USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 772 SER OG : rot -130:sc= 1.01 USER MOD Set 1.2: A 781 THR OG1 : rot 142:sc= 1.24 USER MOD Set 2.1: A 759 HIS : no HD1:sc= -3.02 K(o=-4,f=-6.8!) USER MOD Set 2.2: A 769 HIS : no HE2:sc= -1.01 X(o=-4,f=-4.3) USER MOD Single : A 728 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.052) USER MOD Single : A 732 MET CE :methyl -164:sc= -0.0189 (180deg=-0.235) USER MOD Single : A 737 MET CE :methyl -169:sc= -0.387 (180deg=-0.558) USER MOD Single : A 739 SER OG : rot 180:sc= 0 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0321) USER MOD Single : A 742 MET CE :methyl 161:sc=-0.00932 (180deg=-0.772) USER MOD Single : A 743 GLN : amide:sc= -0.056 X(o=-0.056,f=-0.33) USER MOD Single : A 749 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 751 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 760 GLN : amide:sc= 0.778 K(o=0.78,f=-5.5!) USER MOD Single : A 765 HIS : no HE2:sc= 0.92 K(o=0.92,f=-5.6!) USER MOD Single : A 771 SER OG : rot -27:sc= 0.683 USER MOD Single : A 776 LYS NZ :NH3+ -164:sc= -0.115 (180deg=-0.534) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ -108:sc= 0.633 (180deg=-0.228) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 725 -3.050 6.677 -13.866 1.00 1.00 N ATOM 2 CA GLY A 725 -2.226 5.463 -13.877 1.00 1.00 C ATOM 3 C GLY A 725 -1.150 5.556 -12.813 1.00 1.00 C ATOM 4 O GLY A 725 -0.756 6.656 -12.419 1.00 1.00 O ATOM 0 HA2 GLY A 725 -2.851 4.588 -13.698 1.00 1.00 H new ATOM 0 HA3 GLY A 725 -1.769 5.333 -14.858 1.00 1.00 H new ATOM 8 N VAL A 726 -0.670 4.414 -12.324 1.00 1.00 N ATOM 9 CA VAL A 726 0.388 4.348 -11.322 1.00 1.00 C ATOM 10 C VAL A 726 1.309 3.200 -11.700 1.00 1.00 C ATOM 11 O VAL A 726 0.833 2.116 -12.048 1.00 1.00 O ATOM 12 CB VAL A 726 -0.203 4.181 -9.919 1.00 1.00 C ATOM 13 CG1 VAL A 726 0.830 3.841 -8.833 1.00 1.00 C ATOM 14 CG2 VAL A 726 -0.989 5.423 -9.459 1.00 1.00 C ATOM 0 H VAL A 726 -1.010 3.498 -12.617 1.00 1.00 H new ATOM 0 HA VAL A 726 0.960 5.276 -11.300 1.00 1.00 H new ATOM 0 HB VAL A 726 -0.875 3.330 -10.028 1.00 1.00 H new ATOM 0 HG11 VAL A 726 0.327 3.740 -7.871 1.00 1.00 H new ATOM 0 HG12 VAL A 726 1.326 2.903 -9.083 1.00 1.00 H new ATOM 0 HG13 VAL A 726 1.571 4.638 -8.773 1.00 1.00 H new ATOM 0 HG21 VAL A 726 -1.387 5.252 -8.459 1.00 1.00 H new ATOM 0 HG22 VAL A 726 -0.326 6.288 -9.443 1.00 1.00 H new ATOM 0 HG23 VAL A 726 -1.812 5.609 -10.149 1.00 1.00 H new ATOM 24 N ASP A 727 2.616 3.425 -11.600 1.00 1.00 N ATOM 25 CA ASP A 727 3.613 2.393 -11.818 1.00 1.00 C ATOM 26 C ASP A 727 4.572 2.262 -10.650 1.00 1.00 C ATOM 27 O ASP A 727 4.850 1.141 -10.253 1.00 1.00 O ATOM 28 CB ASP A 727 4.360 2.579 -13.130 1.00 1.00 C ATOM 29 CG ASP A 727 5.176 1.316 -13.389 1.00 1.00 C ATOM 30 OD1 ASP A 727 4.548 0.248 -13.566 1.00 1.00 O ATOM 31 OD2 ASP A 727 6.426 1.406 -13.417 1.00 1.00 O ATOM 0 H ASP A 727 3.011 4.335 -11.364 1.00 1.00 H new ATOM 0 HA ASP A 727 3.064 1.454 -11.891 1.00 1.00 H new ATOM 0 HB2 ASP A 727 3.659 2.754 -13.946 1.00 1.00 H new ATOM 0 HB3 ASP A 727 5.013 3.451 -13.077 1.00 1.00 H new ATOM 36 N HIS A 728 5.019 3.365 -10.039 1.00 1.00 N ATOM 37 CA HIS A 728 6.019 3.319 -8.969 1.00 1.00 C ATOM 38 C HIS A 728 5.523 2.441 -7.817 1.00 1.00 C ATOM 39 O HIS A 728 6.115 1.411 -7.484 1.00 1.00 O ATOM 40 CB HIS A 728 6.334 4.745 -8.474 1.00 1.00 C ATOM 41 CG HIS A 728 6.718 5.728 -9.552 1.00 1.00 C ATOM 42 ND1 HIS A 728 6.422 7.075 -9.560 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.419 5.449 -10.693 1.00 1.00 C ATOM 44 CE1 HIS A 728 6.916 7.594 -10.695 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.551 6.645 -11.405 1.00 1.00 N ATOM 0 H HIS A 728 4.701 4.306 -10.270 1.00 1.00 H new ATOM 0 HA HIS A 728 6.937 2.881 -9.362 1.00 1.00 H new ATOM 0 HB2 HIS A 728 5.461 5.131 -7.947 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.146 4.690 -7.749 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.800 4.483 -10.989 1.00 1.00 H new ATOM 0 HE1 HIS A 728 6.817 8.627 -10.995 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.036 6.773 -12.293 1.00 1.00 H new ATOM 53 N PHE A 729 4.387 2.827 -7.229 1.00 1.00 N ATOM 54 CA PHE A 729 3.824 2.065 -6.127 1.00 1.00 C ATOM 55 C PHE A 729 3.407 0.699 -6.635 1.00 1.00 C ATOM 56 O PHE A 729 3.634 -0.271 -5.937 1.00 1.00 O ATOM 57 CB PHE A 729 2.625 2.765 -5.478 1.00 1.00 C ATOM 58 CG PHE A 729 2.768 4.263 -5.346 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.985 4.835 -4.923 1.00 1.00 C ATOM 60 CD2 PHE A 729 1.700 5.088 -5.738 1.00 1.00 C ATOM 61 CE1 PHE A 729 4.126 6.230 -4.902 1.00 1.00 C ATOM 62 CE2 PHE A 729 1.857 6.477 -5.751 1.00 1.00 C ATOM 63 CZ PHE A 729 3.056 7.045 -5.301 1.00 1.00 C ATOM 0 H PHE A 729 3.850 3.652 -7.498 1.00 1.00 H new ATOM 0 HA PHE A 729 4.592 1.973 -5.359 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.733 2.549 -6.066 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.465 2.340 -4.487 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.805 4.202 -4.617 1.00 1.00 H new ATOM 0 HD2 PHE A 729 0.757 4.649 -6.029 1.00 1.00 H new ATOM 0 HE1 PHE A 729 5.055 6.676 -4.580 1.00 1.00 H new ATOM 0 HE2 PHE A 729 1.057 7.110 -6.107 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.157 8.119 -5.261 1.00 1.00 H new ATOM 73 N ARG A 730 2.818 0.603 -7.831 1.00 1.00 N ATOM 74 CA ARG A 730 2.342 -0.658 -8.389 1.00 1.00 C ATOM 75 C ARG A 730 3.484 -1.666 -8.396 1.00 1.00 C ATOM 76 O ARG A 730 3.299 -2.746 -7.848 1.00 1.00 O ATOM 77 CB ARG A 730 1.729 -0.388 -9.781 1.00 1.00 C ATOM 78 CG ARG A 730 0.846 -1.495 -10.376 1.00 1.00 C ATOM 79 CD ARG A 730 1.635 -2.725 -10.828 1.00 1.00 C ATOM 80 NE ARG A 730 0.797 -3.744 -11.479 1.00 1.00 N ATOM 81 CZ ARG A 730 0.041 -4.672 -10.875 1.00 1.00 C ATOM 82 NH1 ARG A 730 -0.251 -4.571 -9.580 1.00 1.00 N ATOM 83 NH2 ARG A 730 -0.390 -5.720 -11.566 1.00 1.00 N ATOM 0 H ARG A 730 2.659 1.406 -8.440 1.00 1.00 H new ATOM 0 HA ARG A 730 1.552 -1.097 -7.780 1.00 1.00 H new ATOM 0 HB2 ARG A 730 1.135 0.524 -9.719 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.543 -0.191 -10.478 1.00 1.00 H new ATOM 0 HG2 ARG A 730 0.108 -1.799 -9.634 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.296 -1.093 -11.227 1.00 1.00 H new ATOM 0 HD2 ARG A 730 2.418 -2.413 -11.519 1.00 1.00 H new ATOM 0 HD3 ARG A 730 2.130 -3.169 -9.964 1.00 1.00 H new ATOM 0 HE ARG A 730 0.790 -3.745 -12.499 1.00 1.00 H new ATOM 0 HH11 ARG A 730 0.101 -3.782 -9.038 1.00 1.00 H new ATOM 0 HH12 ARG A 730 -0.827 -5.282 -9.130 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -0.146 -5.816 -12.552 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -0.965 -6.429 -11.111 1.00 1.00 H new ATOM 97 N ALA A 731 4.640 -1.317 -8.953 1.00 1.00 N ATOM 98 CA ALA A 731 5.829 -2.146 -8.958 1.00 1.00 C ATOM 99 C ALA A 731 6.265 -2.491 -7.535 1.00 1.00 C ATOM 100 O ALA A 731 6.521 -3.661 -7.260 1.00 1.00 O ATOM 101 CB ALA A 731 6.930 -1.420 -9.733 1.00 1.00 C ATOM 0 H ALA A 731 4.773 -0.423 -9.425 1.00 1.00 H new ATOM 0 HA ALA A 731 5.616 -3.094 -9.452 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.831 -2.033 -9.745 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.598 -1.243 -10.756 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.146 -0.466 -9.251 1.00 1.00 H new ATOM 107 N MET A 732 6.288 -1.523 -6.609 1.00 1.00 N ATOM 108 CA MET A 732 6.599 -1.814 -5.211 1.00 1.00 C ATOM 109 C MET A 732 5.652 -2.867 -4.625 1.00 1.00 C ATOM 110 O MET A 732 6.095 -3.815 -3.977 1.00 1.00 O ATOM 111 CB MET A 732 6.539 -0.533 -4.375 1.00 1.00 C ATOM 112 CG MET A 732 7.567 0.542 -4.753 1.00 1.00 C ATOM 113 SD MET A 732 9.022 0.725 -3.681 1.00 1.00 S ATOM 114 CE MET A 732 8.272 1.191 -2.097 1.00 1.00 C ATOM 0 H MET A 732 6.096 -0.540 -6.804 1.00 1.00 H new ATOM 0 HA MET A 732 7.610 -2.220 -5.178 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.540 -0.106 -4.465 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.680 -0.795 -3.326 1.00 1.00 H new ATOM 0 HG2 MET A 732 7.918 0.331 -5.763 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.052 1.502 -4.788 1.00 1.00 H new ATOM 0 HE1 MET A 732 9.037 1.605 -1.440 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.497 1.938 -2.267 1.00 1.00 H new ATOM 0 HE3 MET A 732 7.831 0.310 -1.630 1.00 1.00 H new ATOM 124 N ILE A 733 4.345 -2.709 -4.846 1.00 1.00 N ATOM 125 CA ILE A 733 3.337 -3.659 -4.394 1.00 1.00 C ATOM 126 C ILE A 733 3.546 -5.015 -5.077 1.00 1.00 C ATOM 127 O ILE A 733 3.403 -6.038 -4.426 1.00 1.00 O ATOM 128 CB ILE A 733 1.869 -3.138 -4.511 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.671 -1.670 -4.061 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.982 -4.037 -3.634 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.365 -1.240 -3.382 1.00 1.00 C ATOM 0 H ILE A 733 3.958 -1.910 -5.348 1.00 1.00 H new ATOM 0 HA ILE A 733 3.481 -3.789 -3.321 1.00 1.00 H new ATOM 0 HB ILE A 733 1.604 -3.172 -5.568 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.485 -1.429 -3.377 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.799 -1.042 -4.943 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.052 -3.698 -3.695 1.00 1.00 H new ATOM 0 HG22 ILE A 733 1.047 -5.067 -3.985 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.321 -3.985 -2.599 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.413 -0.178 -3.140 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.472 -1.421 -4.056 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.225 -1.814 -2.466 1.00 1.00 H new ATOM 143 N VAL A 734 3.906 -5.059 -6.354 1.00 1.00 N ATOM 144 CA VAL A 734 4.160 -6.303 -7.084 1.00 1.00 C ATOM 145 C VAL A 734 5.390 -7.029 -6.517 1.00 1.00 C ATOM 146 O VAL A 734 5.383 -8.262 -6.401 1.00 1.00 O ATOM 147 CB VAL A 734 4.207 -5.982 -8.592 1.00 1.00 C ATOM 148 CG1 VAL A 734 4.726 -7.120 -9.465 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.774 -5.706 -9.072 1.00 1.00 C ATOM 0 H VAL A 734 4.032 -4.222 -6.923 1.00 1.00 H new ATOM 0 HA VAL A 734 3.352 -7.022 -6.949 1.00 1.00 H new ATOM 0 HB VAL A 734 4.887 -5.136 -8.693 1.00 1.00 H new ATOM 0 HG11 VAL A 734 4.725 -6.807 -10.509 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.742 -7.375 -9.164 1.00 1.00 H new ATOM 0 HG13 VAL A 734 4.083 -7.992 -9.347 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.785 -5.477 -10.138 1.00 1.00 H new ATOM 0 HG22 VAL A 734 2.156 -6.586 -8.897 1.00 1.00 H new ATOM 0 HG23 VAL A 734 2.363 -4.859 -8.523 1.00 1.00 H new ATOM 159 N GLU A 735 6.427 -6.296 -6.114 1.00 1.00 N ATOM 160 CA GLU A 735 7.577 -6.898 -5.460 1.00 1.00 C ATOM 161 C GLU A 735 7.130 -7.438 -4.097 1.00 1.00 C ATOM 162 O GLU A 735 7.418 -8.583 -3.759 1.00 1.00 O ATOM 163 CB GLU A 735 8.704 -5.866 -5.360 1.00 1.00 C ATOM 164 CG GLU A 735 9.917 -6.433 -4.614 1.00 1.00 C ATOM 165 CD GLU A 735 11.190 -5.698 -5.016 1.00 1.00 C ATOM 166 OE1 GLU A 735 11.342 -4.499 -4.690 1.00 1.00 O ATOM 167 OE2 GLU A 735 12.049 -6.316 -5.686 1.00 1.00 O ATOM 0 H GLU A 735 6.490 -5.285 -6.231 1.00 1.00 H new ATOM 0 HA GLU A 735 7.972 -7.736 -6.035 1.00 1.00 H new ATOM 0 HB2 GLU A 735 9.004 -5.554 -6.361 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.341 -4.977 -4.844 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.763 -6.343 -3.539 1.00 1.00 H new ATOM 0 HG3 GLU A 735 10.020 -7.496 -4.833 1.00 1.00 H new ATOM 174 N PHE A 736 6.350 -6.662 -3.343 1.00 1.00 N ATOM 175 CA PHE A 736 5.775 -7.081 -2.069 1.00 1.00 C ATOM 176 C PHE A 736 4.867 -8.312 -2.235 1.00 1.00 C ATOM 177 O PHE A 736 4.828 -9.162 -1.345 1.00 1.00 O ATOM 178 CB PHE A 736 5.050 -5.876 -1.459 1.00 1.00 C ATOM 179 CG PHE A 736 4.343 -6.078 -0.133 1.00 1.00 C ATOM 180 CD1 PHE A 736 4.978 -6.703 0.961 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.033 -5.580 0.015 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.271 -6.873 2.165 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.336 -5.734 1.221 1.00 1.00 C ATOM 184 CZ PHE A 736 2.949 -6.417 2.280 1.00 1.00 C ATOM 0 H PHE A 736 6.097 -5.710 -3.607 1.00 1.00 H new ATOM 0 HA PHE A 736 6.560 -7.402 -1.385 1.00 1.00 H new ATOM 0 HB2 PHE A 736 5.778 -5.075 -1.333 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.313 -5.526 -2.182 1.00 1.00 H new ATOM 0 HD1 PHE A 736 5.998 -7.048 0.875 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.560 -5.073 -0.813 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.748 -7.357 3.005 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.340 -5.332 1.333 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.399 -6.594 3.193 1.00 1.00 H new ATOM 194 N MET A 737 4.176 -8.455 -3.371 1.00 1.00 N ATOM 195 CA MET A 737 3.357 -9.612 -3.712 1.00 1.00 C ATOM 196 C MET A 737 4.225 -10.852 -3.907 1.00 1.00 C ATOM 197 O MET A 737 3.874 -11.907 -3.374 1.00 1.00 O ATOM 198 CB MET A 737 2.496 -9.352 -4.958 1.00 1.00 C ATOM 199 CG MET A 737 1.266 -8.471 -4.705 1.00 1.00 C ATOM 200 SD MET A 737 0.043 -9.111 -3.533 1.00 1.00 S ATOM 201 CE MET A 737 -0.497 -10.603 -4.405 1.00 1.00 C ATOM 0 H MET A 737 4.175 -7.741 -4.100 1.00 1.00 H new ATOM 0 HA MET A 737 2.681 -9.790 -2.876 1.00 1.00 H new ATOM 0 HB2 MET A 737 3.115 -8.880 -5.721 1.00 1.00 H new ATOM 0 HB3 MET A 737 2.166 -10.309 -5.363 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.609 -7.501 -4.345 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.767 -8.299 -5.659 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.383 -11.009 -3.917 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.734 -10.354 -5.439 1.00 1.00 H new ATOM 0 HE3 MET A 737 0.301 -11.345 -4.384 1.00 1.00 H new ATOM 211 N ALA A 738 5.333 -10.759 -4.650 1.00 1.00 N ATOM 212 CA ALA A 738 6.256 -11.889 -4.792 1.00 1.00 C ATOM 213 C ALA A 738 6.941 -12.213 -3.457 1.00 1.00 C ATOM 214 O ALA A 738 7.170 -13.376 -3.121 1.00 1.00 O ATOM 215 CB ALA A 738 7.308 -11.566 -5.851 1.00 1.00 C ATOM 0 H ALA A 738 5.611 -9.920 -5.159 1.00 1.00 H new ATOM 0 HA ALA A 738 5.683 -12.763 -5.102 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.992 -12.409 -5.953 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.817 -11.379 -6.806 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.867 -10.680 -5.550 1.00 1.00 H new ATOM 221 N SER A 739 7.289 -11.185 -2.690 1.00 1.00 N ATOM 222 CA SER A 739 7.928 -11.279 -1.391 1.00 1.00 C ATOM 223 C SER A 739 7.017 -12.010 -0.392 1.00 1.00 C ATOM 224 O SER A 739 7.465 -12.919 0.311 1.00 1.00 O ATOM 225 CB SER A 739 8.256 -9.841 -0.975 1.00 1.00 C ATOM 226 OG SER A 739 9.127 -9.753 0.124 1.00 1.00 O ATOM 0 H SER A 739 7.123 -10.220 -2.975 1.00 1.00 H new ATOM 0 HA SER A 739 8.844 -11.869 -1.420 1.00 1.00 H new ATOM 0 HB2 SER A 739 8.702 -9.320 -1.823 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.328 -9.322 -0.734 1.00 1.00 H new ATOM 0 HG SER A 739 9.295 -8.811 0.334 1.00 1.00 H new ATOM 232 N LYS A 740 5.735 -11.621 -0.338 1.00 1.00 N ATOM 233 CA LYS A 740 4.707 -12.089 0.595 1.00 1.00 C ATOM 234 C LYS A 740 5.222 -12.182 2.027 1.00 1.00 C ATOM 235 O LYS A 740 5.044 -13.197 2.700 1.00 1.00 O ATOM 236 CB LYS A 740 3.904 -13.297 0.071 1.00 1.00 C ATOM 237 CG LYS A 740 4.676 -14.615 -0.135 1.00 1.00 C ATOM 238 CD LYS A 740 3.746 -15.768 -0.552 1.00 1.00 C ATOM 239 CE LYS A 740 2.739 -16.128 0.550 1.00 1.00 C ATOM 240 NZ LYS A 740 1.907 -17.296 0.202 1.00 1.00 N ATOM 0 H LYS A 740 5.368 -10.926 -0.988 1.00 1.00 H new ATOM 0 HA LYS A 740 3.942 -11.315 0.650 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.087 -13.488 0.767 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.453 -13.017 -0.881 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.441 -14.472 -0.898 1.00 1.00 H new ATOM 0 HG3 LYS A 740 5.192 -14.881 0.787 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.207 -15.489 -1.457 1.00 1.00 H new ATOM 0 HD3 LYS A 740 4.345 -16.646 -0.796 1.00 1.00 H new ATOM 0 HE2 LYS A 740 3.277 -16.333 1.475 1.00 1.00 H new ATOM 0 HE3 LYS A 740 2.093 -15.271 0.