USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 485 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 151:sc= 0.776 USER MOD Set 1.2: A 781 THR OG1 : rot -5:sc= 0.888 USER MOD Set 2.1: A 737 MET CE :methyl -159:sc= -0.0422 (180deg=-0.392) USER MOD Set 2.2: A 765 HIS : no HE2:sc= -0.303 X(o=-0.34,f=-0.39) USER MOD Single : A 728 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.078) USER MOD Single : A 732 MET CE :methyl 178:sc= 0 (180deg=-0.00706) USER MOD Single : A 739 SER OG : rot 130:sc=-0.00766 USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 165:sc= -0.445 (180deg=-0.775) USER MOD Single : A 743 GLN : amide:sc= 0.944 K(o=0.94,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= 0.12 USER MOD Single : A 751 ASN : amide:sc= -0.0165 X(o=-0.016,f=-0.08) USER MOD Single : A 752 SER OG : rot 6:sc= 0.309 USER MOD Single : A 753 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 759 HIS :FLIP no HD1:sc= -0.466 F(o=-1.1,f=-0.47) USER MOD Single : A 760 GLN : amide:sc= 0.726 K(o=0.73,f=-4.8!) USER MOD Single : A 769 HIS : no HE2:sc= -0.296 K(o=-0.3,f=-1) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 776 LYS NZ :NH3+ -129:sc=-0.00888 (180deg=-0.816) USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ -117:sc= -0.358 (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 727 2.710 3.924 -11.503 1.00 1.00 N ATOM 25 CA ASP A 727 2.956 2.494 -11.658 1.00 1.00 C ATOM 26 C ASP A 727 4.081 2.021 -10.738 1.00 1.00 C ATOM 27 O ASP A 727 4.068 0.862 -10.337 1.00 1.00 O ATOM 28 CB ASP A 727 3.296 2.184 -13.118 1.00 1.00 C ATOM 29 CG ASP A 727 3.707 0.722 -13.306 1.00 1.00 C ATOM 30 OD1 ASP A 727 2.818 -0.158 -13.216 1.00 1.00 O ATOM 31 OD2 ASP A 727 4.910 0.485 -13.565 1.00 1.00 O ATOM 0 HA ASP A 727 2.050 1.957 -11.376 1.00 1.00 H new ATOM 0 HB2 ASP A 727 2.433 2.403 -13.747 1.00 1.00 H new ATOM 0 HB3 ASP A 727 4.105 2.835 -13.449 1.00 1.00 H new ATOM 36 N HIS A 728 4.988 2.911 -10.306 1.00 1.00 N ATOM 37 CA HIS A 728 6.081 2.560 -9.392 1.00 1.00 C ATOM 38 C HIS A 728 5.547 1.848 -8.153 1.00 1.00 C ATOM 39 O HIS A 728 6.058 0.803 -7.754 1.00 1.00 O ATOM 40 CB HIS A 728 6.856 3.801 -8.930 1.00 1.00 C ATOM 41 CG HIS A 728 7.279 4.756 -10.008 1.00 1.00 C ATOM 42 ND1 HIS A 728 7.381 6.119 -9.856 1.00 1.00 N ATOM 43 CD2 HIS A 728 7.627 4.445 -11.292 1.00 1.00 C ATOM 44 CE1 HIS A 728 7.793 6.630 -11.027 1.00 1.00 C ATOM 45 NE2 HIS A 728 7.955 5.645 -11.934 1.00 1.00 N ATOM 0 H HIS A 728 4.983 3.893 -10.582 1.00 1.00 H new ATOM 0 HA HIS A 728 6.749 1.902 -9.947 1.00 1.00 H new ATOM 0 HB2 HIS A 728 6.239 4.344 -8.214 1.00 1.00 H new ATOM 0 HB3 HIS A 728 7.747 3.470 -8.396 1.00 1.00 H new ATOM 0 HD2 HIS A 728 7.646 3.458 -11.730 1.00 1.00 H new ATOM 0 HE1 HIS A 728 7.969 7.679 -11.216 1.00 1.00 H new ATOM 0 HE2 HIS A 728 8.258 5.754 -12.902 1.00 1.00 H new ATOM 53 N PHE A 729 4.483 2.404 -7.560 1.00 1.00 N ATOM 54 CA PHE A 729 3.846 1.795 -6.411 1.00 1.00 C ATOM 55 C PHE A 729 3.347 0.411 -6.768 1.00 1.00 C ATOM 56 O PHE A 729 3.568 -0.503 -5.988 1.00 1.00 O ATOM 57 CB PHE A 729 2.662 2.623 -5.904 1.00 1.00 C ATOM 58 CG PHE A 729 2.935 4.093 -5.706 1.00 1.00 C ATOM 59 CD1 PHE A 729 3.977 4.519 -4.859 1.00 1.00 C ATOM 60 CD2 PHE A 729 2.125 5.041 -6.357 1.00 1.00 C ATOM 61 CE1 PHE A 729 4.161 5.891 -4.622 1.00 1.00 C ATOM 62 CE2 PHE A 729 2.344 6.408 -6.146 1.00 1.00 C ATOM 63 CZ PHE A 729 3.337 6.833 -5.255 1.00 1.00 C ATOM 0 H PHE A 729 4.053 3.277 -7.866 1.00 1.00 H new ATOM 0 HA PHE A 729 4.596 1.742 -5.622 1.00 1.00 H new ATOM 0 HB2 PHE A 729 1.838 2.516 -6.609 1.00 1.00 H new ATOM 0 HB3 PHE A 729 2.327 2.203 -4.956 1.00 1.00 H new ATOM 0 HD1 PHE A 729 4.630 3.795 -4.395 1.00 1.00 H new ATOM 0 HD2 PHE A 729 1.336 4.715 -7.018 1.00 1.00 H new ATOM 0 HE1 PHE A 729 4.939 6.222 -3.950 1.00 1.00 H new ATOM 0 HE2 PHE A 729 1.745 7.137 -6.672 1.00 1.00 H new ATOM 0 HZ PHE A 729 3.468 7.886 -5.055 1.00 1.00 H new ATOM 73 N ARG A 730 2.688 0.239 -7.920 1.00 1.00 N ATOM 74 CA ARG A 730 2.187 -1.065 -8.314 1.00 1.00 C ATOM 75 C ARG A 730 3.337 -2.049 -8.388 1.00 1.00 C ATOM 76 O ARG A 730 3.195 -3.112 -7.806 1.00 1.00 O ATOM 77 CB ARG A 730 1.385 -1.018 -9.625 1.00 1.00 C ATOM 78 CG ARG A 730 0.710 -2.381 -9.841 1.00 1.00 C ATOM 79 CD ARG A 730 -0.314 -2.351 -10.975 1.00 1.00 C ATOM 80 NE ARG A 730 -0.992 -3.649 -11.094 1.00 1.00 N ATOM 81 CZ ARG A 730 -0.501 -4.758 -11.653 1.00 1.00 C ATOM 82 NH1 ARG A 730 0.719 -4.785 -12.180 1.00 1.00 N ATOM 83 NH2 ARG A 730 -1.254 -5.846 -11.678 1.00 1.00 N ATOM 0 H ARG A 730 2.495 0.987 -8.586 1.00 1.00 H new ATOM 0 HA ARG A 730 1.483 -1.403 -7.553 1.00 1.00 H new ATOM 0 HB2 ARG A 730 0.635 -0.228 -9.581 1.00 1.00 H new ATOM 0 HB3 ARG A 730 2.043 -0.786 -10.462 1.00 1.00 H new ATOM 0 HG2 ARG A 730 1.471 -3.129 -10.062 1.00 1.00 H new ATOM 0 HG3 ARG A 730 0.218 -2.690 -8.919 1.00 1.00 H new ATOM 0 HD2 ARG A 730 -1.048 -1.567 -10.789 1.00 1.00 H new ATOM 0 HD3 ARG A 730 0.182 -2.106 -11.914 1.00 1.00 H new ATOM 0 HE ARG A 730 -1.935 -3.709 -10.710 1.00 1.00 H new ATOM 0 HH11 ARG A 730 1.301 -3.947 -12.163 1.00 1.00 H new ATOM 0 HH12 ARG A 730 1.073 -5.643 -12.602 1.00 1.00 H new ATOM 0 HH21 ARG A 730 -2.191 -5.827 -11.275 1.00 1.00 H new ATOM 0 HH22 ARG A 730 -0.898 -6.703 -12.100 1.00 1.00 H new ATOM 97 N ALA A 731 4.457 -1.710 -9.024 1.00 1.00 N ATOM 98 CA ALA A 731 5.599 -2.609 -9.051 1.00 1.00 C ATOM 99 C ALA A 731 6.093 -2.926 -7.643 1.00 1.00 C ATOM 100 O ALA A 731 6.384 -4.085 -7.372 1.00 1.00 O ATOM 101 CB ALA A 731 6.710 -2.036 -9.926 1.00 1.00 C ATOM 0 H ALA A 731 4.594 -0.830 -9.521 1.00 1.00 H new ATOM 0 HA ALA A 731 5.279 -3.553 -9.493 1.00 1.00 H new ATOM 0 HB1 ALA A 731 7.557 -2.722 -9.935 1.00 1.00 H new ATOM 0 HB2 ALA A 731 6.340 -1.903 -10.943 1.00 1.00 H new ATOM 0 HB3 ALA A 731 7.028 -1.073 -9.527 1.00 1.00 H new ATOM 107 N MET A 732 6.139 -1.952 -6.728 1.00 1.00 N ATOM 108 CA MET A 732 6.501 -2.226 -5.343 1.00 1.00 C ATOM 109 C MET A 732 5.522 -3.216 -4.710 1.00 1.00 C ATOM 110 O MET A 732 5.957 -4.157 -4.050 1.00 1.00 O ATOM 111 CB MET A 732 6.541 -0.934 -4.526 1.00 1.00 C ATOM 112 CG MET A 732 7.744 -0.047 -4.849 1.00 1.00 C ATOM 113 SD MET A 732 7.685 1.586 -4.057 1.00 1.00 S ATOM 114 CE MET A 732 7.993 1.144 -2.325 1.00 1.00 C ATOM 0 H MET A 732 5.930 -0.973 -6.925 1.00 1.00 H new ATOM 0 HA MET A 732 7.496 -2.671 -5.341 1.00 1.00 H new ATOM 0 HB2 MET A 732 5.625 -0.371 -4.706 1.00 1.00 H new ATOM 0 HB3 MET A 732 6.558 -1.184 -3.465 1.00 1.00 H new ATOM 0 HG2 MET A 732 8.655 -0.559 -4.538 1.00 1.00 H new ATOM 0 HG3 MET A 732 7.806 0.086 -5.929 1.00 1.00 H new ATOM 0 HE1 MET A 732 8.022 2.049 -1.718 1.00 1.00 H new ATOM 0 HE2 MET A 732 7.195 0.493 -1.968 1.00 1.00 H new ATOM 0 HE3 MET A 732 8.948 0.624 -2.246 1.00 1.00 H new ATOM 124 N ILE A 733 4.212 -3.024 -4.891 1.00 1.00 N ATOM 125 CA ILE A 733 3.217 -3.939 -4.341 1.00 1.00 C ATOM 126 C ILE A 733 3.331 -5.316 -5.001 1.00 1.00 C ATOM 127 O ILE A 733 3.219 -6.322 -4.314 1.00 1.00 