 -5.355 1.00 0.00 C ATOM 1400 C VAL A 806 -11.373 -6.123 -5.745 1.00 0.00 C ATOM 1401 O VAL A 806 -10.500 -5.928 -4.896 1.00 0.00 O ATOM 1402 CB VAL A 806 -13.451 -4.777 -5.246 1.00 0.00 C ATOM 1403 CG1 VAL A 806 -13.010 -3.879 -6.388 1.00 0.00 C ATOM 1404 CG2 VAL A 806 -14.964 -4.873 -5.215 1.00 0.00 C ATOM 0 H VAL A 806 -12.680 -6.383 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 806 -13.374 -6.739 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 806 -13.089 -4.329 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 806 -13.461 -2.894 -6.271 1.00 0.00 H new ATOM 0 HG12 VAL A 806 -11.924 -3.784 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 806 -13.328 -4.313 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 806 -15.391 -3.873 -5.138 1.00 0.00 H new ATOM 0 HG22 VAL A 806 -15.317 -5.349 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 806 -15.273 -5.466 -4.355 1.00 0.00 H new ATOM 1414 N GLY A 807 -11.111 -6.311 -7.028 1.00 0.00 N ATOM 1415 CA GLY A 807 -9.750 -6.282 -7.523 1.00 0.00 C ATOM 1416 C GLY A 807 -9.233 -4.872 -7.719 1.00 0.00 C ATOM 1417 O GLY A 807 -9.690 -4.143 -8.602 1.00 0.00 O ATOM 0 H GLY A 807 -11.820 -6.484 -7.740 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -9.101 -6.809 -6.823 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -9.700 -6.819 -8.470 1.00 0.00 H new ATOM 1421 N LEU A 808 -8.295 -4.491 -6.871 1.00 0.00 N ATOM 1422 CA LEU A 808 -7.653 -3.203 -6.930 1.00 0.00 C ATOM 1423 C LEU A 808 -6.599 -3.110 -8.017 1.00 0.00 C ATOM 1424 O LEU A 808 -5.784 -4.013 -8.193 1.00 0.00 O ATOM 1425 CB LEU A 808 -7.028 -2.917 -5.581 1.00 0.00 C ATOM 1426 CG LEU A 808 -7.976 -2.271 -4.592 1.00 0.00 C ATOM 1427 CD1 LEU A 808 -9.201 -3.122 -4.356 1.00 0.00 C ATOM 1428 CD2 LEU A 808 -7.265 -1.965 -3.286 1.00 0.00 C ATOM 0 H LEU A 808 -7.957 -5.082 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.414 -2.463 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -6.657 -3.850 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -6.165 -2.266 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.314 -1.330 -5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -9.857 -2.625 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -9.732 -3.264 -5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.900 -4.091 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -7.965 -1.501 -2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -6.883 -2.890 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -6.436 -1.283 -3.474 1.00 0.00 H new ATOM 1440 N SER A 809 -6.648 -2.015 -8.755 1.00 0.00 N ATOM 1441 CA SER A 809 -5.598 -1.661 -9.687 1.00 0.00 C ATOM 1442 C SER A 809 -5.516 -0.141 -9.796 1.00 0.00 C ATOM 1443 O SER A 809 -6.130 0.469 -10.674 1.00 0.00 O ATOM 1444 CB SER A 809 -5.868 -2.279 -11.064 1.00 0.00 C ATOM 1445 OG SER A 809 -6.062 -3.682 -10.967 1.00 0.00 O ATOM 0 H SER A 809 -7.418 -1.347 -8.723 1.00 0.00 H new ATOM 0 HA SER A 809 -4.648 -2.052 -9.322 1.00 0.00 H new ATOM 0 HB2 SER A 809 -6.750 -1.817 -11.506 1.00 0.00 H new ATOM 0 HB3 SER A 809 -5.031 -2.070 -11.730 1.00 0.00 H new ATOM 0 HG SER A 809 -6.234 -4.051 -11.859 1.00 0.00 H new ATOM 1451 N GLN A 810 -4.767 0.464 -8.888 1.00 0.00 N ATOM 1452 CA GLN A 810 -4.551 1.906 -8.899 1.00 0.00 C ATOM 1453 C GLN A 810 -3.059 2.214 -8.733 1.00 0.00 C ATOM 1454 O GLN A 810 -2.284 1.293 -8.476 1.00 0.00 O ATOM 1455 CB GLN A 810 -5.395 2.596 -7.820 1.00 0.00 C ATOM 1456 CG GLN A 810 -6.629 3.279 -8.396 1.00 0.00 C ATOM 1457 CD GLN A 810 -7.331 4.188 -7.407 1.00 0.00 C ATOM 1458 OE1 GLN A 810 -8.281 3.631 -6.681 1.00 0.00 O flip ATOM 1459 NE2 GLN A 810 -7.021 5.375 -7.308 1.00 0.00 N flip ATOM 0 H GLN A 810 -4.294 -0.024 -8.127 1.00 0.00 H new ATOM 0 HA GLN A 810 -4.874 2.303 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 810 -5.704 1.860 -7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 810 -4.783 3.334 -7.301 1.00 0.00 H new ATOM 0 HG2 GLN A 810 -6.338 3.861 -9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 810 -7.330 2.518 -8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 810 -6.278 5.759 -7.893 