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 1.246 -17.495 0.980 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 1.370 -17.094 -0.666 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 2.518 -18.123 0.047 1.00 1.00 H new ATOM 253 N LYS A 741 5.887 -11.113 2.478 1.00 1.00 N ATOM 254 CA LYS A 741 6.472 -11.061 3.807 1.00 1.00 C ATOM 255 C LYS A 741 5.420 -10.831 4.880 1.00 1.00 C ATOM 256 O LYS A 741 4.881 -11.813 5.386 1.00 1.00 O ATOM 257 CB LYS A 741 7.560 -9.982 3.787 1.00 1.00 C ATOM 258 CG LYS A 741 8.849 -10.550 3.194 1.00 1.00 C ATOM 259 CD LYS A 741 9.661 -11.298 4.261 1.00 1.00 C ATOM 260 CE LYS A 741 10.772 -12.138 3.640 1.00 1.00 C ATOM 261 NZ LYS A 741 11.715 -11.329 2.852 1.00 1.00 N ATOM 0 H LYS A 741 6.030 -10.266 1.928 1.00 1.00 H new ATOM 0 HA LYS A 741 6.922 -12.019 4.066 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.225 -9.127 3.199 1.00 1.00 H new ATOM 0 HB3 LYS A 741 7.744 -9.621 4.799 1.00 1.00 H new ATOM 0 HG2 LYS A 741 8.609 -11.226 2.374 1.00 1.00 H new ATOM 0 HG3 LYS A 741 9.449 -9.742 2.776 1.00 1.00 H new ATOM 0 HD2 LYS A 741 10.094 -10.580 4.958 1.00 1.00 H new ATOM 0 HD3 LYS A 741 8.997 -11.942 4.838 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.315 -12.657 4.429 1.00 1.00 H new ATOM 0 HE3 LYS A 741 10.331 -12.902 3.000 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 12.505 -11.927 2.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 11.226 -10.935 2.023 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.081 -10.553 3.439 1.00 1.00 H new ATOM 274 N MET A 742 4.992 -9.591 5.129 1.00 1.00 N ATOM 275 CA MET A 742 4.005 -9.296 6.165 1.00 1.00 C ATOM 276 C MET A 742 3.281 -7.999 5.854 1.00 1.00 C ATOM 277 O MET A 742 2.078 -8.036 5.610 1.00 1.00 O ATOM 278 CB MET A 742 4.668 -9.172 7.559 1.00 1.00 C ATOM 279 CG MET A 742 4.977 -10.478 8.298 1.00 1.00 C ATOM 280 SD MET A 742 3.522 -11.333 8.978 1.00 1.00 S ATOM 281 CE MET A 742 3.416 -12.789 7.901 1.00 1.00 C ATOM 0 H MET A 742 5.319 -8.769 4.621 1.00 1.00 H new ATOM 0 HA MET A 742 3.297 -10.124 6.181 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.600 -8.619 7.443 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.016 -8.570 8.192 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.491 -11.153 7.614 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.668 -10.263 9.113 1.00 1.00 H new ATOM 0 HE1 MET A 742 2.811 -13.556 8.385 1.00 1.00 H new ATOM 0 HE2 MET A 742 2.956 -12.508 6.953 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.417 -13.179 7.717 1.00 1.00 H new ATOM 291 N GLN A 743 3.968 -6.857 5.872 1.00 1.00 N ATOM 292 CA GLN A 743 3.362 -5.545 5.686 1.00 1.00 C ATOM 293 C GLN A 743 4.387 -4.545 5.154 1.00 1.00 C ATOM 294 O GLN A 743 5.592 -4.759 5.294 1.00 1.00 O ATOM 295 CB GLN A 743 2.620 -5.097 6.961 1.00 1.00 C ATOM 296 CG GLN A 743 3.400 -5.190 8.281 1.00 1.00 C ATOM 297 CD GLN A 743 4.415 -4.068 8.451 1.00 1.00 C ATOM 298 OE1 GLN A 743 4.071 -2.899 8.305 1.00 1.00 O ATOM 299 NE2 GLN A 743 5.642 -4.392 8.810 1.00 1.00 N ATOM 0 H GLN A 743 4.977 -6.820 6.019 1.00 1.00 H new ATOM 0 HA GLN A 743 2.593 -5.602 4.916 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.303 -4.063 6.825 1.00 1.00 H new ATOM 0 HB3 GLN A 743 1.715 -5.697 7.057 1.00 1.00 H new ATOM 0 HG2 GLN A 743 2.698 -5.167 9.114 1.00 1.00 H new ATOM 0 HG3 GLN A 743 3.916 -6.149 8.325 1.00 1.00 H new ATOM 0 HE21 GLN A 743 5.898 -5.373 8.923 1.00 1.00 H new ATOM 0 HE22 GLN A 743 6.335 -3.662 8.974 1.00 1.00 H new ATOM 308 N LEU A 744 3.896 -3.494 4.502 1.00 1.00 N ATOM 309 CA LEU A 744 4.668 -2.463 3.828 1.00 1.00 C ATOM 310 C LEU A 744 3.966 -1.145 4.132 1.00 1.00 C ATOM 311 O LEU A 744 2.755 -1.005 3.915 1.00 1.00 O ATOM 312 CB LEU A 744 4.742 -2.780 2.323 1.00 1.00 C ATOM 313 CG LEU A 744 5.742 -1.929 1.512 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.827 -2.495 0.092 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.371 -0.447 1.422 1.00 1.00 C ATOM 0 H LEU A 744 2.891 -3.334 4.428 1.00 1.00 H new ATOM 0 HA LEU A 744 5.701 -2.408 4.172 1.00 1.00 H new ATOM 0 HB2 LEU A 744 5.006 -3.831 2.204 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.749 -2.650 1.893 1.00 1.00 H new ATOM 0 HG LEU A 744 6.695 -1.983 2.038 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.531 -1.904 -0.494 1.00 1.00 H new ATOM 0 HD12 LEU A 744 6.168 -3.529 0.132 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.843 -2.456 -0.375 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.123 0.081 0.836 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.398 -0.344 0.941 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.327 -0.021 2.425 1.00 1.00 H new ATOM 327 N GLU A 745 4.718 -0.201 4.683 1.00 1.00 N ATOM 328 CA GLU A 745 4.272 1.110 5.078 1.00 1.00 C ATOM 329 C GLU A 745 4.551 2.080 3.923 1.00 1.00 C ATOM 330 O GLU A 745 5.713 2.375 3.622 1.00 1.00 O ATOM 331 CB GLU A 745 5.105 1.478 6.311 1.00 1.00 C ATOM 332 CG GLU A 745 4.876 0.556 7.520 1.00 1.00 C ATOM 333 CD GLU A 745 6.027 0.693 8.515 1.00 1.00 C ATOM 334 OE1 GLU A 745 7.030 -0.050 8.371 1.00 1.00 O ATOM 335 OE2 GLU A 745 5.961 1.569 9.413 1.00 1.00 O ATOM 0 H GLU A 745 5.709 -0.347 4.873 1.00 1.00 H new ATOM 0 HA GLU A 745 3.207 1.149 5.307 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.161 1.453 6.043 1.00 1.00 H new ATOM 0 HB3 GLU A 745 4.873 2.503 6.600 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.934 0.809 8.006 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.795 -0.479 7.187 1.00 1.00 H new ATOM 342 N PHE A 746 3.508 2.618 3.294 1.00 1.00 N ATOM 343 CA PHE A 746 3.609 3.635 2.252 1.00 1.00 C ATOM 344 C PHE A 746 3.467 5.003 2.961 1.00 1.00 C ATOM 345 O PHE A 746 2.646 5.138 3.871 1.00 1.00 O ATOM 346 CB PHE A 746 2.590 3.359 1.129 1.00 1.00 C ATOM 347 CG PHE A 746 3.009 2.315 0.104 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.083 2.585 -0.767 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.309 1.098 -0.033 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.468 1.657 -1.748 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.705 0.163 -1.005 1.00 1.00 C ATOM 352 CZ PHE A 746 3.782 0.441 -1.860 1.00 1.00 C ATOM 0 H PHE A 746 2.545 2.351 3.501 1.00 1.00 H new ATOM 0 HA PHE A 746 4.568 3.625 1.734 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.652 3.040 1.584 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.389 4.295 0.607 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.618 3.519 -0.679 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.468 0.884 0.610 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.289 1.880 -2.413 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.177 -0.775 -1.094 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.082 -0.282 -2.604 1.00 1.00 H new ATOM 362 N PRO A 747 4.239 6.030 2.573 1.00 1.00 N ATOM 363 CA PRO A 747 4.275 7.322 3.258 1.00 1.00 C ATOM 364 C PRO A 747 3.022 8.212 3.135 1.00 1.00 C ATOM 365 O PRO A 747 2.224 8.064 2.209 1.00 1.00 O ATOM 366 CB PRO A 747 5.495 8.026 2.647 1.00 1.00 C ATOM 367 CG PRO A 747 5.532 7.492 1.219 1.00 1.00 C ATOM 368 CD PRO A 747 5.137 6.035 1.429 1.00 1.00 C ATOM 0 HA PRO A 747 4.324 7.149 4.333 1.00 1.00 H new ATOM 0 HB2 PRO A 747 5.386 9.110 2.668 1.00 1.00 H new ATOM 0 HB3 PRO A 747 6.410 7.787 3.189 1.00 