USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 428 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 757 CYS SG : rot -110:sc= -5! USER MOD Set 1.2: A 760 CYS SG : rot -105:sc= -1.86 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -2.13 K(o=-13,f=-19) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.24 K(o=-13,f=-15!) USER MOD Set 2.1: A 755 LYS NZ :NH3+ 175:sc= 1.08 (180deg=-0.0317) USER MOD Set 2.2: A 770 GLN : amide:sc= -0.991 K(o=0.085,f=-6.3!) USER MOD Set 3.1: A 730 CYS SG : rot -125:sc= -3.97! USER MOD Set 3.2: A 733 CYS SG : rot -104:sc= -0.121 USER MOD Set 3.3: A 749 HIS : no HE2:sc= -2.72 K(o=-9.6,f=-15!) USER MOD Set 3.4: A 753 HIS : no HE2:sc= -2.79 K(o=-9.6,f=-14!) USER MOD Set 4.1: A 727 HIS : no HD1:sc= -4.15! K(o=-4.2!,f=-2.4) USER MOD Set 4.2: A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 728 LYS NZ :NH3+ 156:sc= -1.44 (180deg=-2.17) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 741 TYR OH : rot 180:sc= 0 USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 744 SER OG : rot 180:sc= 0.0553 USER MOD Single : A 745 LYS NZ :NH3+ 162:sc= -0.0247 (180deg=-0.263) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 759 MET CE :methyl -113:sc= -2.51 (180deg=-6.9!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -5.05 K(o=-5,f=-13!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 778 GLN : amide:sc= -1.65 X(o=-1.6,f=-1.2) USER MOD Single : A 779 THR OG1 : rot 39:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.504 3.448 -1.859 1.00 0.00 N ATOM 74 CA HIS A 727 19.516 2.961 -0.903 1.00 0.00 C ATOM 75 C HIS A 727 18.099 3.157 -1.431 1.00 0.00 C ATOM 76 O HIS A 727 17.779 4.197 -2.008 1.00 0.00 O ATOM 77 CB HIS A 727 19.676 3.680 0.438 1.00 0.00 C ATOM 78 CG HIS A 727 20.532 2.937 1.416 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.139 3.539 2.498 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.879 1.630 1.472 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.824 2.636 3.175 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.682 1.469 2.574 1.00 0.00 N ATOM 0 HA HIS A 727 19.685 1.894 -0.760 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.109 4.665 0.264 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.691 3.838 0.876 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.580 0.858 0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.402 2.820 4.068 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.101 0.590 2.879 1.00 0.00 H new ATOM 91 N LYS A 728 17.252 2.153 -1.227 1.00 0.00 N ATOM 92 CA LYS A 728 15.867 2.216 -1.678 1.00 0.00 C ATOM 93 C LYS A 728 14.996 2.924 -0.645 1.00 0.00 C ATOM 94 O LYS A 728 15.029 2.592 0.540 1.00 0.00 O ATOM 95 CB LYS A 728 15.329 0.809 -1.939 1.00 0.00 C ATOM 96 CG LYS A 728 15.924 0.149 -3.171 1.00 0.00 C ATOM 97 CD LYS A 728 15.396 -1.265 -3.356 1.00 0.00 C ATOM 98 CE LYS A 728 14.063 -1.272 -4.085 1.00 0.00 C ATOM 99 NZ LYS A 728 13.435 -2.622 -4.081 1.00 0.00 N ATOM 0 H LYS A 728 17.501 1.286 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 728 15.836 2.785 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.532 0.184 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.246 0.858 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.689 0.744 -4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 728 17.010 0.124 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 728 16.121 -1.855 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 728 15.282 -1.742 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 728 13.388 -0.556 -3.615 1.00 0.00 H new ATOM 0 HE3 LYS A 728 14.210 -0.943 -5.