O ATOM 128 CB ILE A 733 1.760 -3.391 -4.378 1.00 1.00 C ATOM 129 CG1 ILE A 733 1.629 -1.887 -4.044 1.00 1.00 C ATOM 130 CG2 ILE A 733 0.924 -4.207 -3.383 1.00 1.00 C ATOM 131 CD1 ILE A 733 0.365 -1.374 -3.338 1.00 1.00 C ATOM 0 H ILE A 733 3.819 -2.242 -5.415 1.00 1.00 H new ATOM 0 HA ILE A 733 3.446 -4.041 -3.280 1.00 1.00 H new ATOM 0 HB ILE A 733 1.406 -3.494 -5.404 1.00 1.00 H new ATOM 0 HG12 ILE A 733 2.483 -1.615 -3.423 1.00 1.00 H new ATOM 0 HG13 ILE A 733 1.727 -1.336 -4.979 1.00 1.00 H new ATOM 0 HG21 ILE A 733 -0.104 -3.844 -3.388 1.00 1.00 H new ATOM 0 HG22 ILE A 733 0.939 -5.258 -3.671 1.00 1.00 H new ATOM 0 HG23 ILE A 733 1.342 -4.099 -2.382 1.00 1.00 H new ATOM 0 HD11 ILE A 733 0.446 -0.298 -3.184 1.00 1.00 H new ATOM 0 HD12 ILE A 733 -0.508 -1.588 -3.954 1.00 1.00 H new ATOM 0 HD13 ILE A 733 0.259 -1.872 -2.374 1.00 1.00 H new ATOM 143 N VAL A 734 3.551 -5.389 -6.307 1.00 1.00 N ATOM 144 CA VAL A 734 3.695 -6.629 -7.064 1.00 1.00 C ATOM 145 C VAL A 734 4.971 -7.376 -6.638 1.00 1.00 C ATOM 146 O VAL A 734 4.991 -8.611 -6.604 1.00 1.00 O ATOM 147 CB VAL A 734 3.589 -6.286 -8.563 1.00 1.00 C ATOM 148 CG1 VAL A 734 3.977 -7.428 -9.497 1.00 1.00 C ATOM 149 CG2 VAL A 734 2.137 -5.908 -8.914 1.00 1.00 C ATOM 0 H VAL A 734 3.637 -4.557 -6.891 1.00 1.00 H new ATOM 0 HA VAL A 734 2.895 -7.338 -6.850 1.00 1.00 H new ATOM 0 HB VAL A 734 4.290 -5.465 -8.713 1.00 1.00 H new ATOM 0 HG11 VAL A 734 3.874 -7.102 -10.532 1.00 1.00 H new ATOM 0 HG12 VAL A 734 5.011 -7.717 -9.309 1.00 1.00 H new ATOM 0 HG13 VAL A 734 3.324 -8.282 -9.319 1.00 1.00 H new ATOM 0 HG21 VAL A 734 2.070 -5.667 -9.975 1.00 1.00 H new ATOM 0 HG22 VAL A 734 1.478 -6.747 -8.690 1.00 1.00 H new ATOM 0 HG23 VAL A 734 1.834 -5.042 -8.325 1.00 1.00 H new ATOM 159 N GLU A 735 6.025 -6.652 -6.265 1.00 1.00 N ATOM 160 CA GLU A 735 7.251 -7.225 -5.736 1.00 1.00 C ATOM 161 C GLU A 735 6.970 -7.751 -4.325 1.00 1.00 C ATOM 162 O GLU A 735 7.295 -8.888 -3.997 1.00 1.00 O ATOM 163 CB GLU A 735 8.334 -6.140 -5.774 1.00 1.00 C ATOM 164 CG GLU A 735 9.714 -6.673 -5.402 1.00 1.00 C ATOM 165 CD GLU A 735 10.772 -5.599 -5.615 1.00 1.00 C ATOM 166 OE1 GLU A 735 10.913 -4.698 -4.755 1.00 1.00 O ATOM 167 OE2 GLU A 735 11.477 -5.626 -6.652 1.00 1.00 O ATOM 0 H GLU A 735 6.046 -5.634 -6.325 1.00 1.00 H new ATOM 0 HA GLU A 735 7.608 -8.068 -6.328 1.00 1.00 H new ATOM 0 HB2 GLU A 735 8.374 -5.707 -6.773 1.00 1.00 H new ATOM 0 HB3 GLU A 735 8.062 -5.337 -5.089 1.00 1.00 H new ATOM 0 HG2 GLU A 735 9.718 -6.995 -4.361 1.00 1.00 H new ATOM 0 HG3 GLU A 735 9.948 -7.549 -6.007 1.00 1.00 H new ATOM 174 N PHE A 736 6.283 -6.955 -3.503 1.00 1.00 N ATOM 175 CA PHE A 736 5.839 -7.332 -2.168 1.00 1.00 C ATOM 176 C PHE A 736 4.848 -8.506 -2.218 1.00 1.00 C ATOM 177 O PHE A 736 4.766 -9.262 -1.254 1.00 1.00 O ATOM 178 CB PHE A 736 5.269 -6.070 -1.516 1.00 1.00 C ATOM 179 CG PHE A 736 4.535 -6.209 -0.197 1.00 1.00 C ATOM 180 CD1 PHE A 736 5.174 -6.753 0.933 1.00 1.00 C ATOM 181 CD2 PHE A 736 3.221 -5.711 -0.088 1.00 1.00 C ATOM 182 CE1 PHE A 736 4.484 -6.829 2.157 1.00 1.00 C ATOM 183 CE2 PHE A 736 2.539 -5.773 1.136 1.00 1.00 C ATOM 184 CZ PHE A 736 3.163 -6.358 2.249 1.00 1.00 C ATOM 0 H PHE A 736 6.015 -6.005 -3.759 1.00 1.00 H new ATOM 0 HA PHE A 736 6.665 -7.703 -1.561 1.00 1.00 H new ATOM 0 HB2 PHE A 736 6.093 -5.373 -1.365 1.00 1.00 H new ATOM 0 HB3 PHE A 736 4.586 -5.607 -2.229 1.00 1.00 H new ATOM 0 HD1 PHE A 736 6.190 -7.111 0.861 1.00 1.00 H new ATOM 0 HD2 PHE A 736 2.737 -5.279 -0.951 1.00 1.00 H new ATOM 0 HE1 PHE A 736 4.969 -7.249 3.026 1.00 1.00 H new ATOM 0 HE2 PHE A 736 1.539 -5.373 1.222 1.00 1.00 H new ATOM 0 HZ PHE A 736 2.625 -6.447 3.181 1.00 1.00 H new ATOM 194 N MET A 737 4.123 -8.696 -3.321 1.00 1.00 N ATOM 195 CA MET A 737 3.226 -9.819 -3.567 1.00 1.00 C ATOM 196 C MET A 737 4.044 -11.074 -3.815 1.00 1.00 C ATOM 197 O MET A 737 3.808 -12.080 -3.146 1.00 1.00 O ATOM 198 CB MET A 737 2.296 -9.531 -4.750 1.00 1.00 C ATOM 199 CG MET A 737 1.104 -8.661 -4.347 1.00 1.00 C ATOM 200 SD MET A 737 -0.309 -9.620 -3.748 1.00 1.00 S ATOM 201 CE MET A 737 -0.859 -10.318 -5.336 1.00 1.00 C ATOM 0 H MET A 737 4.148 -8.039 -4.101 1.00 1.00 H new ATOM 0 HA MET A 737 2.599 -9.970 -2.688 1.00 1.00 H new ATOM 0 HB2 MET A 737 2.858 -9.032 -5.539 1.00 1.00 H new ATOM 0 HB3 MET A 737 1.934 -10.472 -5.163 1.00 1.00 H new ATOM 0 HG2 MET A 737 1.418 -7.964 -3.570 1.00 1.00 H new ATOM 0 HG3 MET A 737 0.792 -8.064 -5.204 1.00 1.00 H new ATOM 0 HE1 MET A 737 -1.902 -10.625 -5.257 1.00 1.00 H new ATOM 0 HE2 MET A 737 -0.760 -9.565 -6.118 1.00 1.00 H new ATOM 0 HE3 MET A 737 -0.244 -11.183 -5.586 1.00 1.00 H new ATOM 211 N ALA A 738 5.014 -11.013 -4.730 1.00 1.00 N ATOM 212 CA ALA A 738 5.911 -12.125 -5.005 1.00 1.00 C ATOM 213 C ALA A 738 6.654 -12.535 -3.729 1.00 1.00 C ATOM 214 O ALA A 738 6.713 -13.717 -3.386 1.00 1.00 O ATOM 215 CB ALA A 738 6.886 -11.695 -6.101 1.00 1.00 C ATOM 0 H ALA A 738 5.196 -10.187 -5.300 1.00 1.00 H new ATOM 0 HA ALA A 738 5.346 -12.993 -5.345 1.00 1.00 H new ATOM 0 HB1 ALA A 738 7.569 -12.515 -6.323 1.00 1.00 H new ATOM 0 HB2 ALA A 738 6.329 -11.433 -7.001 1.00 1.00 H new ATOM 0 HB3 ALA A 738 7.456 -10.830 -5.762 1.00 1.00 H new ATOM 221 N SER A 739 7.199 -11.551 -3.017 1.00 1.00 N ATOM 222 CA SER A 739 7.983 -11.716 -1.804 1.00 1.00 C ATOM 223 C SER A 739 7.127 -12.195 -0.625 1.00 1.00 C ATOM 224 O SER A 739 7.555 -13.088 0.110 1.00 1.00 O ATOM 225 CB SER A 739 8.654 -10.368 -1.528 1.00 1.00 C ATOM 226 OG SER A 739 9.481 -10.413 -0.392 1.00 1.00 O ATOM 0 H SER A 739 7.099 -10.572 -3.286 1.00 1.00 H new ATOM 0 HA SER A 739 8.735 -12.494 -1.935 1.00 1.00 H new ATOM 0 HB2 SER A 739 9.245 -10.073 -2.395 1.00 1.00 H new ATOM 0 HB3 SER A 739 7.889 -9.604 -1.389 1.00 1.00 H new ATOM 0 HG SER A 739 10.361 -10.042 -0.613 1.00 1.00 H new ATOM 232 N LYS A 740 5.921 -11.639 -0.457 1.00 1.00 N ATOM 233 CA LYS A 740 4.962 -11.850 0.635 1.00 1.00 C ATOM 234 C LYS A 740 5.609 -11.850 2.017 1.00 1.00 C ATOM 235 O LYS A 740 5.593 -12.863 2.716 1.00 1.00 O ATOM 236 CB LYS A 740 3.962 -12.985 0.335 1.00 1.00 C ATOM 237 CG LYS A 740 4.504 -14.422 0.372 1.00 1.00 C ATOM 238 CD LYS A 740 3.644 -15.391 -0.440 1.00 1.00 C ATOM 239 CE LYS A 740 3.897 -15.234 -1.946 1.00 1.00 C ATOM 240 NZ LYS A 740 3.084 -16.172 -2.744 1.00 1.00 N ATOM 0 H LYS A 740 5.560 -10.973 -1.140 1.00 1.00 H new ATOM 0 HA LYS A 740 4.324 -10.968 0.683 1.00 1.00 H new ATOM 0 HB2 LYS A 740 3.144 -12.913 1.052 1.00 1.00 H new ATOM 0 HB3 LYS A 740 3.537 -12.809 -0.653 1.00 1.00 H new ATOM 0 HG2 LYS A 740 5.523 -14.433 -0.015 1.00 1.00 H new ATOM 0 HG3 LYS A 740 4.552 -14.763 1.406 1.00 1.00 H new ATOM 0 HD2 LYS A 740 3.862 -16.415 -0.137 1.00 1.00 H new ATOM 0 HD3 LYS A 740 2.590 -15.213 -0.226 1.00 1.00 H new ATOM 0 HE2 LYS A 740 3.670 -14.211 -2.247 1.00 1.00 H new ATOM 0 HE3 LYS A 740 4.954 -15.401 -2.155 1.00 1.00 H new ATOM 0 HZ1 LYS A 740 3.285 -16.033 -3.755 1.00 1.00 H new ATOM 0 HZ2 LYS A 740 3.318 -17.149 -2.