1.00 H new ATOM 0 HG2 PRO A 747 4.834 8.016 0.567 1.00 1.00 H new ATOM 0 HG3 PRO A 747 6.521 7.588 0.771 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.645 5.631 0.544 1.00 1.00 H new ATOM 0 HD3 PRO A 747 6.014 5.415 1.617 1.00 1.00 H new ATOM 376 N PRO A 748 2.888 9.230 4.012 1.00 1.00 N ATOM 377 CA PRO A 748 1.829 10.236 3.970 1.00 1.00 C ATOM 378 C PRO A 748 1.889 11.080 2.703 1.00 1.00 C ATOM 379 O PRO A 748 0.883 11.704 2.355 1.00 1.00 O ATOM 380 CB PRO A 748 2.017 11.147 5.183 1.00 1.00 C ATOM 381 CG PRO A 748 3.482 10.949 5.556 1.00 1.00 C ATOM 382 CD PRO A 748 3.761 9.505 5.142 1.00 1.00 C ATOM 0 HA PRO A 748 0.862 9.733 3.980 1.00 1.00 H new ATOM 0 HB2 PRO A 748 1.802 12.188 4.940 1.00 1.00 H new ATOM 0 HB3 PRO A 748 1.354 10.867 6.001 1.00 1.00 H new ATOM 0 HG2 PRO A 748 4.129 11.650 5.029 1.00 1.00 H new ATOM 0 HG3 PRO A 748 3.649 11.101 6.622 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.807 9.375 4.866 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.560 8.819 5.965 1.00 1.00 H new ATOM 390 N SER A 749 3.059 11.175 2.061 1.00 1.00 N ATOM 391 CA SER A 749 3.296 11.932 0.843 1.00 1.00 C ATOM 392 C SER A 749 2.182 11.728 -0.183 1.00 1.00 C ATOM 393 O SER A 749 1.815 12.678 -0.876 1.00 1.00 O ATOM 394 CB SER A 749 4.625 11.487 0.231 1.00 1.00 C ATOM 395 OG SER A 749 5.644 11.317 1.197 1.00 1.00 O ATOM 0 H SER A 749 3.898 10.703 2.397 1.00 1.00 H new ATOM 0 HA SER A 749 3.322 12.990 1.104 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.477 10.549 -0.304 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.947 12.225 -0.504 1.00 1.00 H new ATOM 0 HG SER A 749 6.470 11.031 0.754 1.00 1.00 H new ATOM 401 N LEU A 750 1.621 10.516 -0.242 1.00 1.00 N ATOM 402 CA LEU A 750 0.529 10.141 -1.123 1.00 1.00 C ATOM 403 C LEU A 750 -0.653 11.055 -0.822 1.00 1.00 C ATOM 404 O LEU A 750 -1.263 10.980 0.247 1.00 1.00 O ATOM 405 CB LEU A 750 0.259 8.639 -0.911 1.00 1.00 C ATOM 406 CG LEU A 750 1.228 7.689 -1.675 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.350 8.377 -2.463 1.00 1.00 C ATOM 408 CD2 LEU A 750 1.883 6.656 -0.767 1.00 1.00 C ATOM 0 H LEU A 750 1.933 9.745 0.349 1.00 1.00 H new ATOM 0 HA LEU A 750 0.753 10.273 -2.182 1.00 1.00 H new ATOM 0 HB2 LEU A 750 0.322 8.419 0.155 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.763 8.420 -1.222 1.00 1.00 H new ATOM 0 HG LEU A 750 0.556 7.215 -2.390 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.964 7.623 -2.955 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.915 9.038 -3.213 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.969 8.960 -1.781 1.00 1.00 H new ATOM 0 HD21 LEU A 750 2.547 6.023 -1.356 1.00 1.00 H new ATOM 0 HD22 LEU A 750 2.458 7.164 0.007 1.00 1.00 H new ATOM 0 HD23 LEU A 750 1.113 6.040 -0.302 1.00 1.00 H new ATOM 420 N ASN A 751 -0.982 11.891 -1.808 1.00 1.00 N ATOM 421 CA ASN A 751 -1.992 12.927 -1.687 1.00 1.00 C ATOM 422 C ASN A 751 -3.403 12.387 -1.824 1.00 1.00 C ATOM 423 O ASN A 751 -4.120 12.277 -0.825 1.00 1.00 O ATOM 424 CB ASN A 751 -1.749 14.064 -2.693 1.00 1.00 C ATOM 425 CG ASN A 751 -0.394 14.748 -2.568 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.419 14.708 -3.484 1.00 1.00 O ATOM 427 ND2 ASN A 751 -0.107 15.418 -1.469 1.00 1.00 N ATOM 0 H ASN A 751 -0.542 11.861 -2.728 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.899 13.329 -0.678 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.847 13.664 -3.702 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.531 14.813 -2.569 1.00 1.00 H new ATOM 0 HD21 ASN A 751 0.788 15.900 -1.384 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.780 15.455 -0.704 1.00 1.00 H new ATOM 434 N SER A 752 -3.790 11.992 -3.040 1.00 1.00 N ATOM 435 CA SER A 752 -5.161 11.578 -3.299 1.00 1.00 C ATOM 436 C SER A 752 -5.193 10.352 -4.203 1.00 1.00 C ATOM 437 O SER A 752 -5.505 9.262 -3.719 1.00 1.00 O ATOM 438 CB SER A 752 -5.928 12.778 -3.894 1.00 1.00 C ATOM 439 OG SER A 752 -5.569 14.013 -3.280 1.00 1.00 O ATOM 0 H SER A 752 -3.174 11.952 -3.852 1.00 1.00 H new ATOM 0 HA SER A 752 -5.652 11.280 -2.372 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.730 12.837 -4.964 1.00 1.00 H new ATOM 0 HB3 SER A 752 -6.999 12.615 -3.776 1.00 1.00 H new ATOM 0 HG SER A 752 -6.079 14.743 -3.690 1.00 1.00 H new ATOM 445 N HIS A 753 -4.767 10.495 -5.463 1.00 1.00 N ATOM 446 CA HIS A 753 -4.816 9.408 -6.435 1.00 1.00 C ATOM 447 C HIS A 753 -3.888 8.282 -5.996 1.00 1.00 C ATOM 448 O HIS A 753 -4.180 7.108 -6.204 1.00 1.00 O ATOM 449 CB HIS A 753 -4.408 9.915 -7.826 1.00 1.00 C ATOM 450 CG HIS A 753 -5.336 10.966 -8.384 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.373 10.740 -9.261 1.00 1.00 N ATOM 452 CD2 HIS A 753 -5.300 12.309 -8.123 1.00 1.00 C ATOM 453 CE1 HIS A 753 -6.953 11.923 -9.521 1.00 1.00 C ATOM 454 NE2 HIS A 753 -6.343 12.904 -8.836 1.00 1.00 N ATOM 0 H HIS A 753 -4.381 11.364 -5.832 1.00 1.00 H new ATOM 0 HA HIS A 753 -5.837 9.030 -6.490 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.399 10.325 -7.772 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.373 9.071 -8.515 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -4.594 12.816 -7.482 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -7.791 12.065 -10.187 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -6.593 13.893 -8.836 1.00 1.00 H new ATOM 462 N ASP A 754 -2.771 8.642 -5.363 1.00 1.00 N ATOM 463 CA ASP A 754 -1.725 7.754 -4.943 1.00 1.00 C ATOM 464 C ASP A 754 -2.309 6.779 -3.920 1.00 1.00 C ATOM 465 O ASP A 754 -2.248 5.566 -4.096 1.00 1.00 O ATOM 466 CB ASP A 754 -0.632 8.601 -4.281 1.00 1.00 C ATOM 467 CG ASP A 754 -0.329 9.948 -4.910 1.00 1.00 C ATOM 468 OD1 ASP A 754 -1.122 10.882 -4.645 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.694 10.091 -5.614 1.00 1.00 O ATOM 0 H ASP A 754 -2.577 9.614 -5.125 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.311 7.198 -5.784 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.916 8.768 -3.242 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.289 8.018 -4.270 1.00 1.00 H new ATOM 474 N ARG A 755 -2.908 7.331 -2.854 1.00 1.00 N ATOM 475 CA ARG A 755 -3.524 6.591 -1.763 1.00 1.00 C ATOM 476 C ARG A 755 -4.624 5.701 -2.328 1.00 1.00 C ATOM 477 O ARG A 755 -4.612 4.498 -2.071 1.00 1.00 O ATOM 478 CB ARG A 755 -4.021 7.581 -0.689 1.00 1.00 C ATOM 479 CG ARG A 755 -4.906 6.902 0.364 1.00 1.00 C ATOM 480 CD ARG A 755 -5.244 7.808 1.553 1.00 1.00 C ATOM 481 NE ARG A 755 -6.432 7.297 2.264 1.00 1.00 N ATOM 482 CZ ARG A 755 -7.686 7.759 2.156 1.00 1.00 C ATOM 483 NH1 ARG A 755 -7.968 8.848 1.451 1.00 1.00 N ATOM 484 NH2 ARG A 755 -8.685 7.123 2.749 1.00 1.00 N ATOM 0 H ARG A 755 -2.974 8.341 -2.732 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.805 5.936 -1.271 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -3.164 8.041 -0.198 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -4.582 8.383 -1.169 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -5.832 6.574 -0.108 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -4.401 6.008 0.730 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -4.396 7.855 2.236 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -5.429 8.824 1.204 1.00 1.00 H new ATOM 0 HE ARG A 755 -6.284 6.514 2.901 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -7.222 9.355 0.975 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -8.931 9.178 1.385 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -8.502 6.278 3.290 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -9.637 7.478 2.664 1.00 1.00 H new ATOM 498 N LEU A 756 -5.545 6.277 -3.104 1.00 1.00 N ATOM 499 CA LEU A 756 -6.632 5.548 -3.747 1.00 1.00 C ATOM 500 C LEU A 756 -6.116 4.321 -4.479 1.00 1.00 C ATOM 