1.00 0.00 H new ATOM 0 HE22 GLN A 810 -7.507 5.975 -6.641 1.00 0.00 H new ATOM 1468 N PRO A 811 -2.630 3.488 -8.906 1.00 0.00 N ATOM 1469 CA PRO A 811 -1.207 3.874 -8.839 1.00 0.00 C ATOM 1470 C PRO A 811 -0.439 3.272 -7.661 1.00 0.00 C ATOM 1471 O PRO A 811 -0.969 3.113 -6.560 1.00 0.00 O ATOM 1472 CB PRO A 811 -1.272 5.391 -8.700 1.00 0.00 C ATOM 1473 CG PRO A 811 -2.502 5.775 -9.439 1.00 0.00 C ATOM 1474 CD PRO A 811 -3.485 4.656 -9.214 1.00 0.00 C ATOM 0 HA PRO A 811 -0.666 3.510 -9.713 1.00 0.00 H new ATOM 0 HB2 PRO A 811 -1.326 5.693 -7.654 1.00 0.00 H new ATOM 0 HB3 PRO A 811 -0.388 5.868 -9.124 1.00 0.00 H new ATOM 0 HG2 PRO A 811 -2.898 6.722 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 811 -2.295 5.905 -10.501 1.00 0.00 H new ATOM 0 HD2 PRO A 811 -4.165 4.881 -8.393 1.00 0.00 H new ATOM 0 HD3 PRO A 811 -4.099 4.480 -10.097 1.00 0.00 H new ATOM 1482 N ASP A 812 0.820 2.949 -7.920 1.00 0.00 N ATOM 1483 CA ASP A 812 1.710 2.360 -6.925 1.00 0.00 C ATOM 1484 C ASP A 812 2.805 3.344 -6.534 1.00 0.00 C ATOM 1485 O ASP A 812 3.008 4.367 -7.195 1.00 0.00 O ATOM 1486 CB ASP A 812 2.343 1.076 -7.462 1.00 0.00 C ATOM 1487 CG ASP A 812 2.987 1.258 -8.823 1.00 0.00 C ATOM 1488 OD1 ASP A 812 2.312 1.009 -9.847 1.00 0.00 O ATOM 1489 OD2 ASP A 812 4.168 1.648 -8.879 1.00 0.00 O ATOM 0 H ASP A 812 1.257 3.088 -8.831 1.00 0.00 H new ATOM 0 HA ASP A 812 1.116 2.122 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 812 3.094 0.724 -6.755 1.00 0.00 H new ATOM 0 HB3 ASP A 812 1.579 0.301 -7.528 1.00 0.00 H new ATOM 1494 N ALA A 813 3.492 3.035 -5.449 1.00 0.00 N ATOM 1495 CA ALA A 813 4.565 3.886 -4.949 1.00 0.00 C ATOM 1496 C ALA A 813 5.883 3.137 -4.972 1.00 0.00 C ATOM 1497 O ALA A 813 5.912 1.924 -4.773 1.00 0.00 O ATOM 1498 CB ALA A 813 4.277 4.356 -3.538 1.00 0.00 C ATOM 0 H ALA A 813 3.327 2.197 -4.892 1.00 0.00 H new ATOM 0 HA ALA A 813 4.629 4.758 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 813 5.094 4.989 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 813 3.347 4.925 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 813 4.182 3.493 -2.879 1.00 0.00 H new ATOM 1504 N LYS A 814 6.967 3.849 -5.198 1.00 0.00 N ATOM 1505 CA LYS A 814 8.282 3.226 -5.209 1.00 0.00 C ATOM 1506 C LYS A 814 9.082 3.631 -3.990 1.00 0.00 C ATOM 1507 O LYS A 814 9.265 4.810 -3.706 1.00 0.00 O ATOM 1508 CB LYS A 814 9.058 3.566 -6.481 1.00 0.00 C ATOM 1509 CG LYS A 814 8.640 2.742 -7.685 1.00 0.00 C ATOM 1510 CD LYS A 814 9.331 3.226 -8.949 1.00 0.00 C ATOM 1511 CE LYS A 814 8.871 2.456 -10.175 1.00 0.00 C ATOM 1512 NZ LYS A 814 9.602 2.870 -11.403 1.00 0.00 N ATOM 0 H LYS A 814 6.969 4.853 -5.376 1.00 0.00 H new ATOM 0 HA LYS A 814 8.126 2.147 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 814 8.921 4.623 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 814 10.122 3.415 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 814 8.883 1.693 -7.513 1.00 0.00 H new ATOM 0 HG3 LYS A 814 7.559 2.802 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 814 9.129 4.288 -9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 814 10.410 3.119 -8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 814 9.018 1.389 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 814 7.802 2.612 -10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 9.257 2.319 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 9.441 3.883 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 10.620 2.698 -11.276 1.00 0.00 H new ATOM 1526 N ILE A 815 9.545 2.632 -3.279 1.00 0.00 N ATOM 1527 CA ILE A 815 10.383 2.823 -2.111 1.00 0.00 C ATOM 1528 C ILE A 815 11.791 2.332 -2.435 1.00 0.00 C ATOM 1529 O ILE A 815 12.021 1.131 -2.581 1.00 0.00 O ATOM 1530 CB ILE A 815 9.842 2.052 -0.884 1.00 0.00 C ATOM 1531 CG1 ILE A 815 8.400 2.463 -0.555 1.00 0.00 C ATOM 1532 CG2 ILE A 815 10.741 2.281 0.319 1.00 0.00 C ATOM 1533 CD1 ILE A 815 7.340 1.584 -1.196 1.00 0.00 C ATOM 0 H ILE A 815 9.352 1.654 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 815 10.388 3.884 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 815 9.839 0.990 