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 740 2.075 -15.996 -2.565 1.00 1.00 H new ATOM 253 N LYS A 741 6.234 -10.728 2.396 1.00 1.00 N ATOM 254 CA LYS A 741 6.955 -10.629 3.654 1.00 1.00 C ATOM 255 C LYS A 741 5.980 -10.611 4.835 1.00 1.00 C ATOM 256 O LYS A 741 5.665 -11.683 5.339 1.00 1.00 O ATOM 257 CB LYS A 741 7.827 -9.369 3.605 1.00 1.00 C ATOM 258 CG LYS A 741 8.851 -9.389 2.469 1.00 1.00 C ATOM 259 CD LYS A 741 9.956 -8.362 2.714 1.00 1.00 C ATOM 260 CE LYS A 741 10.943 -8.381 1.547 1.00 1.00 C ATOM 261 NZ LYS A 741 12.046 -7.426 1.756 1.00 1.00 N ATOM 0 H LYS A 741 6.250 -9.874 1.838 1.00 1.00 H new ATOM 0 HA LYS A 741 7.596 -11.499 3.798 1.00 1.00 H new ATOM 0 HB2 LYS A 741 7.185 -8.495 3.492 1.00 1.00 H new ATOM 0 HB3 LYS A 741 8.350 -9.260 4.555 1.00 1.00 H new ATOM 0 HG2 LYS A 741 9.286 -10.385 2.384 1.00 1.00 H new ATOM 0 HG3 LYS A 741 8.354 -9.176 1.522 1.00 1.00 H new ATOM 0 HD2 LYS A 741 9.524 -7.367 2.822 1.00 1.00 H new ATOM 0 HD3 LYS A 741 10.475 -8.587 3.646 1.00 1.00 H new ATOM 0 HE2 LYS A 741 11.348 -9.386 1.428 1.00 1.00 H new ATOM 0 HE3 LYS A 741 10.420 -8.137 0.623 1.00 1.00 H new ATOM 0 HZ1 LYS A 741 12.697 -7.465 0.946 1.00 1.00 H new ATOM 0 HZ2 LYS A 741 11.660 -6.464 1.845 1.00 1.00 H new ATOM 0 HZ3 LYS A 741 12.560 -7.674 2.625 1.00 1.00 H new ATOM 274 N MET A 742 5.385 -9.464 5.177 1.00 1.00 N ATOM 275 CA MET A 742 4.359 -9.308 6.210 1.00 1.00 C ATOM 276 C MET A 742 3.580 -8.020 5.942 1.00 1.00 C ATOM 277 O MET A 742 2.401 -8.091 5.603 1.00 1.00 O ATOM 278 CB MET A 742 4.976 -9.244 7.628 1.00 1.00 C ATOM 279 CG MET A 742 5.358 -10.573 8.293 1.00 1.00 C ATOM 280 SD MET A 742 3.977 -11.616 8.855 1.00 1.00 S ATOM 281 CE MET A 742 3.719 -12.737 7.453 1.00 1.00 C ATOM 0 H MET A 742 5.616 -8.581 4.721 1.00 1.00 H new ATOM 0 HA MET A 742 3.701 -10.176 6.170 1.00 1.00 H new ATOM 0 HB2 MET A 742 5.870 -8.623 7.578 1.00 1.00 H new ATOM 0 HB3 MET A 742 4.268 -8.732 8.280 1.00 1.00 H new ATOM 0 HG2 MET A 742 5.958 -11.149 7.588 1.00 1.00 H new ATOM 0 HG3 MET A 742 5.995 -10.356 9.151 1.00 1.00 H new ATOM 0 HE1 MET A 742 3.100 -13.577 7.768 1.00 1.00 H new ATOM 0 HE2 MET A 742 3.220 -12.201 6.646 1.00 1.00 H new ATOM 0 HE3 MET A 742 4.682 -13.108 7.102 1.00 1.00 H new ATOM 291 N GLN A 743 4.212 -6.847 6.049 1.00 1.00 N ATOM 292 CA GLN A 743 3.613 -5.545 5.761 1.00 1.00 C ATOM 293 C GLN A 743 4.615 -4.601 5.080 1.00 1.00 C ATOM 294 O GLN A 743 5.826 -4.752 5.239 1.00 1.00 O ATOM 295 CB GLN A 743 2.980 -4.922 7.019 1.00 1.00 C ATOM 296 CG GLN A 743 3.921 -4.784 8.229 1.00 1.00 C ATOM 297 CD GLN A 743 3.707 -3.452 8.951 1.00 1.00 C ATOM 298 OE1 GLN A 743 2.649 -3.172 9.516 1.00 1.00 O ATOM 299 NE2 GLN A 743 4.710 -2.596 8.926 1.00 1.00 N ATOM 0 H GLN A 743 5.185 -6.778 6.348 1.00 1.00 H new ATOM 0 HA GLN A 743 2.802 -5.705 5.050 1.00 1.00 H new ATOM 0 HB2 GLN A 743 2.598 -3.934 6.762 1.00 1.00 H new ATOM 0 HB3 GLN A 743 2.123 -5.528 7.313 1.00 1.00 H new ATOM 0 HG2 GLN A 743 3.749 -5.607 8.922 1.00 1.00 H new ATOM 0 HG3 GLN A 743 4.957 -4.858 7.897 1.00 1.00 H new ATOM 0 HE21 GLN A 743 5.580 -2.843 8.454 1.00 1.00 H new ATOM 0 HE22 GLN A 743 4.616 -1.687 9.379 1.00 1.00 H new ATOM 308 N LEU A 744 4.107 -3.620 4.338 1.00 1.00 N ATOM 309 CA LEU A 744 4.856 -2.582 3.639 1.00 1.00 C ATOM 310 C LEU A 744 4.185 -1.272 4.024 1.00 1.00 C ATOM 311 O LEU A 744 2.954 -1.175 3.983 1.00 1.00 O ATOM 312 CB LEU A 744 4.798 -2.843 2.120 1.00 1.00 C ATOM 313 CG LEU A 744 5.764 -2.038 1.224 1.00 1.00 C ATOM 314 CD1 LEU A 744 5.528 -2.449 -0.234 1.00 1.00 C ATOM 315 CD2 LEU A 744 5.644 -0.512 1.299 1.00 1.00 C ATOM 0 H LEU A 744 3.101 -3.524 4.201 1.00 1.00 H new ATOM 0 HA LEU A 744 5.912 -2.561 3.908 1.00 1.00 H new ATOM 0 HB2 LEU A 744 4.988 -3.903 1.953 1.00 1.00 H new ATOM 0 HB3 LEU A 744 3.781 -2.644 1.783 1.00 1.00 H new ATOM 0 HG LEU A 744 6.760 -2.277 1.597 1.00 1.00 H new ATOM 0 HD11 LEU A 744 6.202 -1.890 -0.883 1.00 1.00 H new ATOM 0 HD12 LEU A 744 5.718 -3.516 -0.346 1.00 1.00 H new ATOM 0 HD13 LEU A 744 4.496 -2.233 -0.510 1.00 1.00 H new ATOM 0 HD21 LEU A 744 6.372 -0.056 0.627 1.00 1.00 H new ATOM 0 HD22 LEU A 744 4.639 -0.211 1.003 1.00 1.00 H new ATOM 0 HD23 LEU A 744 5.836 -0.182 2.320 1.00 1.00 H new ATOM 327 N GLU A 745 4.972 -0.283 4.438 1.00 1.00 N ATOM 328 CA GLU A 745 4.499 1.011 4.844 1.00 1.00 C ATOM 329 C GLU A 745 4.826 2.017 3.736 1.00 1.00 C ATOM 330 O GLU A 745 5.993 2.323 3.460 1.00 1.00 O ATOM 331 CB GLU A 745 5.216 1.347 6.146 1.00 1.00 C ATOM 332 CG GLU A 745 4.647 0.515 7.305 1.00 1.00 C ATOM 333 CD GLU A 745 5.220 0.888 8.672 1.00 1.00 C ATOM 334 OE1 GLU A 745 5.903 1.930 8.813 1.00 1.00 O ATOM 335 OE2 GLU A 745 4.982 0.124 9.640 1.00 1.00 O ATOM 0 H GLU A 745 5.986 -0.376 4.497 1.00 1.00 H new ATOM 0 HA GLU A 745 3.421 1.036 5.005 1.00 1.00 H new ATOM 0 HB2 GLU A 745 6.283 1.152 6.041 1.00 1.00 H new ATOM 0 HB3 GLU A 745 5.106 2.409 6.365 1.00 1.00 H new ATOM 0 HG2 GLU A 745 3.564 0.637 7.330 1.00 1.00 H new ATOM 0 HG3 GLU A 745 4.845 -0.540 7.114 1.00 1.00 H new ATOM 342 N PHE A 746 3.777 2.534 3.108 1.00 1.00 N ATOM 343 CA PHE A 746 3.804 3.581 2.101 1.00 1.00 C ATOM 344 C PHE A 746 3.573 4.934 2.800 1.00 1.00 C ATOM 345 O PHE A 746 3.019 4.975 3.905 1.00 1.00 O ATOM 346 CB PHE A 746 2.733 3.277 1.038 1.00 1.00 C ATOM 347 CG PHE A 746 3.137 2.261 -0.016 1.00 1.00 C ATOM 348 CD1 PHE A 746 4.159 2.573 -0.934 1.00 1.00 C ATOM 349 CD2 PHE A 746 2.463 1.029 -0.125 1.00 1.00 C ATOM 350 CE1 PHE A 746 4.487 1.679 -1.965 1.00 1.00 C ATOM 351 CE2 PHE A 746 2.812 0.124 -1.142 1.00 1.00 C ATOM 352 CZ PHE A 746 3.819 0.450 -2.068 1.00 1.00 C ATOM 0 H PHE A 746 2.829 2.212 3.302 1.00 1.00 H new ATOM 0 HA PHE A 746 4.767 3.625 1.593 1.00 1.00 H new ATOM 0 HB2 PHE A 746 1.836 2.917 1.542 1.00 1.00 H new ATOM 0 HB3 PHE A 746 2.466 4.208 0.538 1.00 1.00 H new ATOM 0 HD1 PHE A 746 4.694 3.507 -0.844 1.00 1.00 H new ATOM 0 HD2 PHE A 746 1.678 0.780 0.573 1.00 1.00 H new ATOM 0 HE1 PHE A 746 5.254 1.938 -2.680 1.00 1.00 H new ATOM 0 HE2 PHE A 746 2.304 -0.827 -1.213 1.00 1.00 H new ATOM 0 HZ PHE A 746 4.077 -0.243 -2.855 1.00 1.00 H new ATOM 362 N PRO A 747 4.002 6.056 2.203 1.00 1.00 N ATOM 363 CA PRO A 747 3.917 7.372 2.832 1.00 1.00 C ATOM 364 C PRO A 747 2.496 7.951 2.799 1.00 1.00 C ATOM 365 O PRO A 747 1.651 7.461 2.059 1.00 1.00 O ATOM 366 CB PRO A 747 4.857 8.245 1.998 1.00 1.00 C ATOM 367 CG PRO A 747 4.801 7.620 0.609 1.00 1.00 C ATOM 368 CD PRO A 747 4.676 6.135 0.915 1.00 1.00 C ATOM 0 HA PRO A 747 4.185 7.322 3.887 1.00 1.00 H new ATOM 0 HB2 PRO A 747 4.528 9.284 1.982 1.00 1.00 H new ATOM 0 HB3 PRO A 747 5.870 8.237 2.399 1.00 1.00 H new ATOM 0 HG2 PRO A 747 3.951 7.988 0.034 1.00 1.00 H new ATOM 0 HG3 PRO A 747 5.698 7.840 0.030 1.00 1.00 H new ATOM 0 HD2 PRO A 747 4.104 5.622 0.141 1.00 1.00 H new ATOM 0 HD3 PRO A 747 5.656 5.659 0.956 1.00 1.00 H new ATOM 376 N PRO A 748 2.204 9.021 3.559 1.00 1.00 N ATOM 377 CA PRO A 748 0.910 9.695 