501 O LEU A 756 -6.651 3.223 -4.304 1.00 1.00 O ATOM 502 CB LEU A 756 -7.421 6.484 -4.653 1.00 1.00 C ATOM 503 CG LEU A 756 -8.432 5.811 -5.610 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.565 6.793 -5.901 1.00 1.00 C ATOM 505 CD2 LEU A 756 -7.825 5.410 -6.965 1.00 1.00 C ATOM 0 H LEU A 756 -5.554 7.277 -3.304 1.00 1.00 H new ATOM 0 HA LEU A 756 -7.315 5.179 -2.982 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.961 7.193 -4.026 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.714 7.060 -5.250 1.00 1.00 H new ATOM 0 HG LEU A 756 -8.772 4.905 -5.108 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.285 6.329 -6.575 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -10.062 7.061 -4.969 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.158 7.691 -6.367 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -8.592 4.944 -7.584 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -7.442 6.297 -7.469 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -7.010 4.704 -6.804 1.00 1.00 H new ATOM 517 N ARG A 757 -5.082 4.493 -5.303 1.00 1.00 N ATOM 518 CA ARG A 757 -4.600 3.396 -6.114 1.00 1.00 C ATOM 519 C ARG A 757 -3.911 2.369 -5.225 1.00 1.00 C ATOM 520 O ARG A 757 -4.175 1.191 -5.417 1.00 1.00 O ATOM 521 CB ARG A 757 -3.733 3.932 -7.248 1.00 1.00 C ATOM 522 CG ARG A 757 -3.619 2.949 -8.419 1.00 1.00 C ATOM 523 CD ARG A 757 -4.919 2.787 -9.239 1.00 1.00 C ATOM 524 NE ARG A 757 -5.548 1.459 -9.096 1.00 1.00 N ATOM 525 CZ ARG A 757 -5.005 0.281 -9.433 1.00 1.00 C ATOM 526 NH1 ARG A 757 -3.835 0.245 -10.062 1.00 1.00 N ATOM 527 NH2 ARG A 757 -5.594 -0.864 -9.118 1.00 1.00 N ATOM 0 H ARG A 757 -4.575 5.370 -5.420 1.00 1.00 H new ATOM 0 HA ARG A 757 -5.426 2.873 -6.595 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -4.152 4.872 -7.607 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.736 4.152 -6.865 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -2.823 3.284 -9.084 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -3.323 1.974 -8.033 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -5.631 3.552 -8.930 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -4.699 2.964 -10.292 1.00 1.00 H new ATOM 0 HE ARG A 757 -6.488 1.436 -8.702 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -3.351 1.114 -10.288 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -3.421 -0.651 -10.319 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -6.478 -0.860 -8.609 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -5.163 -1.749 -9.384 1.00 1.00 H new ATOM 541 N VAL A 758 -3.098 2.768 -4.239 1.00 1.00 N ATOM 542 CA VAL A 758 -2.489 1.827 -3.288 1.00 1.00 C ATOM 543 C VAL A 758 -3.579 0.940 -2.669 1.00 1.00 C ATOM 544 O VAL A 758 -3.431 -0.286 -2.680 1.00 1.00 O ATOM 545 CB VAL A 758 -1.626 2.570 -2.236 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.166 1.667 -1.077 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.355 3.142 -2.888 1.00 1.00 C ATOM 0 H VAL A 758 -2.845 3.743 -4.078 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.799 1.169 -3.816 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.269 3.356 -1.840 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.567 2.250 -0.377 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -2.038 1.265 -0.561 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.567 0.846 -1.471 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.239 3.660 -2.135 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.232 2.329 -3.316 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.634 3.842 -3.675 1.00 1.00 H new ATOM 557 N HIS A 759 -4.682 1.534 -2.188 1.00 1.00 N ATOM 558 CA HIS A 759 -5.815 0.778 -1.667 1.00 1.00 C ATOM 559 C HIS A 759 -6.333 -0.206 -2.719 1.00 1.00 C ATOM 560 O HIS A 759 -6.452 -1.391 -2.433 1.00 1.00 O ATOM 561 CB HIS A 759 -6.949 1.708 -1.214 1.00 1.00 C ATOM 562 CG HIS A 759 -6.671 2.490 0.045 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.521 1.980 1.311 1.00 1.00 N ATOM 564 CD2 HIS A 759 -6.578 3.849 0.141 1.00 1.00 C ATOM 565 CE1 HIS A 759 -6.291 3.007 2.147 1.00 1.00 C ATOM 566 NE2 HIS A 759 -6.351 4.174 1.484 1.00 1.00 N ATOM 0 H HIS A 759 -4.807 2.546 -2.152 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.467 0.220 -0.798 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -7.165 2.410 -2.019 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.848 1.111 -1.061 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.664 4.550 -0.676 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -6.087 2.908 3.203 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.251 5.109 1.879 1.00 1.00 H new ATOM 574 N GLN A 760 -6.642 0.270 -3.926 1.00 1.00 N ATOM 575 CA GLN A 760 -7.206 -0.542 -4.991 1.00 1.00 C ATOM 576 C GLN A 760 -6.304 -1.728 -5.355 1.00 1.00 C ATOM 577 O GLN A 760 -6.807 -2.846 -5.344 1.00 1.00 O ATOM 578 CB GLN A 760 -7.489 0.337 -6.211 1.00 1.00 C ATOM 579 CG GLN A 760 -8.765 1.185 -6.084 1.00 1.00 C ATOM 580 CD GLN A 760 -9.011 2.036 -7.330 1.00 1.00 C ATOM 581 OE1 GLN A 760 -8.209 2.046 -8.263 1.00 1.00 O ATOM 582 NE2 GLN A 760 -10.129 2.733 -7.405 1.00 1.00 N ATOM 0 H GLN A 760 -6.503 1.246 -4.189 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.143 -0.968 -4.634 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.639 0.999 -6.375 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.573 -0.298 -7.093 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.621 0.531 -5.917 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.684 1.834 -5.212 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.790 2.721 -6.629 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -10.332 3.284 -8.239 1.00 1.00 H new ATOM 591 N ILE A 761 -5.020 -1.537 -5.680 1.00 1.00 N ATOM 592 CA ILE A 761 -4.053 -2.605 -5.939 1.00 1.00 C ATOM 593 C ILE A 761 -4.112 -3.625 -4.805 1.00 1.00 C ATOM 594 O ILE A 761 -4.252 -4.826 -5.043 1.00 1.00 O ATOM 595 CB ILE A 761 -2.648 -1.975 -6.094 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.641 -0.935 -7.228 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.604 -3.065 -6.391 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.331 -0.157 -7.403 1.00 1.00 C ATOM 0 H ILE A 761 -4.615 -0.605 -5.772 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.288 -3.133 -6.863 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.394 -1.479 -5.157 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.869 -1.443 -8.165 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.445 -0.222 -7.048 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.620 -2.607 -6.498 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.583 -3.782 -5.571 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.867 -3.579 -7.316 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.434 0.548 -8.228 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.106 0.387 -6.486 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.521 -0.853 -7.620 1.00 1.00 H new ATOM 610 N ALA A 762 -4.030 -3.146 -3.564 1.00 1.00 N ATOM 611 CA ALA A 762 -4.065 -4.013 -2.404 1.00 1.00 C ATOM 612 C ALA A 762 -5.348 -4.849 -2.350 1.00 1.00 C ATOM 613 O ALA A 762 -5.295 -6.036 -2.034 1.00 1.00 O ATOM 614 CB ALA A 762 -3.851 -3.135 -1.166 1.00 1.00 C ATOM 0 H ALA A 762 -3.938 -2.154 -3.344 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.267 -4.754 -2.454 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.871 -3.757 -0.271 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.886 -2.634 -1.238 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.644 -2.389 -1.108 1.00 1.00 H new ATOM 620 N GLU A 763 -6.484 -4.236 -2.667 1.00 1.00 N ATOM 621 CA GLU A 763 -7.799 -4.854 -2.661 1.00 1.00 C ATOM 622 C GLU A 763 -8.039 -5.778 -3.862 