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 815 8.266 2.444 0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 815 8.245 3.493 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 815 10.349 1.733 1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 815 11.748 1.929 0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 815 10.772 3.345 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 815 6.350 1.942 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 815 7.443 1.622 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 815 7.465 0.556 -0.855 1.00 0.00 H new ATOM 1545 N GLN A 816 12.723 3.258 -2.567 1.00 0.00 N ATOM 1546 CA GLN A 816 14.079 2.920 -2.962 1.00 0.00 C ATOM 1547 C GLN A 816 14.983 2.860 -1.737 1.00 0.00 C ATOM 1548 O GLN A 816 15.305 3.881 -1.133 1.00 0.00 O ATOM 1549 CB GLN A 816 14.603 3.937 -3.976 1.00 0.00 C ATOM 1550 CG GLN A 816 15.900 3.513 -4.646 1.00 0.00 C ATOM 1551 CD GLN A 816 17.124 4.176 -4.048 1.00 0.00 C ATOM 1552 OE1 GLN A 816 17.545 5.245 -4.490 1.00 0.00 O ATOM 1553 NE2 GLN A 816 17.712 3.548 -3.043 1.00 0.00 N ATOM 0 H GLN A 816 12.566 4.253 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 816 14.076 1.938 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 816 13.844 4.099 -4.741 1.00 0.00 H new ATOM 0 HB3 GLN A 816 14.758 4.892 -3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 816 16.006 2.431 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 816 15.848 3.752 -5.708 1.00 0.00 H new ATOM 0 HE21 GLN A 816 17.334 2.663 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 816 18.543 3.948 -2.608 1.00 0.00 H new ATOM 1562 N VAL A 817 15.392 1.654 -1.384 1.00 0.00 N ATOM 1563 CA VAL A 817 16.214 1.426 -0.203 1.00 0.00 C ATOM 1564 C VAL A 817 17.647 1.129 -0.634 1.00 0.00 C ATOM 1565 O VAL A 817 17.862 0.541 -1.690 1.00 0.00 O ATOM 1566 CB VAL A 817 15.664 0.242 0.625 1.00 0.00 C ATOM 1567 CG1 VAL A 817 16.172 0.284 2.057 1.00 0.00 C ATOM 1568 CG2 VAL A 817 14.144 0.234 0.598 1.00 0.00 C ATOM 0 H VAL A 817 15.166 0.806 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 817 16.193 2.322 0.418 1.00 0.00 H new ATOM 0 HB VAL A 817 16.026 -0.680 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 817 15.767 -0.562 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 817 17.261 0.231 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 817 15.853 1.213 2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 817 13.774 -0.606 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 817 13.768 1.166 1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 817 13.799 0.136 -0.431 1.00 0.00 H new ATOM 1578 N ARG A 818 18.626 1.551 0.151 1.00 0.00 N ATOM 1579 CA ARG A 818 20.022 1.320 -0.207 1.00 0.00 C ATOM 1580 C ARG A 818 20.846 0.864 0.988 1.00 0.00 C ATOM 1581 O ARG A 818 20.767 1.435 2.070 1.00 0.00 O ATOM 1582 CB ARG A 818 20.635 2.590 -0.810 1.00 0.00 C ATOM 1583 CG ARG A 818 22.146 2.525 -0.991 1.00 0.00 C ATOM 1584 CD ARG A 818 22.544 1.540 -2.073 1.00 0.00 C ATOM 1585 NE ARG A 818 23.986 1.300 -2.088 1.00 0.00 N ATOM 1586 CZ ARG A 818 24.664 0.855 -3.140 1.00 0.00 C ATOM 1587 NH1 ARG A 818 24.051 0.653 -4.302 1.00 0.00 N ATOM 1588 NH2 ARG A 818 25.963 0.625 -3.029 1.00 0.00 N ATOM 0 H ARG A 818 18.486 2.049 1.030 1.00 0.00 H new ATOM 0 HA ARG A 818 20.040 0.521 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 818 20.172 2.780 -1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 818 20.393 3.437 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 818 22.524 3.515 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 818 22.612 2.237 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A 818 22.021 0.597 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 818 22.229 1.921 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 818 24.507 1.487 -1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 818 23.052 0.840 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 818 24.579 0.311 -5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 818 26.436 0.790 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 818 26.491 0.283 -3.832 1.00 0.00 H new