3.488 1.00 1.00 C ATOM 378 C PRO A 748 0.851 10.647 2.285 1.00 1.00 C ATOM 379 O PRO A 748 -0.210 10.809 1.684 1.00 1.00 O ATOM 380 CB PRO A 748 0.834 10.530 4.764 1.00 1.00 C ATOM 381 CG PRO A 748 2.299 10.883 5.042 1.00 1.00 C ATOM 382 CD PRO A 748 3.046 9.630 4.579 1.00 1.00 C ATOM 0 HA PRO A 748 0.097 8.976 3.385 1.00 1.00 H new ATOM 0 HB2 PRO A 748 0.225 11.423 4.625 1.00 1.00 H new ATOM 0 HB3 PRO A 748 0.393 9.968 5.587 1.00 1.00 H new ATOM 0 HG2 PRO A 748 2.613 11.768 4.489 1.00 1.00 H new ATOM 0 HG3 PRO A 748 2.472 11.089 6.098 1.00 1.00 H new ATOM 0 HD2 PRO A 748 4.026 9.885 4.176 1.00 1.00 H new ATOM 0 HD3 PRO A 748 3.212 8.944 5.410 1.00 1.00 H new ATOM 390 N SER A 749 2.014 11.217 1.945 1.00 1.00 N ATOM 391 CA SER A 749 2.404 12.232 0.977 1.00 1.00 C ATOM 392 C SER A 749 1.730 12.228 -0.393 1.00 1.00 C ATOM 393 O SER A 749 1.848 13.212 -1.126 1.00 1.00 O ATOM 394 CB SER A 749 3.918 12.078 0.786 1.00 1.00 C ATOM 395 OG SER A 749 4.607 12.013 2.030 1.00 1.00 O ATOM 0 H SER A 749 2.850 10.910 2.443 1.00 1.00 H new ATOM 0 HA SER A 749 2.075 13.181 1.400 1.00 1.00 H new ATOM 0 HB2 SER A 749 4.121 11.175 0.211 1.00 1.00 H new ATOM 0 HB3 SER A 749 4.298 12.918 0.204 1.00 1.00 H new ATOM 0 HG SER A 749 5.568 11.913 1.867 1.00 1.00 H new ATOM 401 N LEU A 750 1.059 11.147 -0.760 1.00 1.00 N ATOM 402 CA LEU A 750 0.359 10.985 -2.019 1.00 1.00 C ATOM 403 C LEU A 750 -0.684 12.082 -2.155 1.00 1.00 C ATOM 404 O LEU A 750 -1.363 12.402 -1.179 1.00 1.00 O ATOM 405 CB LEU A 750 -0.273 9.598 -2.035 1.00 1.00 C ATOM 406 CG LEU A 750 0.740 8.439 -2.204 1.00 1.00 C ATOM 407 CD1 LEU A 750 2.072 8.794 -2.869 1.00 1.00 C ATOM 408 CD2 LEU A 750 1.062 7.811 -0.857 1.00 1.00 C ATOM 0 H LEU A 750 0.986 10.325 -0.161 1.00 1.00 H new ATOM 0 HA LEU A 750 1.040 11.069 -2.866 1.00 1.00 H new ATOM 0 HB2 LEU A 750 -0.823 9.451 -1.106 1.00 1.00 H new ATOM 0 HB3 LEU A 750 -0.999 9.552 -2.846 1.00 1.00 H new ATOM 0 HG LEU A 750 0.225 7.756 -2.879 1.00 1.00 H new ATOM 0 HD11 LEU A 750 2.696 7.903 -2.931 1.00 1.00 H new ATOM 0 HD12 LEU A 750 1.887 9.178 -3.872 1.00 1.00 H new ATOM 0 HD13 LEU A 750 2.583 9.554 -2.278 1.00 1.00 H new ATOM 0 HD21 LEU A 750 1.775 6.999 -0.996 1.00 1.00 H new ATOM 0 HD22 LEU A 750 1.494 8.564 -0.198 1.00 1.00 H new ATOM 0 HD23 LEU A 750 0.148 7.419 -0.410 1.00 1.00 H new ATOM 420 N ASN A 751 -0.814 12.638 -3.361 1.00 1.00 N ATOM 421 CA ASN A 751 -1.697 13.775 -3.610 1.00 1.00 C ATOM 422 C ASN A 751 -3.136 13.337 -3.378 1.00 1.00 C ATOM 423 O ASN A 751 -3.759 13.777 -2.412 1.00 1.00 O ATOM 424 CB ASN A 751 -1.456 14.424 -4.975 1.00 1.00 C ATOM 425 CG ASN A 751 0.020 14.686 -5.224 1.00 1.00 C ATOM 426 OD1 ASN A 751 0.697 13.854 -5.822 1.00 1.00 O ATOM 427 ND2 ASN A 751 0.556 15.781 -4.726 1.00 1.00 N ATOM 0 H ASN A 751 -0.312 12.314 -4.188 1.00 1.00 H new ATOM 0 HA ASN A 751 -1.469 14.573 -2.903 1.00 1.00 H new ATOM 0 HB2 ASN A 751 -1.847 13.776 -5.759 1.00 1.00 H new ATOM 0 HB3 ASN A 751 -2.006 15.363 -5.033 1.00 1.00 H new ATOM 0 HD21 ASN A 751 1.556 15.954 -4.833 1.00 1.00 H new ATOM 0 HD22 ASN A 751 -0.028 16.456 -4.233 1.00 1.00 H new ATOM 434 N SER A 752 -3.688 12.502 -4.257 1.00 1.00 N ATOM 435 CA SER A 752 -5.013 11.920 -4.074 1.00 1.00 C ATOM 436 C SER A 752 -5.049 10.513 -4.672 1.00 1.00 C ATOM 437 O SER A 752 -5.114 9.510 -3.955 1.00 1.00 O ATOM 438 CB SER A 752 -6.092 12.819 -4.696 1.00 1.00 C ATOM 439 OG SER A 752 -6.255 14.044 -4.005 1.00 1.00 O ATOM 0 H SER A 752 -3.226 12.210 -5.118 1.00 1.00 H new ATOM 0 HA SER A 752 -5.224 11.846 -3.007 1.00 1.00 H new ATOM 0 HB2 SER A 752 -5.832 13.025 -5.734 1.00 1.00 H new ATOM 0 HB3 SER A 752 -7.042 12.284 -4.706 1.00 1.00 H new ATOM 0 HG SER A 752 -5.569 14.121 -3.309 1.00 1.00 H new ATOM 445 N HIS A 753 -4.914 10.455 -6.000 1.00 1.00 N ATOM 446 CA HIS A 753 -5.029 9.243 -6.799 1.00 1.00 C ATOM 447 C HIS A 753 -4.025 8.180 -6.380 1.00 1.00 C ATOM 448 O HIS A 753 -4.319 6.996 -6.460 1.00 1.00 O ATOM 449 CB HIS A 753 -4.772 9.556 -8.284 1.00 1.00 C ATOM 450 CG HIS A 753 -5.756 10.453 -9.001 1.00 1.00 C ATOM 451 ND1 HIS A 753 -6.136 10.295 -10.313 1.00 1.00 N ATOM 452 CD2 HIS A 753 -6.334 11.609 -8.546 1.00 1.00 C ATOM 453 CE1 HIS A 753 -6.928 11.323 -10.647 1.00 1.00 C ATOM 454 NE2 HIS A 753 -7.062 12.162 -9.603 1.00 1.00 N ATOM 0 H HIS A 753 -4.715 11.282 -6.563 1.00 1.00 H new ATOM 0 HA HIS A 753 -6.040 8.867 -6.642 1.00 1.00 H new ATOM 0 HB2 HIS A 753 -3.785 10.012 -8.363 1.00 1.00 H new ATOM 0 HB3 HIS A 753 -4.730 8.609 -8.822 1.00 1.00 H new ATOM 0 HD2 HIS A 753 -6.243 12.019 -7.551 1.00 1.00 H new ATOM 0 HE1 HIS A 753 -7.391 11.459 -11.613 1.00 1.00 H new ATOM 0 HE2 HIS A 753 -7.592 13.033 -9.587 1.00 1.00 H new ATOM 462 N ASP A 754 -2.831 8.573 -5.953 1.00 1.00 N ATOM 463 CA ASP A 754 -1.745 7.670 -5.635 1.00 1.00 C ATOM 464 C ASP A 754 -2.036 6.802 -4.412 1.00 1.00 C ATOM 465 O ASP A 754 -1.864 5.585 -4.481 1.00 1.00 O ATOM 466 CB ASP A 754 -0.477 8.520 -5.524 1.00 1.00 C ATOM 467 CG ASP A 754 -0.026 9.090 -6.867 1.00 1.00 C ATOM 468 OD1 ASP A 754 -0.297 8.450 -7.905 1.00 1.00 O ATOM 469 OD2 ASP A 754 0.486 10.237 -6.858 1.00 1.00 O ATOM 0 H ASP A 754 -2.591 9.555 -5.817 1.00 1.00 H new ATOM 0 HA ASP A 754 -1.609 6.931 -6.425 1.00 1.00 H new ATOM 0 HB2 ASP A 754 -0.655 9.340 -4.828 1.00 1.00 H new ATOM 0 HB3 ASP A 754 0.326 7.914 -5.104 1.00 1.00 H new ATOM 474 N ARG A 755 -2.538 7.369 -3.306 1.00 1.00 N ATOM 475 CA ARG A 755 -2.909 6.534 -2.159 1.00 1.00 C ATOM 476 C ARG A 755 -4.118 5.678 -2.514 1.00 1.00 C ATOM 477 O ARG A 755 -4.160 4.511 -2.135 1.00 1.00 O ATOM 478 CB ARG A 755 -3.156 7.360 -0.887 1.00 1.00 C ATOM 479 CG ARG A 755 -3.579 6.416 0.249 1.00 1.00 C ATOM 480 CD ARG A 755 -3.540 7.046 1.646 1.00 1.00 C ATOM 481 NE ARG A 755 -4.644 7.991 1.818 1.00 1.00 N ATOM 482 CZ ARG A 755 -4.641 9.307 1.599 1.00 1.00 C ATOM 483 NH1 ARG A 755 -3.516 9.984 1.373 1.00 1.00 N ATOM 484 NH2 ARG A 755 -5.808 9.929 1.571 1.00 1.00 N ATOM 0 H ARG A 755 -2.692 8.370 -3.183 1.00 1.00 H new ATOM 0 HA ARG A 755 -2.067 5.880 -1.934 1.00 1.00 H new ATOM 0 HB2 ARG A 755 -2.252 7.902 -0.609 1.00 1.00 H new ATOM 0 HB3 ARG A 755 -3.932 8.104 -1.066 1.00 1.00 H new ATOM 0 HG2 ARG A 755 -4.591 6.061 0.052 1.00 1.00 H new ATOM 0 HG3 ARG A 755 -2.928 5.542 0.240 1.00 1.00 H new ATOM 0 HD2 ARG A 755 -3.601 6.265 2.404 1.00 1.00 H new ATOM 0 HD3 ARG A 755 -2.589 7.559 1.793 1.00 1.00 H new ATOM 0 HE ARG A 755 -5.525 7.594 2.146 1.00 1.00 H new ATOM 0 HH11 ARG A 755 -2.620 9.496 1.364 1.00 1.00 H new ATOM 0 HH12 ARG A 755 -3.550 10.990 1.209 1.00 1.00 H new ATOM 0 HH21 ARG A 755 -6.670 9.403 1.714 1.00 1.00 H new ATOM 0 HH22 ARG A 755 -5.846 10.935 1.406 1.00 1.00 H new ATOM 498 N LEU A 756 -5.100 6.238 -3.226 1.00 1.00 N ATOM 499 CA LEU A 756 -6.237 5.452 -3.690 1.00 1.00 C ATOM 500 C LEU A 756 -5.745 4.257 -4.512 1.00 1.00 C ATOM 501 O LEU A 756 -6.204 3.142 -4.293 1.00 1.00 O ATOM 502 CB LEU A 756 -7.213 6.342 -4.442 1.00 1.00 C ATOM 503 CG LEU A 756 -8.312 5.571 -5.203 1.00 1.00 C ATOM 504 CD1 LEU A 756 -9.250 4.851 -4.229 1.00 1.00 C ATOM 505 CD2 LEU A 756 -9.127 6.531 -6.066 1.00 1.00 C ATOM 0 H LEU A 756 -5.128 7.223 -3.490 1.00 1.00 H new ATOM 0 HA LEU A 756 -6.783 5.042 -2.841 1.00 1.00 H new ATOM 0 HB2 LEU A 756 -7.686 7.023 -3.735 1.00 1.00 H new ATOM 0 HB3 LEU A 756 -6.657 6.955 -5.151 1.00 1.00 H new ATOM 0 HG LEU A 756 -7.824 4.831 -5.837 1.00 1.00 H new ATOM 0 HD11 LEU A 756 -10.016 4.315 -4.790 1.00 1.00 H new ATOM 0 HD12 LEU A 756 -8.678 4.143 -3.629 1.00 1.00 H new ATOM 0 HD13 LEU A 756 -9.725 5.581 -3.574 1.00 1.00 H new ATOM 0 HD21 LEU A 756 -9.899 5.976 -6.598 1.00 1.00 H new ATOM 0 HD22 LEU A 756 -9.594 7.284 -5.431 1.00 1.00 H new ATOM 0 HD23 LEU A 756 -8.471 7.020 -6.786 1.00 1.00 H new ATOM 517 N ARG A 757 -4.774 4.458 -5.405 1.00 1.00 N ATOM 518 CA ARG A 757 -4.158 3.390 -6.179 1.00 1.00 C ATOM 519 C ARG A 757 -3.576 2.331 -5.247 1.00 1.00 C ATOM 520 O ARG A 757 -3.845 1.155 -5.460 1.00 1.00 O ATOM 521 CB ARG A 757 -3.108 3.972 -7.130 1.00 1.00 C ATOM 522 CG ARG A 757 -2.788 3.040 -8.300 1.00 1.00 C ATOM 523 CD ARG A 757 -3.726 3.290 -9.484 1.00 1.00 C ATOM 524 NE ARG A 757 -3.583 2.213 -10.473 1.00 1.00 N ATOM 525 CZ ARG A 757 -4.381 1.145 -10.592 1.00 1.00 C ATOM 526 NH1 ARG A 757 -5.506 1.049 -9.894 1.00 1.00 N ATOM 527 NH2 ARG A 757 -4.035 0.165 -11.419 1.00 1.00 N ATOM 0 H ARG A 757 -4.392 5.381 -5.610 1.00 1.00 H new ATOM 0 HA ARG A 757 -4.914 2.897 -6.791 1.00 1.00 H new ATOM 0 HB2 ARG A 757 -3.465 4.926 -7.518 1.00 1.00 H new ATOM 0 HB3 ARG A 757 -2.193 4.176 -6.573 1.00 1.00 H new ATOM 0 HG2 ARG A 757 -1.755 3.189 -8.614 1.00 1.00 H new ATOM 0 HG3 ARG A 757 -2.876 2.003 -7.976 1.00 1.00 H new ATOM 0 HD2 ARG A 757 -4.758 3.342 -9.137 1.00 1.00 H new ATOM 0 HD3 ARG A 757 -3.496 4.251 -9.944 1.00 1.00 H new ATOM 0 HE ARG A 757 -2.805 2.286 -11.129 1.00 1.00 H new ATOM 0 HH11 ARG A 757 -5.775 1.797 -9.254 1.00 1.00 H new ATOM 0 HH12 ARG A 757 -6.102 0.228 -9.998 1.00 1.00 H new ATOM 0 HH21 ARG A 757 -3.170 0.231 -11.955 1.00 1.00 H new ATOM 0 HH22 ARG A 757 -4.635 -0.654 -11.518 1.00 1.00 H new ATOM 541 N VAL A 758 -2.808 2.708 -4.220 1.00 1.00 N ATOM 542 CA VAL A 758 -2.278 1.742 -3.255 1.00 1.00 C ATOM 543 C VAL A 758 -3.420 0.905 -2.656 1.00 1.00 C ATOM 544 O VAL A 758 -3.308 -0.324 -2.651 1.00 1.00 O ATOM 545 CB VAL A 758 -1.414 2.456 -2.191 1.00 1.00 C ATOM 546 CG1 VAL A 758 -1.009 1.547 -1.019 1.00 1.00 C ATOM 547 CG2 VAL A 758 -0.127 3.008 -2.822 1.00 1.00 C ATOM 0 H VAL A 758 -2.540 3.675 -4.036 1.00 1.00 H new ATOM 0 HA VAL A 758 -1.616 1.042 -3.764 1.00 1.00 H new ATOM 0 HB VAL A 758 -2.041 3.258 -1.801 1.00 1.00 H new ATOM 0 HG11 VAL A 758 -0.404 2.114 -0.311 1.00 1.00 H new ATOM 0 HG12 VAL A 758 -1.904 1.178 -0.518 1.00 1.00 H new ATOM 0 HG13 VAL A 758 -0.431 0.703 -1.396 1.00 1.00 H new ATOM 0 HG21 VAL A 758 0.468 3.507 -2.057 1.00 1.00 H new ATOM 0 HG22 VAL A 758 0.448 2.188 -3.252 1.00 1.00 H new ATOM 0 HG23 VAL A 758 -0.383 3.721 -3.606 1.00 1.00 H new ATOM 557 N HIS A 759 -4.514 1.534 -2.199 1.00 1.00 N ATOM 558 CA HIS A 759 -5.686 0.816 -1.697 1.00 1.00 C ATOM 559 C HIS A 759 -6.217 -0.155 -2.752 1.00 1.00 C ATOM 560 O HIS A 759 -6.391 -1.325 -2.449 1.00 1.00 O ATOM 561 CB HIS A 759 -6.812 1.767 -1.253 1.00 1.00 C ATOM 562 CG HIS A 759 -6.548 2.509 0.034 1.00 1.00 C ATOM 563 ND1 HIS A 759 -6.299 3.848 0.149 1.00 1.00 N flip ATOM 564 CD2 HIS A 759 -6.570 1.980 1.307 1.00 1.00 C flip ATOM 565 CE1 HIS A 759 -6.125 4.136 1.507 1.00 1.00 C flip ATOM 566 NE2 HIS A 759 -6.279 2.973 2.165 1.00 1.00 N flip ATOM 0 H HIS A 759 -4.607 2.549 -2.169 1.00 1.00 H new ATOM 0 HA HIS A 759 -5.359 0.258 -0.820 1.00 1.00 H new ATOM 0 HB2 HIS A 759 -6.986 2.495 -2.045 1.00 1.00 H new ATOM 0 HB3 HIS A 759 -7.731 1.191 -1.141 1.00 1.00 H new ATOM 0 HD2 HIS A 759 -6.783 0.954 1.568 1.00 1.00 H new ATOM 0 HE1 HIS A 759 -5.910 5.101 1.941 1.00 1.00 H new ATOM 0 HE2 HIS A 759 -6.188 2.860 3.175 1.00 1.00 H new ATOM 574 N GLN A 760 -6.469 0.305 -3.975 1.00 1.00 N ATOM 575 CA GLN A 760 -7.064 -0.470 -5.057 1.00 1.00 C ATOM 576 C GLN A 760 -6.265 -1.728 -5.391 1.00 1.00 C ATOM 577 O GLN A 760 -6.836 -2.815 -5.485 1.00 1.00 O ATOM 578 CB GLN A 760 -7.133 0.427 -6.303 1.00 1.00 C ATOM 579 CG GLN A 760 -8.234 1.490 -6.272 1.00 1.00 C ATOM 580 CD GLN A 760 -8.108 2.469 -7.441 1.00 1.00 C ATOM 581 OE1 GLN A 760 -7.077 2.573 -8.111 1.00 1.00 O ATOM 582 NE2 GLN A 760 -9.163 3.208 -7.717 1.00 1.00 N ATOM 0 H GLN A 760 -6.256 1.264 -4.248 1.00 1.00 H new ATOM 0 HA GLN A 760 -8.054 -0.796 -4.736 1.00 1.00 H new ATOM 0 HB2 GLN A 760 -6.171 0.925 -6.428 1.00 1.00 H new ATOM 0 HB3 GLN A 760 -7.282 -0.204 -7.179 1.00 1.00 H new ATOM 0 HG2 GLN A 760 -9.209 1.005 -6.307 1.00 1.00 H new ATOM 0 HG3 GLN A 760 -8.184 2.038 -5.331 1.00 1.00 H new ATOM 0 HE21 GLN A 760 -10.011 3.115 -7.158 1.00 1.00 H new ATOM 0 HE22 GLN A 760 -9.132 3.873 -8.490 1.00 1.00 H new ATOM 591 N ILE A 761 -4.962 -1.595 -5.642 1.00 1.00 N ATOM 592 CA ILE A 761 -4.032 -2.682 -5.874 1.00 1.00 C ATOM 593 C ILE A 761 -4.146 -3.667 -4.709 1.00 1.00 C ATOM 594 O ILE A 761 -4.388 -4.857 -4.914 1.00 1.00 O ATOM 595 CB ILE A 761 -2.641 -2.030 -6.033 1.00 1.00 C ATOM 596 CG1 ILE A 761 -2.672 -1.085 -7.257 1.00 1.00 C ATOM 597 CG2 ILE A 761 -1.531 -3.082 -6.183 1.00 1.00 C ATOM 598 CD1 ILE A 761 -1.396 -0.264 -7.450 1.00 1.00 C ATOM 0 H ILE A 761 -4.513 -0.680 -5.690 1.00 1.00 H new ATOM 0 HA ILE A 761 -4.235 -3.263 -6.774 1.00 1.00 H new ATOM 0 HB ILE A 761 -2.413 -1.461 -5.131 1.00 1.00 H new ATOM 0 HG12 ILE A 761 -2.848 -1.678 -8.155 1.00 1.00 H new ATOM 0 HG13 ILE A 761 -3.517 -0.404 -7.154 1.00 1.00 H new ATOM 0 HG21 ILE A 761 -0.568 -2.582 -6.292 1.00 1.00 H new ATOM 0 HG22 ILE A 761 -1.511 -3.719 -5.298 1.00 1.00 H new ATOM 0 HG23 ILE A 761 -1.725 -3.692 -7.065 1.00 1.00 H new ATOM 0 HD11 ILE A 761 -1.502 0.371 -8.329 1.00 1.00 H new ATOM 0 HD12 ILE A 761 -1.227 0.358 -6.571 1.00 1.00 H new ATOM 0 HD13 ILE A 761 -0.549 -0.936 -7.587 1.00 1.00 H new ATOM 610 N ALA A 762 -4.013 -3.164 -3.482 1.00 1.00 N ATOM 611 CA ALA A 762 -4.099 -3.986 -2.293 1.00 1.00 C ATOM 612 C ALA A 762 -5.427 -4.746 -2.208 1.00 1.00 C ATOM 613 O ALA A 762 -5.421 -5.930 -1.868 1.00 1.00 O ATOM 614 CB ALA A 762 -3.816 -3.090 -1.081 1.00 1.00 C ATOM 0 H ALA A 762 -3.843 -2.176 -3.293 1.00 1.00 H new ATOM 0 HA ALA A 762 -3.349 -4.776 -2.323 1.00 1.00 H new ATOM 0 HB1 ALA A 762 -3.874 -3.683 -0.168 1.00 1.00 H new ATOM 0 HB2 ALA A 762 -2.819 -2.660 -1.171 1.00 1.00 H new ATOM 0 HB3 ALA A 762 -4.554 -2.289 -1.040 1.00 1.00 H new ATOM 620 N GLU A 763 -6.534 -4.087 -2.543 1.00 1.00 N ATOM 621 CA GLU A 763 -7.871 -4.636 -2.426 1.00 1.00 C ATOM 622 C GLU A 763 -8.114 -5.724 -3.468 1.00 1.00 C ATOM 623 O GLU A 763 -8.711 -6.754 -3.151 1.00 1.00 O ATOM 624 CB GLU A 763 -8.921 -3.512 -2.556 1.00 1.00 C ATOM 625 CG GLU A 763 -10.204 -3.899 -1.801 1.00 1.00 C ATOM 626 CD GLU A 763 -10.948 -2.699 -1.216 1.00 1.00 C ATOM 627 