1.00 1.00 C ATOM 623 O GLU A 763 -8.955 -6.601 -3.837 1.00 1.00 O ATOM 624 CB GLU A 763 -8.843 -3.727 -2.673 1.00 1.00 C ATOM 625 CG GLU A 763 -10.175 -4.146 -2.034 1.00 1.00 C ATOM 626 CD GLU A 763 -11.362 -3.979 -2.974 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.446 -2.948 -3.678 1.00 1.00 O ATOM 628 OE2 GLU A 763 -12.254 -4.859 -2.947 1.00 1.00 O ATOM 0 H GLU A 763 -6.511 -3.255 -2.946 1.00 1.00 H new ATOM 0 HA GLU A 763 -7.876 -5.478 -1.770 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.445 -2.863 -2.140 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -9.021 -3.413 -3.702 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.110 -5.188 -1.721 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -10.343 -3.553 -1.135 1.00 1.00 H new ATOM 635 N GLU A 764 -7.329 -5.578 -4.971 1.00 1.00 N ATOM 636 CA GLU A 764 -7.364 -6.422 -6.141 1.00 1.00 C ATOM 637 C GLU A 764 -6.577 -7.699 -5.866 1.00 1.00 C ATOM 638 O GLU A 764 -6.946 -8.795 -6.308 1.00 1.00 O ATOM 639 CB GLU A 764 -6.713 -5.650 -7.294 1.00 1.00 C ATOM 640 CG GLU A 764 -7.218 -6.245 -8.592 1.00 1.00 C ATOM 641 CD GLU A 764 -6.493 -5.681 -9.805 1.00 1.00 C ATOM 642 OE1 GLU A 764 -6.496 -4.442 -9.996 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.926 -6.480 -10.588 1.00 1.00 O ATOM 0 H GLU A 764 -6.691 -4.789 -5.073 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.390 -6.689 -6.395 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -6.965 -4.591 -7.235 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -5.627 -5.723 -7.237 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -7.092 -7.327 -8.567 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -8.286 -6.051 -8.687 1.00 1.00 H new ATOM 650 N HIS A 765 -5.463 -7.544 -5.159 1.00 1.00 N ATOM 651 CA HIS A 765 -4.596 -8.599 -4.760 1.00 1.00 C ATOM 652 C HIS A 765 -5.121 -9.147 -3.427 1.00 1.00 C ATOM 653 O HIS A 765 -6.302 -9.053 -3.089 1.00 1.00 O ATOM 654 CB HIS A 765 -3.176 -8.048 -4.769 1.00 1.00 C ATOM 655 CG HIS A 765 -2.746 -7.545 -6.133 1.00 1.00 C ATOM 656 ND1 HIS A 765 -3.193 -7.936 -7.381 1.00 1.00 N ATOM 657 CD2 HIS A 765 -1.890 -6.508 -6.324 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.598 -7.141 -8.289 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.769 -6.268 -7.696 1.00 1.00 N ATOM 0 H HIS A 765 -5.142 -6.628 -4.844 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.574 -9.458 -5.431 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.103 -7.234 -4.048 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.488 -8.827 -4.441 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -3.853 -8.689 -7.578 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.385 -5.958 -5.543 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.765 -7.198 -9.354 1.00 1.00 H new ATOM 667 N GLY A 766 -4.224 -9.757 -2.678 1.00 1.00 N ATOM 668 CA GLY A 766 -4.450 -10.456 -1.440 1.00 1.00 C ATOM 669 C GLY A 766 -3.990 -9.650 -0.242 1.00 1.00 C ATOM 670 O GLY A 766 -3.284 -10.202 0.614 1.00 1.00 O ATOM 0 H GLY A 766 -3.240 -9.775 -2.946 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -5.512 -10.682 -1.339 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -3.922 -11.409 -1.460 1.00 1.00 H new ATOM 674 N LEU A 767 -4.315 -8.348 -0.197 1.00 1.00 N ATOM 675 CA LEU A 767 -3.816 -7.491 0.863 1.00 1.00 C ATOM 676 C LEU A 767 -4.924 -6.833 1.670 1.00 1.00 C ATOM 677 O LEU A 767 -6.075 -6.707 1.236 1.00 1.00 O ATOM 678 CB LEU A 767 -2.944 -6.353 0.294 1.00 1.00 C ATOM 679 CG LEU A 767 -1.879 -6.677 -0.755 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.993 -5.472 -1.071 1.00 1.00 C ATOM 681 CD2 LEU A 767 -0.925 -7.734 -0.246 1.00 1.00 C ATOM 0 H LEU A 767 -4.914 -7.881 -0.878 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.239 -8.151 1.510 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.615 -5.612 -0.139 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.441 -5.875 1.134 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.434 -7.002 -1.635 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.253 -5.751 -1.821 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.609 -4.658 -1.455 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.485 -5.146 -0.163 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.177 -7.947 -1.010 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.430 -7.374 0.656 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.479 -8.644 -0.017 1.00 1.00 H new ATOM 693 N ARG A 768 -4.530 -6.370 2.854 1.00 1.00 N ATOM 694 CA ARG A 768 -5.351 -5.593 3.762 1.00 1.00 C ATOM 695 C ARG A 768 -4.711 -4.227 3.711 1.00 1.00 C ATOM 696 O ARG A 768 -3.572 -4.096 4.147 1.00 1.00 O ATOM 697 CB ARG A 768 -5.338 -6.130 5.199 1.00 1.00 C ATOM 698 CG ARG A 768 -6.226 -5.235 6.082 1.00 1.00 C ATOM 699 CD ARG A 768 -6.479 -5.811 7.473 1.00 1.00 C ATOM 700 NE ARG A 768 -7.318 -7.013 7.405 1.00 1.00 N ATOM 701 CZ ARG A 768 -7.727 -7.747 8.438 1.00 1.00 C ATOM 702 NH1 ARG A 768 -7.415 -7.425 9.684 1.00 1.00 N ATOM 703 NH2 ARG A 768 -8.439 -8.840 8.211 1.00 1.00 N ATOM 0 H ARG A 768 -3.591 -6.536 3.216 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.401 -5.613 3.471 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.702 -7.157 5.219 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.319 -6.145 5.585 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.756 -4.257 6.183 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -7.182 -5.079 5.582 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.528 -6.054 7.947 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -6.964 -5.061 8.098 1.00 1.00 H new ATOM 0 HE ARG A 768 -7.616 -7.315 6.478 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -6.849 -6.597 9.870 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -7.741 -8.004 10.457 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -8.668 -9.110 7.254 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -8.759 -9.412 8.993 1.00 1.00 H new ATOM 717 N HIS A 769 -5.367 -3.255 3.101 1.00 1.00 N ATOM 718 CA HIS A 769 -4.900 -1.881 3.091 1.00 1.00 C ATOM 719 C HIS A 769 -5.555 -1.207 4.288 1.00 1.00 C ATOM 720 O HIS A 769 -6.717 -1.485 4.600 1.00 1.00 O ATOM 721 CB HIS A 769 -5.315 -1.189 1.787 1.00 1.00 C ATOM 722 CG HIS A 769 -6.729 -1.522 1.360 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.900 -0.982 1.857 1.00 1.00 N ATOM 724 CD2 HIS A 769 -7.069 -2.603 0.588 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.917 -1.722 1.382 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.455 -2.735 0.628 1.00 1.00 N ATOM 0 H HIS A 769 -6.242 -3.398 2.597 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.813 -1.825 3.152 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.224 -0.110 1.911 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.625 -1.478 0.994 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.978 -0.171 2.471 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.384 -3.238 0.046 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.961 -1.529 1.579 1.00 1.00 H new ATOM 734 N ASP A 770 -4.831 -0.318 4.950 1.00 1.00 N ATOM 735 CA ASP A 770 -5.362 0.444 6.073 1.00 1.00 C ATOM 736 C ASP A 770 -4.512 1.681 6.321 1.00 1.00 C ATOM 737 O ASP A 770 -3.384 1.769 5.831 1.00 1.00 O ATOM 738 CB ASP A 770 -5.326 -0.446 7.322 1.00 1.00 C ATOM 739 CG ASP A 770 -6.183 0.041 8.490 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.949 1.019 8.344 1.00 1.00 O ATOM 741 OD2 ASP A 770 -6.112 -0.655 9.533 1.00 1.00 O ATOM 0 H ASP A 770 -3.859 -0.103 4.725 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.382 0.756 5.850 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.653 -1.448 7.045 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -4.293 -0.530 7.660 1.00 1.00 H new ATOM 746 N SER A 771 -5.024 2.627 7.094 1.00 1.00 N ATOM 747 CA SER A 771 -4.290 3.805 7.501 1.00 1.00 C ATOM 748 C SER A 771 -3.731 3.595 8.896 1.00 1.00 C ATOM 749 O SER A 771 -4.275 2.853 9.722 1.00 1.00 O ATOM 750 CB SER A 771 -5.201 5.017 7.459 1.00 1.00 C ATOM 751 OG SER A 771 -5.686 5.180 6.134 1.00 1.00 O ATOM 0 H SER A 771 -5.976 2.593 7.459 1.00 1.00 H new ATOM 0 HA SER A 771 -3.460 3.978 6.816 1.00 1.00 H new ATOM 0 HB2 SER A 771 -6.032 4.888 8.152 1.00 1.00 H new ATOM 0 HB3 SER A 771 -4.658 5.908 7.774 1.00 1.00 H new ATOM 0 HG SER A 771 -5.042 4.801 5.501 1.00 1.00 H new ATOM 757 N SER A 772 -2.652 4.313 9.155 1.00 1.00 N ATOM 758 CA SER A 772 -1.875 4.209 10.374 1.00 1.00 C ATOM 759 C SER A 772 -1.303 5.573 10.755 1.00 1.00 C ATOM 760 O SER A 772 -1.292 6.487 9.925 1.00 1.00 O ATOM 761 CB SER A 772 -0.761 3.188 10.123 1.00 1.00 C ATOM 762 OG SER A 772 -1.247 1.929 9.673 1.00 1.00 O ATOM 0 H SER A 772 -2.283 5.004 8.502 1.00 1.00 H new ATOM 0 HA SER A 772 -2.498 3.881 11.206 1.00 1.00 H new ATOM 0 HB2 SER A 772 -0.069 3.589 9.382 1.00 1.00 H new ATOM 0 HB3 SER A 772 -0.195 3.044 11.043 1.00 1.00 H new ATOM 0 HG SER A 772 -0.852 1.214 10.214 1.00 1.00 H new ATOM 768 N GLY A 773 -0.808 5.702 11.987 1.00 1.00 N ATOM 769 CA GLY A 773 -0.132 6.894 12.484 1.00 1.00 C ATOM 770 C GLY A 773 -0.636 7.313 13.853 1.00 1.00 C ATOM 771 O GLY A 773 -1.613 6.756 14.343 1.00 1.00 O ATOM 0 H GLY A 773 -0.870 4.959 12.683 1.00 1.00 H new ATOM 0 HA2 GLY A 773 0.940 6.706 12.536 1.00 1.00 H new ATOM 0 HA3 GLY A 773 -0.278 7.713 11.779 1.00 1.00 H new ATOM 775 N GLU A 774 0.045 8.258 14.500 1.00 1.00 N ATOM 776 CA GLU A 774 -0.405 8.822 15.767 1.00 1.00 C ATOM 777 C GLU A 774 -0.461 10.342 15.649 1.00 1.00 C ATOM 778 O GLU A 774 -1.554 10.901 15.601 1.00 1.00 O ATOM 779 CB GLU A 774 0.501 8.338 16.906 1.00 1.00 C ATOM 780 CG GLU A 774 -0.045 8.736 18.280 1.00 1.00 C ATOM 781 CD GLU A 774 0.996 8.481 19.365 1.00 1.00 C ATOM 782 OE1 GLU A 774 1.305 7.302 19.646 1.00 1.00 O ATOM 783 OE2 GLU A 774 1.515 9.482 19.918 1.00 1.00 O ATOM 0 H GLU A 774 0.922 8.652 14.160 1.00 1.00 H new ATOM 0 HA GLU A 774 -1.412 8.479 16.005 1.00 1.00 H new ATOM 0 HB2 GLU A 774 0.600 7.254 16.855 1.00 1.00 H new ATOM 0 HB3 GLU A 774 1.500 8.756 16.778 1.00 1.00 H new ATOM 0 HG2 GLU A 774 -0.323 9.790 18.276 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -0.950 8.168 18.496 1.00 1.00 H new ATOM 790 N GLY A 775 0.690 11.003 15.496 1.00 1.00 N ATOM 791 CA GLY A 775 0.793 12.456 15.437 1.00 1.00 C ATOM 792 C GLY A 775 0.794 12.929 13.992 1.00 1.00 C ATOM 793 O GLY A 775 0.010 12.443 13.177 1.00 1.00 O ATOM 0 H GLY A 775 1.590 10.531 15.409 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -0.041 12.908 15.974 1.00 1.00 H new ATOM 0 HA3 GLY A 775 1.706 12.783 15.934 1.00 1.00 H new ATOM 797 N LYS A 776 1.727 13.811 13.614 1.00 1.00 N ATOM 798 CA LYS A 776 1.897 14.249 12.219 1.00 1.00 C ATOM 799 C LYS A 776 2.568 13.141 11.383 1.00 1.00 C ATOM 800 O LYS A 776 3.124 13.396 10.315 1.00 1.00 O ATOM 801 CB LYS A 776 2.747 15.538 12.178 1.00 1.00 C ATOM 802 CG LYS A 776 2.032 16.795 12.698 1.00 1.00 C ATOM 803 CD LYS A 776 2.058 17.045 14.214 1.00 1.00 C ATOM 804 CE LYS A 776 3.306 17.795 14.701 1.00 1.00 C ATOM 805 NZ LYS A 776 4.542 16.992 14.621 1.00 1.00 N ATOM 0 H LYS A 776 2.385 14.242 14.263 1.00 1.00 H new ATOM 0 HA LYS A 776 0.915 14.454 11.792 1.00 1.00 H new ATOM 0 HB2 LYS A 776 3.650 15.380 12.767 1.00 1.00 H new ATOM 0 HB3 LYS A 776 3.064 15.716 11.150 1.00 1.00 H new ATOM 0 HG2 LYS A 776 2.473 17.662 12.206 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.990 16.745 12.382 1.00 1.00 H new ATOM 0 HD2 LYS A 776 1.172 17.615 14.493 1.00 1.00 H new ATOM 0 HD3 LYS A 776 1.997 16.087 14.731 1.00 1.00 H new ATOM 0 HE2 LYS A 776 3.431 18.701 14.107 1.00 1.00 H new ATOM 0 HE3 LYS A 776 3.152 18.109 15.733 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 5.282 17.436 15.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 4.355 16.032 14.973 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 4.860 16.942 13.632 1.00 1.00 H new ATOM 818 N ARG A 777 2.457 11.890 11.826 1.00 1.00 N ATOM 819 CA ARG A 777 3.048 10.678 11.289 1.00 1.00 C ATOM 820 C ARG A 777 1.963 9.768 10.757 1.00 1.00 C ATOM 821 O ARG A 777 1.908 8.600 11.122 1.00 1.00 O ATOM 822 CB ARG A 777 3.991 10.031 12.315 1.00 1.00 C ATOM 823 CG ARG A 777 5.352 10.735 12.261 1.00 1.00 C ATOM 824 CD ARG A 777 6.289 9.886 11.387 1.00 1.00 C ATOM 825 NE ARG A 777 7.463 10.641 10.936 1.00 1.00 N ATOM 826 CZ ARG A 777 7.606 11.246 9.752 1.00 1.00 C ATOM 827 NH1 ARG A 777 6.638 11.213 8.841 1.00 1.00 N ATOM 828 NH2 ARG A 777 8.734 11.884 9.485 1.00 1.00 N ATOM 0 H ARG A 777 1.894 11.686 12.652 1.00 1.00 H new ATOM 0 HA ARG A 777 3.684 10.912 10.435 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.567 10.109 13.316 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.108 8.969 12.100 1.00 1.00 H new ATOM 0 HG2 ARG A 777 5.247 11.737 11.846 1.00 1.00 H new ATOM 0 HG3 ARG A 777 5.764 10.847 13.264 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.616 9.012 11.951 1.00 1.00 H new ATOM 0 HD3 ARG A 777 5.740 9.519 10.520 1.00 1.00 H new ATOM 0 HE ARG A 777 8.245 10.711 11.587 1.00 1.00 H new ATOM 0 HH11 ARG A 777 5.767 10.720 9.040 1.00 1.00 H new ATOM 0 HH12 ARG A 777 6.766 11.681 7.944 1.00 1.00 H new ATOM 0 HH21 ARG A 777 9.482 11.910 10.178 1.00 1.00 H new ATOM 0 HH22 ARG A 777 8.856 12.350 8.586 1.00 1.00 H new ATOM 842 N ARG A 778 1.044 10.318 9.967 1.00 1.00 N ATOM 843 CA ARG A 778 0.030 9.512 9.306 1.00 1.00 C ATOM 844 C ARG A 778 0.747 8.736 8.210 1.00 1.00 C ATOM 845 O ARG A 778 1.770 9.195 7.697 1.00 1.00 O ATOM 846 CB ARG A 778 -1.059 10.438 8.745 1.00 1.00 C ATOM 847 CG ARG A 778 -2.220 9.739 8.013 1.00 1.00 C ATOM 848 CD ARG A 778 -1.995 9.575 6.498 1.00 1.00 C ATOM 849 NE ARG A 778 -3.275 9.583 5.778 1.00 1.00 N ATOM 850 CZ ARG A 778 -4.121 8.566 5.580 1.00 1.00 C ATOM 851 NH1 ARG A 778 -3.781 7.312 5.858 1.00 1.00 N ATOM 852 NH2 ARG A 778 -5.330 8.824 5.106 1.00 1.00 N ATOM 0 H ARG A 778 0.984 11.317 9.771 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.464 8.816 9.984 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.472 11.022 9.567 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -0.592 11.142 8.057 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.376 8.755 8.456 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -3.134 10.310 8.175 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -1.361 10.381 6.130 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -1.468 8.641 6.303 1.00 1.00 H new ATOM 0 HE ARG A 778 -3.555 10.479 5.378 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -2.855 7.106 6.232 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -4.446 6.556 5.697 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -5.602 9.785 4.899 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -5.989 8.062 4.948 1.00 1.00 H new ATOM 866 N PHE A 779 0.260 7.558 7.857 1.00 1.00 N ATOM 867 CA PHE A 779 0.765 6.763 6.754 1.00 1.00 C ATOM 868 C PHE A 779 -0.351 5.827 6.282 1.00 1.00 C ATOM 869 O PHE A 779 -1.474 5.834 6.805 1.00 1.00 O ATOM 870 CB PHE A 779 2.100 6.067 7.104 1.00 1.00 C ATOM 871 CG PHE A 779 2.136 5.112 8.278 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.161 5.617 9.586 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.262 3.725 8.072 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.287 4.754 10.683 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.375 2.859 9.174 1.00 1.00 C ATOM 876 CZ PHE A 779 2.402 3.370 10.481 1.00 1.00 C ATOM 0 H PHE A 779 -0.520 7.117 8.345 1.00 1.00 H new ATOM 0 