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 12.407 -2.527 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 13.825 -3.189 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 13.634 -3.095 -3.176 1.00 0.00 H new ATOM 113 N LYS A 729 14.222 3.903 -1.100 1.00 0.00 N ATOM 114 CA LYS A 729 13.346 4.659 -0.212 1.00 0.00 C ATOM 115 C LYS A 729 11.885 4.499 -0.616 1.00 0.00 C ATOM 116 O LYS A 729 11.510 4.782 -1.754 1.00 0.00 O ATOM 117 CB LYS A 729 13.730 6.140 -0.226 1.00 0.00 C ATOM 118 CG LYS A 729 13.274 6.899 1.010 1.00 0.00 C ATOM 119 CD LYS A 729 13.494 8.396 0.857 1.00 0.00 C ATOM 120 CE LYS A 729 12.650 9.185 1.844 1.00 0.00 C ATOM 121 NZ LYS A 729 12.934 10.645 1.774 1.00 0.00 N ATOM 0 H LYS A 729 14.183 4.192 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 729 13.468 4.265 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 729 14.813 6.225 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.299 6.610 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.217 6.702 1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 729 13.819 6.537 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 729 14.548 8.628 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 729 13.246 8.700 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 729 11.594 9.010 1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 729 12.843 8.826 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 12.338 11.148 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 13.936 10.815 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 12.726 10.994 0.816 1.00 0.00 H new ATOM 135 N CYS A 730 11.063 4.049 0.326 1.00 0.00 N ATOM 136 CA CYS A 730 9.640 3.857 0.070 1.00 0.00 C ATOM 137 C CYS A 730 8.926 5.209 0.000 1.00 0.00 C ATOM 138 O CYS A 730 9.121 6.062 0.865 1.00 0.00 O ATOM 139 CB CYS A 730 9.023 2.980 1.169 1.00 0.00 C ATOM 140 SG CYS A 730 7.214 2.994 1.216 1.00 0.00 S ATOM 0 H CYS A 730 11.357 3.811 1.273 1.00 0.00 H new ATOM 0 HA CYS A 730 9.518 3.354 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.362 1.953 1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.401 3.312 2.136 1.00 0.00 H new ATOM 0 HG CYS A 730 6.813 3.330 2.406 1.00 0.00 H new ATOM 145 N PRO A 731 8.091 5.433 -1.037 1.00 0.00 N ATOM 146 CA PRO A 731 7.365 6.693 -1.209 1.00 0.00 C ATOM 147 C PRO A 731 6.132 6.801 -0.308 1.00 0.00 C ATOM 148 O PRO A 731 5.072 7.244 -0.750 1.00 0.00 O ATOM 149 CB PRO A 731 6.938 6.676 -2.688 1.00 0.00 C ATOM 150 CG PRO A 731 7.511 5.423 -3.276 1.00 0.00 C ATOM 151 CD PRO A 731 7.796 4.499 -2.128 1.00 0.00 C ATOM 0 HA PRO A 731 7.989 7.545 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 731 5.852 6.687 -2.779 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.311 7.557 -3.211 1.00 0.00 H new ATOM 0 HG2 PRO A 731 6.809 4.967 -3.975 1.00 0.00 H new ATOM 0 HG3 PRO A 731 8.422 5.639 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 731 6.942 3.862 -1.898 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.638 3.839 -2.337 1.00 0.00 H new ATOM 159 N LEU A 732 6.277 6.403 