OE1 GLU A 763 -11.151 -1.681 -1.923 1.00 1.00 O ATOM 628 OE2 GLU A 763 -11.420 -2.786 -0.060 1.00 1.00 O ATOM 0 H GLU A 763 -6.520 -3.136 -2.911 1.00 1.00 H new ATOM 0 HA GLU A 763 -7.967 -5.093 -1.441 1.00 1.00 H new ATOM 0 HB2 GLU A 763 -8.520 -2.581 -2.155 1.00 1.00 H new ATOM 0 HB3 GLU A 763 -9.148 -3.335 -3.607 1.00 1.00 H new ATOM 0 HG2 GLU A 763 -10.869 -4.434 -2.479 1.00 1.00 H new ATOM 0 HG3 GLU A 763 -9.949 -4.587 -0.995 1.00 1.00 H new ATOM 635 N GLU A 764 -7.661 -5.517 -4.706 1.00 1.00 N ATOM 636 CA GLU A 764 -7.705 -6.465 -5.790 1.00 1.00 C ATOM 637 C GLU A 764 -6.939 -7.723 -5.395 1.00 1.00 C ATOM 638 O GLU A 764 -7.390 -8.835 -5.673 1.00 1.00 O ATOM 639 CB GLU A 764 -7.029 -5.771 -6.976 1.00 1.00 C ATOM 640 CG GLU A 764 -7.012 -6.639 -8.224 1.00 1.00 C ATOM 641 CD GLU A 764 -5.789 -6.391 -9.107 1.00 1.00 C ATOM 642 OE1 GLU A 764 -5.469 -5.214 -9.412 1.00 1.00 O ATOM 643 OE2 GLU A 764 -5.162 -7.376 -9.559 1.00 1.00 O ATOM 0 H GLU A 764 -7.233 -4.633 -4.980 1.00 1.00 H new ATOM 0 HA GLU A 764 -8.723 -6.764 -6.038 1.00 1.00 H new ATOM 0 HB2 GLU A 764 -7.550 -4.838 -7.193 1.00 1.00 H new ATOM 0 HB3 GLU A 764 -6.006 -5.509 -6.705 1.00 1.00 H new ATOM 0 HG2 GLU A 764 -7.035 -7.688 -7.930 1.00 1.00 H new ATOM 0 HG3 GLU A 764 -7.916 -6.451 -8.803 1.00 1.00 H new ATOM 650 N HIS A 765 -5.769 -7.541 -4.785 1.00 1.00 N ATOM 651 CA HIS A 765 -4.950 -8.599 -4.272 1.00 1.00 C ATOM 652 C HIS A 765 -5.577 -9.124 -2.970 1.00 1.00 C ATOM 653 O HIS A 765 -6.796 -9.208 -2.808 1.00 1.00 O ATOM 654 CB HIS A 765 -3.523 -8.075 -4.158 1.00 1.00 C ATOM 655 CG HIS A 765 -2.936 -7.632 -5.479 1.00 1.00 C ATOM 656 ND1 HIS A 765 -3.151 -8.147 -6.740 1.00 1.00 N ATOM 657 CD2 HIS A 765 -2.109 -6.563 -5.621 1.00 1.00 C ATOM 658 CE1 HIS A 765 -2.457 -7.393 -7.611 1.00 1.00 C ATOM 659 NE2 HIS A 765 -1.813 -6.400 -6.978 1.00 1.00 N ATOM 0 H HIS A 765 -5.366 -6.616 -4.637 1.00 1.00 H new ATOM 0 HA HIS A 765 -4.899 -9.465 -4.931 1.00 1.00 H new ATOM 0 HB2 HIS A 765 -3.507 -7.236 -3.463 1.00 1.00 H new ATOM 0 HB3 HIS A 765 -2.891 -8.854 -3.732 1.00 1.00 H new ATOM 0 HD1 HIS A 765 -3.731 -8.954 -6.970 1.00 1.00 H new ATOM 0 HD2 HIS A 765 -1.741 -5.942 -4.818 1.00 1.00 H new ATOM 0 HE1 HIS A 765 -2.423 -7.564 -8.677 1.00 1.00 H new ATOM 667 N GLY A 766 -4.729 -9.585 -2.065 1.00 1.00 N ATOM 668 CA GLY A 766 -5.041 -10.154 -0.780 1.00 1.00 C ATOM 669 C GLY A 766 -4.311 -9.387 0.303 1.00 1.00 C ATOM 670 O GLY A 766 -3.561 -9.988 1.089 1.00 1.00 O ATOM 0 H GLY A 766 -3.723 -9.565 -2.232 1.00 1.00 H new ATOM 0 HA2 GLY A 766 -6.116 -10.116 -0.605 1.00 1.00 H new ATOM 0 HA3 GLY A 766 -4.751 -11.204 -0.755 1.00 1.00 H new ATOM 674 N LEU A 767 -4.448 -8.052 0.283 1.00 1.00 N ATOM 675 CA LEU A 767 -3.722 -7.200 1.197 1.00 1.00 C ATOM 676 C LEU A 767 -4.656 -6.429 2.108 1.00 1.00 C ATOM 677 O LEU A 767 -5.552 -5.735 1.631 1.00 1.00 O ATOM 678 CB LEU A 767 -2.875 -6.170 0.450 1.00 1.00 C ATOM 679 CG LEU A 767 -1.901 -6.670 -0.609 1.00 1.00 C ATOM 680 CD1 LEU A 767 -0.964 -5.555 -1.050 1.00 1.00 C ATOM 681 CD2 LEU A 767 -1.010 -7.768 -0.079 1.00 1.00 C ATOM 0 H LEU A 767 -5.059 -7.552 -0.363 1.00 1.00 H new ATOM 0 HA LEU A 767 -3.088 -7.866 1.781 1.00 1.00 H new ATOM 0 HB2 LEU A 767 -3.554 -5.465 -0.029 1.00 1.00 H new ATOM 0 HB3 LEU A 767 -2.303 -5.610 1.190 1.00 1.00 H new ATOM 0 HG LEU A 767 -2.517 -7.033 -1.432 1.00 1.00 H new ATOM 0 HD11 LEU A 767 -0.277 -5.935 -1.806 1.00 1.00 H new ATOM 0 HD12 LEU A 767 -1.547 -4.734 -1.468 1.00 1.00 H new ATOM 0 HD13 LEU A 767 -0.396 -5.196 -0.192 1.00 1.00 H new ATOM 0 HD21 LEU A 767 -0.330 -8.097 -0.865 1.00 1.00 H new ATOM 0 HD22 LEU A 767 -0.433 -7.392 0.766 1.00 1.00 H new ATOM 0 HD23 LEU A 767 -1.623 -8.609 0.246 1.00 1.00 H new ATOM 693 N ARG A 768 -4.391 -6.454 3.414 1.00 1.00 N ATOM 694 CA ARG A 768 -5.164 -5.642 4.340 1.00 1.00 C ATOM 695 C ARG A 768 -4.503 -4.277 4.278 1.00 1.00 C ATOM 696 O ARG A 768 -3.364 -4.131 4.725 1.00 1.00 O ATOM 697 CB ARG A 768 -5.144 -6.234 5.758 1.00 1.00 C ATOM 698 CG ARG A 768 -5.870 -5.321 6.754 1.00 1.00 C ATOM 699 CD ARG A 768 -6.402 -6.077 7.979 1.00 1.00 C ATOM 700 NE ARG A 768 -7.580 -6.878 7.610 1.00 1.00 N ATOM 701 CZ ARG A 768 -8.632 -7.168 8.381 1.00 1.00 C ATOM 702 NH1 ARG A 768 -8.622 -6.952 9.692 1.00 1.00 N ATOM 703 NH2 ARG A 768 -9.710 -7.682 7.808 1.00 1.00 N ATOM 0 H ARG A 768 -3.659 -7.019 3.845 1.00 1.00 H new ATOM 0 HA ARG A 768 -6.220 -5.594 4.076 1.00 1.00 H new ATOM 0 HB2 ARG A 768 -5.616 -7.216 5.751 1.00 1.00 H new ATOM 0 HB3 ARG A 768 -4.113 -6.379 6.079 1.00 1.00 H new ATOM 0 HG2 ARG A 768 -5.188 -4.538 7.085 1.00 1.00 H new ATOM 0 HG3 ARG A 768 -6.701 -4.828 6.249 1.00 1.00 H new ATOM 0 HD2 ARG A 768 -5.624 -6.726 8.381 1.00 1.00 H new ATOM 0 HD3 ARG A 768 -6.666 -5.370 8.765 1.00 1.00 H new ATOM 0 HE ARG A 768 -7.595 -7.253 6.662 1.00 1.00 H new ATOM 0 HH11 ARG A 768 -7.795 -6.554 10.137 1.00 1.00 H new ATOM 0 HH12 ARG A 768 -9.441 -7.184 10.253 1.00 1.00 H new ATOM 0 HH21 ARG A 768 -9.723 -7.847 6.802 1.00 1.00 H new ATOM 0 HH22 ARG A 768 -10.527 -7.913 8.373 1.00 1.00 H new ATOM 717 N HIS A 769 -5.190 -3.324 3.668 1.00 1.00 N ATOM 718 CA HIS A 769 -4.771 -1.948 3.472 1.00 1.00 C ATOM 719 C HIS A 769 -5.412 -1.115 4.570 1.00 1.00 C ATOM 720 O HIS A 769 -6.597 -1.284 4.870 1.00 1.00 O ATOM 721 CB HIS A 769 -5.250 -1.459 2.088 1.00 1.00 C ATOM 722 CG HIS A 769 -6.631 -1.932 1.689 1.00 1.00 C ATOM 723 ND1 HIS A 769 -7.835 -1.436 2.132 1.00 1.00 N ATOM 724 CD2 HIS A 769 -6.906 -3.034 0.922 1.00 1.00 C ATOM 725 CE1 HIS A 769 -8.813 -2.215 1.645 1.00 1.00 C ATOM 726 NE2 HIS A 769 -8.290 -3.205 0.906 1.00 1.00 N ATOM 0 H HIS A 769 -6.113 -3.504 3.272 1.00 1.00 H new ATOM 0 HA HIS A 769 -3.685 -1.860 3.513 1.00 1.00 H new ATOM 0 HB2 HIS A 769 -5.239 -0.369 2.080 1.00 1.00 H new ATOM 0 HB3 HIS A 769 -4.536 -1.791 1.334 1.00 1.00 H new ATOM 0 HD1 HIS A 769 -7.962 -0.618 2.728 1.00 1.00 H new ATOM 0 HD2 HIS A 769 -6.181 -3.658 0.420 1.00 1.00 H new ATOM 0 HE1 HIS A 769 -9.868 -2.067 1.822 1.00 1.00 H new ATOM 734 N ASP A 770 -4.642 -0.210 5.160 1.00 1.00 N ATOM 735 CA ASP A 770 -5.109 0.648 6.249 1.00 1.00 C ATOM 736 C ASP A 770 -4.226 1.887 6.367 1.00 1.00 C ATOM 737 O ASP A 770 -3.112 1.897 5.846 1.00 1.00 O ATOM 738 CB ASP A 770 -5.004 -0.166 7.555 1.00 1.00 C ATOM 739 CG ASP A 770 -5.525 0.560 8.793 1.00 1.00 C ATOM 740 OD1 ASP A 770 -6.473 1.371 8.661 1.00 1.00 O ATOM 741 OD2 ASP A 770 -5.069 0.217 9.907 1.00 1.00 O ATOM 0 H ASP A 770 -3.670 -0.047 4.897 1.00 1.00 H new ATOM 0 HA ASP A 770 -6.133 0.969 6.059 1.00 1.00 H new ATOM 0 HB2 ASP A 770 -5.558 -1.097 7.434 1.00 1.00 H new ATOM 0 HB3 ASP A 770 -3.960 -0.435 7.719 1.00 1.00 H new ATOM 746 N SER A 771 -4.699 2.941 7.032 1.00 1.00 N ATOM 747 CA SER A 771 -3.870 4.105 7.298 1.00 1.00 C ATOM 748 C SER A 771 -3.287 3.837 8.684 1.00 1.00 C ATOM 749 O SER A 771 -3.759 2.996 9.448 1.00 1.00 O ATOM 750 CB SER A 771 -4.631 5.423 7.256 1.00 1.00 C ATOM 751 OG SER A 771 -5.105 5.694 