HA PHE A 779 1.030 7.401 5.911 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.428 5.518 6.221 1.00 1.00 H new ATOM 0 HB3 PHE A 779 2.840 6.846 7.288 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.082 6.682 9.750 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.272 3.326 7.068 1.00 1.00 H new ATOM 0 HE1 PHE A 779 2.296 5.155 11.686 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.441 1.793 9.014 1.00 1.00 H new ATOM 0 HZ PHE A 779 2.510 2.704 11.324 1.00 1.00 H new ATOM 886 N ILE A 780 -0.046 5.084 5.230 1.00 1.00 N ATOM 887 CA ILE A 780 -0.804 4.025 4.585 1.00 1.00 C ATOM 888 C ILE A 780 -0.016 2.748 4.805 1.00 1.00 C ATOM 889 O ILE A 780 1.209 2.739 4.895 1.00 1.00 O ATOM 890 CB ILE A 780 -1.198 4.393 3.130 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.741 3.236 2.249 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.223 5.294 2.378 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.199 2.892 2.496 1.00 1.00 C ATOM 0 H ILE A 780 0.844 5.227 4.752 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.790 3.870 5.022 1.00 1.00 H new ATOM 0 HB ILE A 780 -2.067 5.020 3.326 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.616 3.505 1.200 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.136 2.347 2.424 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.603 5.483 1.374 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.117 6.240 2.910 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.748 4.804 2.312 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.496 2.074 1.839 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.330 2.589 3.535 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.819 3.765 2.291 1.00 1.00 H new ATOM 905 N THR A 781 -0.724 1.657 4.988 1.00 1.00 N ATOM 906 CA THR A 781 -0.167 0.372 5.311 1.00 1.00 C ATOM 907 C THR A 781 -0.908 -0.628 4.462 1.00 1.00 C ATOM 908 O THR A 781 -2.108 -0.487 4.223 1.00 1.00 O ATOM 909 CB THR A 781 -0.400 0.117 6.805 1.00 1.00 C ATOM 910 OG1 THR A 781 0.278 1.107 7.557 1.00 1.00 O ATOM 911 CG2 THR A 781 0.068 -1.269 7.248 1.00 1.00 C ATOM 0 H THR A 781 -1.741 1.644 4.912 1.00 1.00 H new ATOM 0 HA THR A 781 0.904 0.306 5.118 1.00 1.00 H new ATOM 0 HB THR A 781 -1.475 0.164 6.981 1.00 1.00 H new ATOM 0 HG1 THR A 781 -0.271 1.366 8.327 1.00 1.00 H new ATOM 0 HG21 THR A 781 -0.122 -1.394 8.314 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.476 -2.032 6.691 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.136 -1.371 7.055 1.00 1.00 H new ATOM 919 N VAL A 782 -0.188 -1.630 3.992 1.00 1.00 N ATOM 920 CA VAL A 782 -0.777 -2.726 3.267 1.00 1.00 C ATOM 921 C VAL A 782 -0.113 -3.977 3.818 1.00 1.00 C ATOM 922 O VAL A 782 1.094 -3.983 4.057 1.00 1.00 O ATOM 923 CB VAL A 782 -0.633 -2.560 1.748 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.654 -1.575 1.186 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.719 -2.019 1.305 1.00 1.00 C ATOM 0 H VAL A 782 0.823 -1.701 4.106 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.856 -2.779 3.409 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.775 -3.574 1.373 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.518 -1.486 0.108 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.661 -1.935 1.397 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.513 -0.599 1.651 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.738 -1.932 0.219 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.882 -1.038 1.751 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.507 -2.699 1.628 1.00 1.00 H new ATOM 935 N SER A 783 -0.892 -5.028 4.037 1.00 1.00 N ATOM 936 CA SER A 783 -0.423 -6.257 4.660 1.00 1.00 C ATOM 937 C SER A 783 -0.713 -7.415 3.721 1.00 1.00 C ATOM 938 O SER A 783 -1.806 -7.486 3.169 1.00 1.00 O ATOM 939 CB SER A 783 -1.120 -6.494 5.999 1.00 1.00 C ATOM 940 OG SER A 783 -1.317 -5.300 6.745 1.00 1.00 O ATOM 0 H SER A 783 -1.880 -5.050 3.783 1.00 1.00 H new ATOM 0 HA SER A 783 0.648 -6.176 4.848 1.00 1.00 H new ATOM 0 HB2 SER A 783 -2.086 -6.967 5.820 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.528 -7.192 6.591 1.00 1.00 H new ATOM 0 HG SER A 783 -1.767 -5.512 7.589 1.00 1.00 H new ATOM 946 N LYS A 784 0.249 -8.310 3.538 1.00 1.00 N ATOM 947 CA LYS A 784 0.146 -9.519 2.731 1.00 1.00 C ATOM 948 C LYS A 784 -0.467 -10.663 3.482 1.00 1.00 C ATOM 949 O LYS A 784 0.051 -11.045 4.535 1.00 1.00 O ATOM 950 CB LYS A 784 1.512 -9.996 2.211 1.00 1.00 C ATOM 951 CG LYS A 784 1.983 -9.262 0.958 1.00 1.00 C ATOM 952 CD LYS A 784 1.661 -9.995 -0.365 1.00 1.00 C ATOM 953 CE LYS A 784 0.329 -10.770 -0.483 1.00 1.00 C ATOM 954 NZ LYS A 784 0.468 -12.229 -0.288 1.00 1.00 N ATOM 0 H LYS A 784 1.167 -8.207 3.970 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.495 -9.235 1.896 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.255 -9.867 2.998 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.457 -11.063 1.997 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.522 -8.274 0.934 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.060 -9.110 1.023 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.685 -9.256 -1.166 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.470 -10.699 -0.557 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.374 -10.380 0.253 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.103 -10.584 -1.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.347 -12.714 -1.200 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.412 -12.440 0.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 -0.257 -12.561 0.380 1.00 1.00 H new ATOM 967 N ARG A 785 -1.564 -11.191 2.947 1.00 1.00 N ATOM 968 CA ARG A 785 -2.156 -12.384 3.519 1.00 1.00 C ATOM 969 C ARG A 785 -1.240 -13.475 2.984 1.00 1.00 C ATOM 970 O ARG A 785 -1.111 -13.604 1.761 1.00 1.00 O ATOM 971 CB ARG A 785 -3.600 -12.534 3.035 1.00 1.00 C ATOM 972 CG ARG A 785 -4.459 -11.452 3.703 1.00 1.00 C ATOM 973 CD ARG A 785 -5.873 -11.404 3.143 1.00 1.00 C ATOM 974 NE ARG A 785 -6.631 -12.622 3.444 1.00 1.00 N ATOM 975 CZ ARG A 785 -7.931 -12.788 3.187 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.671 -11.773 2.746 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.494 -13.970 3.394 1.00 1.00 N ATOM 0 H ARG A 785 -2.050 -10.816 2.133 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.224 -12.392 4.607 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.647 -12.437 1.950 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -3.980 -13.525 3.283 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.503 -11.638 4.776 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -3.984 -10.480 3.567 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.396 -10.542 3.556 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -5.829 -11.263 2.063 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.131 -13.397 3.880 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -8.246 -10.857 2.601 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -9.663 -11.911 2.553 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -7.935 -14.746 3.748 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.486 -14.103 3.200 1.00 1.00 H new ATOM 991 N ALA A 786 -0.497 -14.139 3.864 1.00 1.00 N ATOM 992 CA ALA A 786 0.462 -15.150 3.440 1.00 1.00 C ATOM 993 C ALA A 786 -0.271 -16.421 3.033 1.00 1.00 C ATOM 994 O ALA A 786 -1.503 -16.495 3.222 1.00 1.00 O ATOM 995 CB ALA A 786 1.475 -15.423 4.553 1.00 1.00 C ATOM 0 H ALA A 786 -0.541 -13.995 4.873 1.00 1.00 H new ATOM 0 HA ALA A 786 1.012 -14.782 2.574 1.00 1.00 H new ATOM 0 HB1 ALA A 786 2.185 -16.181 4.221 1.00 1.00 H new ATOM 0 HB2 ALA A 786 2.010 -14.504 4.791 1.00 1.00 H new ATOM 0 HB3 ALA A 786 0.953 -15.779 5.441 1.00 1.00 H new TER 1001 ALA A 786