0.953 1.00 0.00 N ATOM 160 CA LEU A 732 5.173 6.465 1.907 1.00 0.00 C ATOM 161 C LEU A 732 5.691 6.785 3.305 1.00 0.00 C ATOM 162 O LEU A 732 5.162 7.660 3.991 1.00 0.00 O ATOM 163 CB LEU A 732 4.410 5.137 1.932 1.00 0.00 C ATOM 164 CG LEU A 732 3.652 4.796 0.646 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.931 3.363 0.224 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.158 5.018 0.832 1.00 0.00 C ATOM 0 H LEU A 732 7.147 6.035 1.338 1.00 0.00 H new ATOM 0 HA LEU A 732 4.496 7.258 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.117 4.334 2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.699 5.160 2.758 1.00 0.00 H new ATOM 0 HG LEU A 732 4.002 5.460 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.383 3.140 -0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.999 3.237 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.611 2.682 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.636 4.771 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.793 4.380 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 732 1.974 6.062 1.084 1.00 0.00 H new ATOM 178 N CYS A 733 6.729 6.066 3.717 1.00 0.00 N ATOM 179 CA CYS A 733 7.328 6.261 5.030 1.00 0.00 C ATOM 180 C CYS A 733 8.671 6.978 4.909 1.00 0.00 C ATOM 181 O CYS A 733 9.005 7.516 3.854 1.00 0.00 O ATOM 182 CB CYS A 733 7.515 4.911 5.722 1.00 0.00 C ATOM 183 SG CYS A 733 8.657 3.805 4.863 1.00 0.00 S ATOM 0 H CYS A 733 7.174 5.339 3.157 1.00 0.00 H new ATOM 0 HA CYS A 733 6.660 6.881 5.628 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.880 5.080 6.735 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.546 4.421 5.810 1.00 0.00 H new ATOM 0 HG CYS A 733 7.983 2.884 4.240 1.00 0.00 H new ATOM 188 N GLU A 734 9.442 6.978 5.994 1.00 0.00 N ATOM 189 CA GLU A 734 10.748 7.627 6.004 1.00 0.00 C ATOM 190 C GLU A 734 11.842 6.639 6.406 1.00 0.00 C ATOM 191 O GLU A 734 12.713 6.956 7.217 1.00 0.00 O ATOM 192 CB GLU A 734 10.737 8.825 6.958 1.00 0.00 C ATOM 193 CG GLU A 734 10.601 10.163 6.251 1.00 0.00 C ATOM 194 CD GLU A 734 11.937 10.847 6.038 1.00 0.00 C ATOM 195 OE1 GLU A 734 12.939 10.136 5.813 1.00 0.00 O ATOM 196 OE2 GLU A 734 11.981 12.094 6.096 1.00 0.00 O ATOM 0 H GLU A 734 9.184 6.536 6.876 1.00 0.00 H new ATOM 0 HA GLU A 734 10.962 7.982 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 734 9.913 8.710 7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 734 11.658 8.823 7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.116 10.013 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.952 10.815 6.836 1.00 0.00 H new ATOM 203 N LEU A 735 11.791 5.440 5.833 1.00 0.00 N ATOM 204 CA LEU A 735 12.779 4.408 6.133 1.00 0.00 C ATOM 205 C LEU A 735 13.725 4.198 4.954 1.00 0.00 C ATOM 206 O LEU A 735 13.414 4.563 3.820 1.00 0.00 O ATOM 207 CB LEU A 735 12.084 3.090 6.484 1.00 0.00 C ATOM 208 CG LEU A 735 12.650 2.367 7.708 1.00 0.00 C ATOM 209 CD1 LEU A 735 11.817 2.676 8.943 1.00 0.00 C ATOM 210 CD2 LEU A 735 12.706 0.866 7.464 1.00 0.00 C ATOM 0 H LEU A 735 11.078 5.159 5.160 1.00 0.00 H new ATOM 0 HA LEU A 735 13.364 4.742 6.990 1.00 0.00 H new ATOM 0 HB2 LEU A 735 11.026 3.289 6.655 1.00 0.00 H new ATOM 0 HB3 LEU A 735 12.148 2.423 5.625 1.00 0.00 H new ATOM 0 HG LEU A 735 13.665 2.725 7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.234 2.153 