5.948 1.00 1.00 O ATOM 0 H SER A 771 -5.650 3.008 7.394 1.00 1.00 H new ATOM 0 HA SER A 771 -3.109 4.227 6.527 1.00 1.00 H new ATOM 0 HB2 SER A 771 -5.470 5.385 7.950 1.00 1.00 H new ATOM 0 HB3 SER A 771 -3.981 6.233 7.586 1.00 1.00 H new ATOM 0 HG SER A 771 -5.592 6.544 5.946 1.00 1.00 H new ATOM 757 N SER A 772 -2.168 4.461 8.993 1.00 1.00 N ATOM 758 CA SER A 772 -1.445 4.208 10.230 1.00 1.00 C ATOM 759 C SER A 772 -0.771 5.478 10.724 1.00 1.00 C ATOM 760 O SER A 772 -0.692 6.451 9.977 1.00 1.00 O ATOM 761 CB SER A 772 -0.476 3.062 9.965 1.00 1.00 C ATOM 762 OG SER A 772 -1.192 1.893 9.580 1.00 1.00 O ATOM 0 H SER A 772 -1.730 5.161 8.393 1.00 1.00 H new ATOM 0 HA SER A 772 -2.116 3.911 11.036 1.00 1.00 H new ATOM 0 HB2 SER A 772 0.225 3.343 9.179 1.00 1.00 H new ATOM 0 HB3 SER A 772 0.112 2.859 10.860 1.00 1.00 H new ATOM 0 HG SER A 772 -0.632 1.346 8.990 1.00 1.00 H new ATOM 768 N GLY A 773 -0.309 5.470 11.971 1.00 1.00 N ATOM 769 CA GLY A 773 0.434 6.544 12.604 1.00 1.00 C ATOM 770 C GLY A 773 -0.311 7.039 13.827 1.00 1.00 C ATOM 771 O GLY A 773 -1.537 7.137 13.822 1.00 1.00 O ATOM 0 H GLY A 773 -0.452 4.675 12.593 1.00 1.00 H new ATOM 0 HA2 GLY A 773 1.425 6.192 12.890 1.00 1.00 H new ATOM 0 HA3 GLY A 773 0.577 7.363 11.899 1.00 1.00 H new ATOM 775 N GLU A 774 0.444 7.383 14.866 1.00 1.00 N ATOM 776 CA GLU A 774 -0.090 7.783 16.168 1.00 1.00 C ATOM 777 C GLU A 774 -0.905 9.085 16.111 1.00 1.00 C ATOM 778 O GLU A 774 -1.753 9.317 16.973 1.00 1.00 O ATOM 779 CB GLU A 774 1.078 7.887 17.159 1.00 1.00 C ATOM 780 CG GLU A 774 0.622 8.107 18.606 1.00 1.00 C ATOM 781 CD GLU A 774 1.808 8.129 19.566 1.00 1.00 C ATOM 782 OE1 GLU A 774 2.589 9.109 19.541 1.00 1.00 O ATOM 783 OE2 GLU A 774 1.992 7.167 20.347 1.00 1.00 O ATOM 0 H GLU A 774 1.463 7.392 14.828 1.00 1.00 H new ATOM 0 HA GLU A 774 -0.796 7.023 16.502 1.00 1.00 H new ATOM 0 HB2 GLU A 774 1.673 6.975 17.107 1.00 1.00 H new ATOM 0 HB3 GLU A 774 1.728 8.710 16.860 1.00 1.00 H new ATOM 0 HG2 GLU A 774 0.076 9.048 18.678 1.00 1.00 H new ATOM 0 HG3 GLU A 774 -0.068 7.315 18.896 1.00 1.00 H new ATOM 790 N GLY A 775 -0.663 9.941 15.118 1.00 1.00 N ATOM 791 CA GLY A 775 -1.388 11.185 14.929 1.00 1.00 C ATOM 792 C GLY A 775 -0.703 11.985 13.838 1.00 1.00 C ATOM 793 O GLY A 775 -0.860 11.644 12.665 1.00 1.00 O ATOM 0 H GLY A 775 0.057 9.781 14.413 1.00 1.00 H new ATOM 0 HA2 GLY A 775 -2.423 10.981 14.655 1.00 1.00 H new ATOM 0 HA3 GLY A 775 -1.410 11.755 15.858 1.00 1.00 H new ATOM 797 N LYS A 776 0.115 12.980 14.200 1.00 1.00 N ATOM 798 CA LYS A 776 0.799 13.905 13.280 1.00 1.00 C ATOM 799 C LYS A 776 1.893 13.276 12.410 1.00 1.00 C ATOM 800 O LYS A 776 2.749 13.988 11.873 1.00 1.00 O ATOM 801 CB LYS A 776 1.325 15.109 14.083 1.00 1.00 C ATOM 802 CG LYS A 776 0.236 16.145 14.356 1.00 1.00 C ATOM 803 CD LYS A 776 -0.155 17.025 13.154 1.00 1.00 C ATOM 804 CE LYS A 776 0.894 18.081 12.774 1.00 1.00 C ATOM 805 NZ LYS A 776 1.900 17.615 11.795 1.00 1.00 N ATOM 0 H LYS A 776 0.329 13.173 15.178 1.00 1.00 H new ATOM 0 HA LYS A 776 0.055 14.228 12.552 1.00 1.00 H new ATOM 0 HB2 LYS A 776 1.736 14.759 15.030 1.00 1.00 H new ATOM 0 HB3 LYS A 776 2.142 15.579 13.535 1.00 1.00 H new ATOM 0 HG2 LYS A 776 -0.655 15.626 14.710 1.00 1.00 H new ATOM 0 HG3 LYS A 776 0.570 16.793 15.166 1.00 1.00 H new ATOM 0 HD2 LYS A 776 -0.335 16.383 12.292 1.00 1.00 H new ATOM 0 HD3 LYS A 776 -1.095 17.529 13.378 1.00 1.00 H new ATOM 0 HE2 LYS A 776 0.383 18.953 12.365 1.00 1.00 H new ATOM 0 HE3 LYS A 776 1.408 18.407 13.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 776 2.854 17.821 12.153 1.00 1.00 H new ATOM 0 HZ2 LYS A 776 1.798 16.590 11.653 1.00 1.00 H new ATOM 0 HZ3 LYS A 776 1.756 18.106 10.889 1.00 1.00 H new ATOM 818 N ARG A 777 1.852 11.972 12.173 1.00 1.00 N ATOM 819 CA ARG A 777 2.727 11.222 11.290 1.00 1.00 C ATOM 820 C ARG A 777 1.872 10.135 10.650 1.00 1.00 C ATOM 821 O ARG A 777 2.147 8.954 10.841 1.00 1.00 O ATOM 822 CB ARG A 777 3.926 10.633 12.035 1.00 1.00 C ATOM 823 CG ARG A 777 4.804 11.646 12.775 1.00 1.00 C ATOM 824 CD ARG A 777 6.217 11.092 12.988 1.00 1.00 C ATOM 825 NE ARG A 777 6.210 9.738 13.570 1.00 1.00 N ATOM 826 CZ ARG A 777 6.724 9.346 14.735 1.00 1.00 C ATOM 827 NH1 ARG A 777 7.304 10.212 15.554 1.00 1.00 N ATOM 828 NH2 ARG A 777 6.666 8.072 15.087 1.00 1.00 N ATOM 0 H ARG A 777 1.160 11.373 12.623 1.00 1.00 H new ATOM 0 HA ARG A 777 3.154 11.877 10.530 1.00 1.00 H new ATOM 0 HB2 ARG A 777 3.560 9.901 12.755 1.00 1.00 H new ATOM 0 HB3 ARG A 777 4.547 10.094 11.320 1.00 1.00 H new ATOM 0 HG2 ARG A 777 4.855 12.574 12.205 1.00 1.00 H new ATOM 0 HG3 ARG A 777 4.355 11.888 13.738 1.00 1.00 H new ATOM 0 HD2 ARG A 777 6.743 11.071 12.034 1.00 1.00 H new ATOM 0 HD3 ARG A 777 6.772 11.763 13.644 1.00 1.00 H new ATOM 0 HE ARG A 777 5.757 9.013 13.013 1.00 1.00 H new ATOM 0 HH11 ARG A 777 7.362 11.197 15.296 1.00 1.00 H new ATOM 0 HH12 ARG A 777 7.692 9.893 16.442 1.00 1.00 H new ATOM 0 HH21 ARG A 777 6.228 7.391 14.467 1.00 1.00 H new ATOM 0 HH22 ARG A 777 7.059 7.771 15.979 1.00 1.00 H new ATOM 842 N ARG A 778 0.779 10.504 9.975 1.00 1.00 N ATOM 843 CA ARG A 778 -0.033 9.499 9.299 1.00 1.00 C ATOM 844 C ARG A 778 0.787 8.867 8.169 1.00 1.00 C ATOM 845 O ARG A 778 1.759 9.457 7.692 1.00 1.00 O ATOM 846 CB ARG A 778 -1.352 10.113 8.795 1.00 1.00 C ATOM 847 CG ARG A 778 -2.435 9.045 8.538 1.00 1.00 C ATOM 848 CD ARG A 778 -3.755 9.626 8.019 1.00 1.00 C ATOM 849 NE ARG A 778 -4.456 10.445 9.024 1.00 1.00 N ATOM 850 CZ ARG A 778 -5.777 10.512 9.236 1.00 1.00 C ATOM 851 NH1 ARG A 778 -6.633 9.733 8.582 1.00 1.00 N ATOM 852 NH2 ARG A 778 -6.251 11.379 10.119 1.00 1.00 N ATOM 0 H ARG A 778 0.446 11.464 9.885 1.00 1.00 H new ATOM 0 HA ARG A 778 -0.307 8.711 10.000 1.00 1.00 H new ATOM 0 HB2 ARG A 778 -1.720 10.831 9.528 1.00 1.00 H new ATOM 0 HB3 ARG A 778 -1.164 10.666 7.874 1.00 1.00 H new ATOM 0 HG2 ARG A 778 -2.057 8.322 7.816 1.00 1.00 H new ATOM 0 HG3 ARG A 778 -2.625 8.502 9.464 1.00 1.00 H new ATOM 0 HD2 ARG A 778 -3.556 10.234 7.137 1.00 1.00 H new ATOM 0 HD3 ARG A 778 -4.406 8.811 7.704 1.00 1.00 H new ATOM 0 HE ARG A 778 -3.870 11.025 9.625 1.00 1.00 H new ATOM 0 HH11 ARG A 778 -6.289 9.060 7.896 1.00 1.00 H new ATOM 0 HH12 ARG A 778 -7.634 9.808 8.766 1.00 1.00 H new ATOM 0 HH21 ARG A 778 -5.612 11.988 10.630 1.00 1.00 H new ATOM 0 HH22 ARG A 778 -7.255 11.438 10.288 1.00 1.00 H new ATOM 866 N PHE A 779 0.435 7.656 7.764 1.00 1.00 N ATOM 867 CA PHE A 779 0.979 6.904 6.646 1.00 1.00 C ATOM 868 C PHE A 779 -0.073 5.877 6.199 1.00 1.00 C ATOM 869 O PHE A 779 -1.219 5.920 6.660 1.00 1.00 O ATOM 870 CB PHE A 779 2.346 6.301 7.006 1.00 1.00 C ATOM 871 CG PHE A 779 2.423 5.340 8.174 1.00 1.00 C ATOM 872 CD1 PHE A 779 2.635 5.842 9.470 1.00 1.00 C ATOM 873 CD2 PHE A 779 2.437 3.947 7.961 1.00 1.00 C ATOM 874 CE1 PHE A 779 2.857 4.970 10.547 1.00 1.00 C ATOM 875 CE2 PHE A 779 2.661 3.077 9.044 1.00 1.00 C ATOM 876 CZ PHE A 779 2.863 3.584 10.336 1.00 1.00 C ATOM 0 H PHE A 779 -0.296 7.134 8.247 1.00 1.00 H new ATOM 0 HA PHE A 779 1.182 7.553 5.794 1.00 1.00 H new ATOM 0 HB2 PHE A 779 2.723 5.783 6.124 1.00 1.00 H new ATOM 0 HB3 PHE A 779 3.030 7.125 7.208 1.00 1.00 H new ATOM 0 HD1 PHE A 779 2.627 6.909 9.638 1.00 1.00 H new ATOM 0 HD2 PHE A 779 2.276 3.549 6.970 1.00 1.00 H new ATOM 0 HE1 PHE A 779 3.023 5.366 11.538 1.00 1.00 H new ATOM 0 HE2 PHE A 779 2.678 2.010 8.879 1.00 1.00 H new ATOM 0 HZ PHE A 779 3.022 2.910 11.165 1.00 1.00 H new ATOM 886 N ILE A 780 0.281 5.002 5.261 1.00 1.00 N ATOM 887 CA ILE A 780 -0.498 3.872 4.759 1.00 1.00 C ATOM 888 C ILE A 780 0.303 2.598 4.951 1.00 1.00 C ATOM 889 O ILE A 780 1.492 2.548 4.657 1.00 1.00 O ATOM 890 CB ILE A 780 -1.099 4.115 3.352 1.00 1.00 C ATOM 891 CG1 ILE A 780 -1.676 2.853 2.650 1.00 1.00 C ATOM 892 CG2 ILE A 780 -0.279 4.990 2.403 1.00 1.00 C ATOM 893 CD1 ILE A 780 -3.168 2.943 2.365 1.00 1.00 C ATOM 0 H ILE A 780 1.187 5.069 4.797 1.00 1.00 H new ATOM 0 HA ILE A 780 -1.406 3.750 5.350 1.00 1.00 H new ATOM 0 HB ILE A 780 -1.961 4.732 3.607 1.00 1.00 H new ATOM 0 HG12 ILE A 780 -1.144 2.694 1.712 1.00 1.00 H new ATOM 0 HG13 ILE A 780 -1.486 1.981 3.275 1.00 1.00 H new ATOM 0 HG21 ILE A 780 -0.803 5.086 1.452 1.00 1.00 H new ATOM 0 HG22 ILE A 780 -0.144 5.978 2.844 1.00 1.00 H new ATOM 0 HG23 ILE A 780 0.695 4.531 2.236 1.00 1.00 H new ATOM 0 HD11 ILE A 780 -3.501 2.028 1.875 1.00 1.00 H new ATOM 0 HD12 ILE A 780 -3.710 3.070 3.302 1.00 1.00 H new ATOM 0 HD13 ILE A 780 -3.363 3.795 1.714 1.00 1.00 H new ATOM 905 N THR A 781 -0.358 1.574 5.466 1.00 1.00 N ATOM 906 CA THR A 781 0.167 0.246 5.647 1.00 1.00 C ATOM 907 C THR A 781 -0.651 -0.692 4.778 1.00 1.00 C ATOM 908 O THR A 781 -1.858 -0.523 4.600 1.00 1.00 O ATOM 909 CB THR A 781 0.000 -0.151 7.120 1.00 1.00 C ATOM 910 OG1 THR A 781 0.729 0.732 7.940 1.00 1.00 O ATOM 911 CG2 THR A 781 0.466 -1.585 7.391 1.00 1.00 C ATOM 0 H THR A 781 -1.324 1.659 5.783 1.00 1.00 H new ATOM 0 HA THR A 781 1.221 0.198 5.375 1.00 1.00 H new ATOM 0 HB THR A 781 -1.064 -0.093 7.349 1.00 1.00 H new ATOM 0 HG1 THR A 781 1.239 1.353 7.379 1.00 1.00 H new ATOM 0 HG21 THR A 781 0.328 -1.819 8.447 1.00 1.00 H new ATOM 0 HG22 THR A 781 -0.119 -2.278 6.786 1.00 1.00 H new ATOM 0 HG23 THR A 781 1.521 -1.680 7.133 1.00 1.00 H new ATOM 919 N VAL A 782 0.009 -1.705 4.246 1.00 1.00 N ATOM 920 CA VAL A 782 -0.609 -2.772 3.495 1.00 1.00 C ATOM 921 C VAL A 782 0.068 -4.045 3.978 1.00 1.00 C ATOM 922 O VAL A 782 1.292 -4.089 4.091 1.00 1.00 O ATOM 923 CB VAL A 782 -0.525 -2.583 1.974 1.00 1.00 C ATOM 924 CG1 VAL A 782 -1.605 -1.645 1.450 1.00 1.00 C ATOM 925 CG2 VAL A 782 0.790 -1.958 1.512 1.00 1.00 C ATOM 0 H VAL A 782 1.020 -1.807 4.330 1.00 1.00 H new ATOM 0 HA VAL A 782 -1.684 -2.801 3.672 1.00 1.00 H new ATOM 0 HB VAL A 782 -0.634 -3.596 1.587 1.00 1.00 H new ATOM 0 HG11 VAL A 782 -1.505 -1.542 0.369 1.00 1.00 H new ATOM 0 HG12 VAL A 782 -2.588 -2.053 1.686 1.00 1.00 H new ATOM 0 HG13 VAL A 782 -1.496 -0.667 1.919 1.00 1.00 H new ATOM 0 HG21 VAL A 782 0.782 -1.853 0.427 1.00 1.00 H new ATOM 0 HG22 VAL A 782 0.907 -0.976 1.970 1.00 1.00 H new ATOM 0 HG23 VAL A 782 1.621 -2.598 1.808 1.00 1.00 H new ATOM 935 N SER A 783 -0.719 -5.069 4.285 1.00 1.00 N ATOM 936 CA SER A 783 -0.226 -6.318 4.855 1.00 1.00 C ATOM 937 C SER A 783 -0.572 -7.462 3.930 1.00 1.00 C ATOM 938 O SER A 783 -1.701 -7.532 3.464 1.00 1.00 O ATOM 939 CB SER A 783 -0.835 -6.604 6.222 1.00 1.00 C ATOM 940 OG SER A 783 -0.969 -5.450 7.035 1.00 1.00 O ATOM 0 H SER A 783 -1.729 -5.056 4.144 1.00 1.00 H new ATOM 0 HA SER A 783 0.853 -6.219 4.973 1.00 1.00 H new ATOM 0 HB2 SER A 783 -1.816 -7.058 6.086 1.00 1.00 H new ATOM 0 HB3 SER A 783 -0.215 -7.334 6.741 1.00 1.00 H new ATOM 0 HG SER A 783 -1.366 -5.700 7.895 1.00 1.00 H new ATOM 946 N LYS A 784 0.360 -8.372 3.699 1.00 1.00 N ATOM 947 CA LYS A 784 0.197 -9.553 2.865 1.00 1.00 C ATOM 948 C LYS A 784 -0.434 -10.709 3.583 1.00 1.00 C ATOM 949 O LYS A 784 0.188 -11.190 4.526 1.00 1.00 O ATOM 950 CB LYS A 784 1.560 -10.028 2.334 1.00 1.00 C ATOM 951 CG LYS A 784 2.017 -9.249 1.101 1.00 1.00 C ATOM 952 CD LYS A 784 1.675 -9.952 -0.230 1.00 1.00 C ATOM 953 CE LYS A 784 0.338 -10.722 -0.326 1.00 1.00 C ATOM 954 NZ LYS A 784 0.453 -12.133 0.092 1.00 1.00 N ATOM 0 H LYS A 784 1.293 -8.305 4.106 1.00 1.00 H new ATOM 0 HA LYS A 784 -0.465 -9.246 2.055 1.00 1.00 H new ATOM 0 HB2 LYS A 784 2.307 -9.926 3.121 1.00 1.00 H new ATOM 0 HB3 LYS A 784 1.500 -11.088 2.087 1.00 1.00 H new ATOM 0 HG2 LYS A 784 1.554 -8.262 1.112 1.00 1.00 H new ATOM 0 HG3 LYS A 784 3.095 -9.096 1.156 1.00 1.00 H new ATOM 0 HD2 LYS A 784 1.682 -9.198 -1.017 1.00 1.00 H new ATOM 0 HD3 LYS A 784 2.480 -10.653 -0.453 1.00 1.00 H new ATOM 0 HE2 LYS A 784 -0.407 -10.224 0.295 1.00 1.00 H new ATOM 0 HE3 LYS A 784 -0.025 -10.682 -1.353 1.00 1.00 H new ATOM 0 HZ1 LYS A 784 0.237 -12.753 -0.715 1.00 1.00 H new ATOM 0 HZ2 LYS A 784 1.421 -12.319 0.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 784 -0.219 -12.322 0.863 1.00 1.00 H new ATOM 967 N ARG A 785 -1.646 -11.132 3.197 1.00 1.00 N ATOM 968 CA ARG A 785 -2.170 -12.344 3.819 1.00 1.00 C ATOM 969 C ARG A 785 -1.308 -13.416 3.152 1.00 1.00 C ATOM 970 O ARG A 785 -1.354 -13.538 1.921 1.00 1.00 O ATOM 971 CB ARG A 785 -3.664 -12.540 3.536 1.00 1.00 C ATOM 972 CG ARG A 785 -4.515 -11.611 4.410 1.00 1.00 C ATOM 973 CD ARG A 785 -5.998 -11.881 4.162 1.00 1.00 C ATOM 974 NE ARG A 785 -6.851 -11.206 5.151 1.00 1.00 N ATOM 975 CZ ARG A 785 -8.162 -10.983 5.005 1.00 1.00 C ATOM 976 NH1 ARG A 785 -8.808 -11.410 3.929 1.00 1.00 N ATOM 977 NH2 ARG A 785 -8.815 -10.329 5.954 1.00 1.00 N ATOM 0 H ARG A 785 -2.245 -10.684 2.503 1.00 1.00 H new ATOM 0 HA ARG A 785 -2.116 -12.345 4.908 1.00 1.00 H new ATOM 0 HB2 ARG A 785 -3.867 -12.342 2.484 1.00 1.00 H new ATOM 0 HB3 ARG A 785 -3.941 -13.577 3.725 1.00 1.00 H new ATOM 0 HG2 ARG A 785 -4.278 -11.769 5.462 1.00 1.00 H new ATOM 0 HG3 ARG A 785 -4.283 -10.570 4.184 1.00 1.00 H new ATOM 0 HD2 ARG A 785 -6.266 -11.543 3.161 1.00 1.00 H new ATOM 0 HD3 ARG A 785 -6.182 -12.955 4.196 1.00 1.00 H new ATOM 0 HE ARG A 785 -6.410 -10.884 6.013 1.00 1.00 H new ATOM 0 HH11 ARG A 785 -8.305 -11.916 3.200 1.00 1.00 H new ATOM 0 HH12 ARG A 785 -9.808 -11.233 3.831 1.00 1.00 H new ATOM 0 HH21 ARG A 785 -8.318 -10.003 6.783 1.00 1.00 H new ATOM 0 HH22 ARG A 785 -9.815 -10.152 5.856 1.00 1.00 H new ATOM 991 N ALA A 786 -0.455 -14.093 3.918 1.00 1.00 N ATOM 992 CA ALA A 786 0.505 -15.057 3.412 1.00 1.00 C ATOM 993 C ALA A 786 -0.172 -16.401 3.239 1.00 1.00 C ATOM 994 O ALA A 786 -0.531 -16.747 2.096 1.00 1.00 O ATOM 995 CB ALA A 786 1.698 -15.117 4.374 1.00 1.00 C ATOM 0 H ALA A 786 -0.416 -13.980 4.931 1.00 1.00 H new ATOM 0 HA ALA A 786 0.880 -14.759 2.433 1.00 1.00 H new ATOM 0 HB1 ALA A 786 2.427 -15.838 4.005 1.00 1.00 H new ATOM 0 HB2 ALA A 786 2.162 -14.133 4.440 1.00 1.00 H new ATOM 0 HB3 ALA A 786 1.354 -15.422 5.362 1.00 1.00 H new