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 735 11.828 3.750 9.130 1.00 0.00 H new ATOM 0 HD13 LEU A 735 10.791 2.347 8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 735 13.111 0.369 8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 735 11.702 0.492 7.266 1.00 0.00 H new ATOM 0 HD23 LEU A 735 13.345 0.661 6.606 1.00 0.00 H new ATOM 222 N MET A 736 14.880 3.603 5.232 1.00 0.00 N ATOM 223 CA MET A 736 15.875 3.336 4.199 1.00 0.00 C ATOM 224 C MET A 736 16.197 1.847 4.134 1.00 0.00 C ATOM 225 O MET A 736 16.356 1.192 5.165 1.00 0.00 O ATOM 226 CB MET A 736 17.149 4.138 4.467 1.00 0.00 C ATOM 227 CG MET A 736 17.788 4.706 3.210 1.00 0.00 C ATOM 228 SD MET A 736 17.447 6.463 2.990 1.00 0.00 S ATOM 229 CE MET A 736 19.041 7.048 2.419 1.00 0.00 C ATOM 0 H MET A 736 15.151 3.296 6.166 1.00 0.00 H new ATOM 0 HA MET A 736 15.461 3.643 3.239 1.00 0.00 H new ATOM 0 HB2 MET A 736 16.916 4.957 5.148 1.00 0.00 H new ATOM 0 HB3 MET A 736 17.871 3.498 4.974 1.00 0.00 H new ATOM 0 HG2 MET A 736 18.866 4.552 3.254 1.00 0.00 H new ATOM 0 HG3 MET A 736 17.423 4.158 2.342 1.00 0.00 H new ATOM 0 HE1 MET A 736 18.991 8.122 2.238 1.00 0.00 H new ATOM 0 HE2 MET A 736 19.797 6.842 3.177 1.00 0.00 H new ATOM 0 HE3 MET A 736 19.306 6.536 1.494 1.00 0.00 H new ATOM 239 N PHE A 737 16.290 1.316 2.919 1.00 0.00 N ATOM 240 CA PHE A 737 16.589 -0.100 2.728 1.00 0.00 C ATOM 241 C PHE A 737 17.929 -0.287 2.018 1.00 0.00 C ATOM 242 O PHE A 737 18.314 0.523 1.175 1.00 0.00 O ATOM 243 CB PHE A 737 15.472 -0.774 1.928 1.00 0.00 C ATOM 244 CG PHE A 737 14.154 -0.815 2.651 1.00 0.00 C ATOM 245 CD1 PHE A 737 14.101 -1.058 4.016 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.968 -0.610 1.965 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.890 -1.096 4.679 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.754 -0.648 2.625 1.00 0.00 C ATOM 249 CZ PHE A 737 11.715 -0.892 3.984 1.00 0.00 C ATOM 0 H PHE A 737 16.163 1.842 2.054 1.00 0.00 H new ATOM 0 HA PHE A 737 16.655 -0.567 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.343 -0.245 0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.775 -1.792 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 737 15.016 -1.219 4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 737 12.992 -0.418 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.862 -1.285 5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.837 -0.487 2.078 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.768 -0.923 4.501 1.00 0.00 H new ATOM 259 N PRO A 738 18.661 -1.365 2.355 1.00 0.00 N ATOM 260 CA PRO A 738 19.965 -1.659 1.750 1.00 0.00 C ATOM 261 C PRO A 738 19.849 -2.064 0.282 1.00 0.00 C ATOM 262 O PRO A 738 18.803 -2.541 -0.158 1.00 0.00 O ATOM 263 CB PRO A 738 20.489 -2.830 2.585 1.00 0.00 C ATOM 264 CG PRO A 738 19.267 -3.485 3.129 1.00 0.00 C ATOM 265 CD PRO A 738 18.274 -2.379 3.354 1.00 0.00 C ATOM 0 HA PRO A 738 20.619 -0.787 1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 738 21.071 -3.522 1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 738 21.142 -2.484 3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.876 -4.225 2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.486 -4.009 4.059 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.250 -2.721 3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.333 -1.986 4.369 1.00 0.00 H new ATOM 273 N PRO A 739 20.931 -1.880 -0.498 1.00 0.00 N ATOM 274 CA PRO A 739 20.947 -2.230 -1.924 1.00 0.00 C ATOM 275 C PRO A 739 20.643 -3.706 -2.160 1.00 0.00 C ATOM 276 O PRO A 739 20.175 -4.089 -3.232 1.00 0.00 O ATOM 277 CB PRO A 739 22.378 -1.904 -2.363 1.00 0.00 C ATOM 278 CG PRO A 739 22.888 -0.943 -1.345 1.00 0.00 C ATOM 279 CD PRO A 739 22.219 -1.318 -0.054 1.00 0.00 C ATOM 0 HA PRO A 739 20.185 -1.686 -2.482 1.00 0.00 H new ATOM 0 HB2 PRO A 739 22.993 -2.803 -2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.394 -1.466 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.972 -1.007 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 739 22.651 0.084 -1.624 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.805 -2.046 0.507 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.080 -0.453 0.594 1.00 0.00 H new ATOM 287 N ASN A 740 20.912 -4.531 -1.152 1.00 0.00 N ATOM 288 CA ASN A 740 20.667 -5.966 -1.248 1.00 0.00 C ATOM 289 C ASN A 740 19.260 -6.324 -0.770 1.00 0.00 C ATOM 290 O ASN A 740 18.952 -7.494 -0.546 1.00 0.00 O ATOM 291 CB ASN A 740 21.705 -6.736 -0.431 1.00 0.00 C ATOM 292 CG ASN A 740 22.068 -8.067 -1.061 1.00 0.00 C ATOM 293 OD1 ASN A 740 21.257 -8.679 -1.755 1.00 0.00 O ATOM 294 ND2 ASN A 740 23.292 -8.521 -0.822 1.00 0.00 N ATOM 0 H ASN A 740 21.300 -4.229 -0.258 1.00 0.00 H new ATOM 0 HA ASN A 740 20.752 -6.249 -2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.605 -6.129 -0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.318 -6.907 0.574 1.00 0.00 H new ATOM 0 HD21 ASN A 740 23.593 -9.411 -1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.932 -7.980 -0.240 1.00 0.00 H new ATOM 301 N TYR A 741 18.410 -5.311 -0.614 1.00 0.00 N ATOM 302 CA TYR A 741 17.041 -5.527 -0.162 1.00 0.00 C ATOM 303 C TYR A 741 16.188 -6.126 -1.275 1.00 0.00 C ATOM 304 O TYR A 741 16.246 -5.681 -2.422 1.00 0.00 O ATOM 305 CB TYR A 741 16.431 -4.207 0.310 1.00 0.00 C ATOM 306 CG TYR A 741 15.129 -4.369 1.060 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.926 -4.506 0.380 1.00 0.00 C ATOM 308 CD2 TYR A 741 15.102 -4.380 2.448 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.733 -4.651 1.062 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.915 -4.523 3.138 1.00 0.00 C ATOM 311 CZ TYR A 741 12.733 -4.658 2.442 1.00 0.00 C ATOM 312 OH TYR A 741 11.547 -4.798 3.127 1.00 0.00 O ATOM 0 H TYR A 741 18.646 -4.335 -0.794 1.00 0.00 H new ATOM 0 HA TYR A 741 17.063 -6.231 0.670 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.148 -3.696 0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.264 -3.565 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.923 -4.499 -0.700 1.00 0.00 H new ATOM 0 HD2 TYR A 741 16.026 -4.275 2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.806 -4.758 0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.912 -4.529 4.218 1.00 0.00 H new ATOM 0 HH TYR A 741 11.722 -4.784 4.091 1.00 0.00 H new ATOM 322 N ASP A 742 15.397 -7.136 -0.929 1.00 0.00 N ATOM 323 CA ASP A 742 14.533 -7.796 -1.899 1.00 0.00 C ATOM 324 C ASP A 742 13.422 -6.858 -2.361 1.00 0.00 C ATOM 325 O ASP A 742 12.641 -6.359 -1.551 1.00 0.00 O ATOM 326 CB ASP A 742 13.927 -9.064 -1.295 1.00 0.00 C ATOM 327 CG ASP A 742 13.836 -10.197 -2.299 1.00 0.00 C ATOM 328 OD1 ASP A 742 13.803 -9.911 -3.515 1.00 0.00 O ATOM 329 OD2 ASP A 742 13.799 -11.369 -1.869 1.00 0.00 O ATOM 0 H ASP A 742 15.337 -7.515 0.016 1.00 0.00 H new ATOM 0 HA ASP A 742 15.139 -8.068 -2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.531 -9.383 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 742 12.931 -8.841 -0.912 1.00 0.00 H new ATOM 334 N GLN A 743 13.359 -6.622 -3.668 1.00 0.00 N ATOM 335 CA GLN A 743 12.345 -5.742 -4.238 1.00 0.00 C ATOM 336 C GLN A 743 10.945 -6.218 -3.876 1.00 0.00 C ATOM 337 O GLN A 743 10.083 -5.421 -3.510 1.00 0.00 O ATOM 338 CB GLN A 743 12.498 -5.670 -5.755 1.00 0.00 C ATOM 339 CG GLN A 743 12.037 -4.351 -6.352 1.00 0.00 C ATOM 340 CD GLN A 743 11.114 -4.538 -7.541 1.00 0.00 C ATOM 341 OE1 GLN A 743 11.567 -4.732 -8.669 1.00 0.00 O ATOM 342 NE2 GLN A 743 9.810 -4.478 -7.294 1.00 0.00 N ATOM 0 H GLN A 743 13.998 -7.028 -4.352 1.00 0.00 H new ATOM 0 HA GLN A 743 12.487 -4.746 -3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.545 -5.830 -6.014 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.930 -6.482 -6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 743 11.523 -3.770 -5.586 1.00 0.00 H new ATOM 0 HG3 GLN A 743 12.908 -3.772 -6.660 1.00 0.00 H new ATOM 0 HE21 GLN A 743 9.478 -4.315 -6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.141 -4.595 -8.055 1.00 0.00 H new ATOM 351 N SER A 744 10.727 -7.525 -3.972 1.00 0.00 N ATOM 352 CA SER A 744 9.430 -8.106 -3.645 1.00 0.00 C ATOM 353 C SER A 744 9.015 -7.698 -2.236 1.00 0.00 C ATOM 354 O SER A 744 7.875 -7.292 -2.000 1.00 0.00 O ATOM 355 CB SER A 744 9.483 -9.630 -3.755 1.00 0.00 C ATOM 356 OG SER A 744 10.805 -10.109 -3.583 1.00 0.00 O ATOM 0 H SER A 744 11.430 -8.201 -4.273 1.00 0.00 H new ATOM 0 HA SER A 744 8.693 -7.732 -4.355 1.00 0.00 H new ATOM 0 HB2 SER A 744 8.831 -10.075 -3.003 1.00 0.00 H new ATOM 0 HB3 SER A 744 9.104 -9.941 -4.729 1.00 0.00 H new ATOM 0 HG SER A 744 10.811 -11.086 -3.656 1.00 0.00 H new ATOM 362 N LYS A 745 9.962 -7.783 -1.309 1.00 0.00 N ATOM 363 CA LYS A 745 9.710 -7.400 0.070 1.00 0.00 C ATOM 364 C LYS A 745 9.433 -5.907 0.135 1.00 0.00 C ATOM 365 O LYS A 745 8.611 -5.445 0.926 1.00 0.00 O ATOM 366 CB LYS A 745 10.905 -7.758 0.955 1.00 0.00 C ATOM 367 CG LYS A 745 10.913 -9.209 1.407 1.00 0.00 C ATOM 368 CD LYS A 745 11.574 -9.364 2.768 1.00 0.00 C ATOM 369 CE LYS A 745 11.834 -10.826 3.097 1.00 0.00 C ATOM 370 NZ LYS A 745 12.868 -11.424 2.207 1.00 0.00 N ATOM 0 H LYS A 745 10.910 -8.114 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 745 8.841 -7.945 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.826 -7.551 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.903 -7.112 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 745 9.890 -9.583 1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.442 -9.817 0.673 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.515 -8.814 2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 745 10.937 -8.925 3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.156 -10.912 4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 745 10.906 -11.389 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 13.235 -12.296 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 12.445 -11.646 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 13.647 -10.748 2.077 1.00 0.00 H new ATOM 384 N PHE A 746 10.124 -5.158 -0.720 1.00 0.00 N ATOM 385 CA PHE A 746 9.954 -3.716 -0.783 1.00 0.00 C ATOM 386 C PHE A 746 8.552 -3.384 -1.265 1.00 0.00 C ATOM 387 O PHE A 746 7.910 -2.469 -0.757 1.00 0.00 O ATOM 388 CB PHE A 746 10.995 -3.094 -1.715 1.00 0.00 C ATOM 389 CG PHE A 746 10.943 -1.593 -1.751 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.040 -0.857 -0.581 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.796 -0.918 -2.952 1.00 0.00 C ATOM 392 CE1 PHE A 746 10.992 0.524 -0.607 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.747 0.464 -2.986 1.00 0.00 C ATOM 394 CZ PHE A 746 10.845 1.185 -1.812 1.00 0.00 C ATOM 0 H PHE A 746 10.808 -5.530 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 746 10.095 -3.301 0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.989 -3.408 -1.398 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.845 -3.480 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.155 -1.369 0.363 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.719 -1.477 -3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.069 1.086 0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.632 0.978 -3.929 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.807 2.264 -1.836 1.00 0.00 H new ATOM 404 N GLU A 747 8.075 -4.152 -2.241 1.00 0.00 N ATOM 405 CA GLU A 747 6.737 -3.956 -2.777 1.00 0.00 C ATOM 406 C GLU A 747 5.706 -4.169 -1.677 1.00 0.00 C ATOM 407 O GLU A 747 4.752 -3.404 -1.542 1.00 0.00 O ATOM 408 CB GLU A 747 6.478 -4.918 -3.938 1.00 0.00 C ATOM 409 CG GLU A 747 6.778 -4.319 -5.302 1.00 0.00 C ATOM 410 CD GLU A 747 5.628 -3.491 -5.840 1.00 0.00 C ATOM 411 OE1 GLU A 747 4.789 -3.042 -5.031 1.00 0.00 O ATOM 412 OE2 GLU A 747 5.566 -3.292 -7.072 1.00 0.00 O ATOM 0 H GLU A 747 8.597 -4.914 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 747 6.654 -2.936 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.087 -5.812 -3.801 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.435 -5.235 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 747 7.669 -3.695 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.004 -5.121 -6.005 1.00 0.00 H new ATOM 419 N GLU A 748 5.919 -5.214 -0.886 1.00 0.00 N ATOM 420 CA GLU A 748 5.024 -5.536 0.218 1.00 0.00 C ATOM 421 C GLU A 748 5.041 -4.428 1.264 1.00 0.00 C ATOM 422 O GLU A 748 4.001 -4.051 1.805 1.00 0.00 O ATOM 423 CB GLU A 748 5.428 -6.865 0.858 1.00 0.00 C ATOM 424 CG GLU A 748 4.574 -8.041 0.412 1.00 0.00 C ATOM 425 CD GLU A 748 3.602 -8.495 1.482 1.00 0.00 C ATOM 426 OE1 GLU A 748 3.182 -7.650 2.300 1.00 0.00 O ATOM 427 OE2 GLU A 748 3.259 -9.696 1.502 1.00 0.00 O ATOM 0 H GLU A 748 6.706 -5.854 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 748 4.012 -5.626 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.471 -7.072 0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.364 -6.771 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 748 4.019 -7.763 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.223 -8.873 0.139 1.00 0.00 H new ATOM 434 N HIS A 749 6.231 -3.904 1.535 1.00 0.00 N ATOM 435 CA HIS A 749 6.393 -2.830 2.507 1.00 0.00 C ATOM 436 C HIS A 749 5.722 -1.561 1.995 1.00 0.00 C ATOM 437 O HIS A 749 4.956 -0.916 2.710 1.00 0.00 O ATOM 438 CB HIS A 749 7.886 -2.599 2.776 1.00 0.00 C ATOM 439 CG HIS A 749 8.232 -1.216 3.238 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.417 -0.871 4.557 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.445 -0.084 2.521 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.732 0.430 4.599 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.762 0.952 3.390 1.00 0.00 N ATOM 0 H HIS A 749 7.099 -4.207 1.094 1.00 0.00 H new ATOM 0 HA HIS A 749 5.915 -3.109 3.446 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.220 -3.313 3.528 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.443 -2.813 1.864 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.330 -1.495 5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.379 -0.002 1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.935 0.980 5.506 1.00 0.00 H new ATOM 451 N VAL A 750 6.002 -1.228 0.744 1.00 0.00 N ATOM 452 CA VAL A 750 5.414 -0.056 0.116 1.00 0.00 C ATOM 453 C VAL A 750 3.897 -0.192 0.070 1.00 0.00 C ATOM 454 O VAL A 750 3.164 0.762 0.332 1.00 0.00 O ATOM 455 CB VAL A 750 5.953 0.130 -1.315 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.345 1.360 -1.976 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.471 0.220 -1.306 1.00 0.00 C ATOM 0 H VAL A 750 6.635 -1.755 0.143 1.00 0.00 H new ATOM 0 HA VAL A 750 5.686 0.817 0.710 1.00 0.00 H new ATOM 0 HB VAL A 750 5.662 -0.742 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.744 1.466 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.262 1.249 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.593 2.247 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.834 0.351 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.782 1.070 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.887 -0.696 -0.888 1.00 0.00 H new ATOM 467 N GLU A 751 3.433 -1.395 -0.256 1.00 0.00 N ATOM 468 CA GLU A 751 2.005 -1.672 -0.328 1.00 0.00 C ATOM 469 C GLU A 751 1.388 -1.696 1.066 1.00 0.00 C ATOM 470 O GLU A 751 0.200 -1.422 1.235 1.00 0.00 O ATOM 471 CB GLU A 751 1.758 -3.008 -1.032 1.00 0.00 C ATOM 472 CG GLU A 751 2.216 -3.026 -2.482 1.00 0.00 C ATOM 473 CD GLU A 751 2.608 -4.412 -2.952 1.00 0.00 C ATOM 474 OE1 GLU A 751 2.892 -5.273 -2.092 1.00 0.00 O ATOM 475 OE2 GLU A 751 2.631 -4.638 -4.180 1.00 0.00 O ATOM 0 H GLU A 751 4.028 -2.194 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 751 1.532 -0.875 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.275 -3.798 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.693 -3.238 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.416 -2.644 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 751 3.065 -2.353 -2.599 1.00 0.00 H new ATOM 482 N SER A 752 2.202 -2.022 2.066 1.00 0.00 N ATOM 483 CA SER A 752 1.732 -2.072 3.445 1.00 0.00 C ATOM 484 C SER A 752 1.121 -0.735 3.848 1.00 0.00 C ATOM 485 O SER A 752 0.112 -0.686 4.552 1.00 0.00 O ATOM 486 CB SER A 752 2.881 -2.428 4.388 1.00 0.00 C ATOM 487 OG SER A 752 2.409 -2.660 5.704 1.00 0.00 O ATOM 0 H SER A 752 3.188 -2.255 1.947 1.00 0.00 H new ATOM 0 HA SER A 752 0.966 -2.844 3.519 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.395 -3.317 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.611 -1.619 4.398 1.00 0.00 H new ATOM 0 HG SER A 752 3.163 -2.887 6.287 1.00 0.00 H new ATOM 493 N HIS A 753 1.740 0.349 3.389 1.00 0.00 N ATOM 494 CA HIS A 753 1.256 1.693 3.696 1.00 0.00 C ATOM 495 C HIS A 753 0.013 2.033 2.876 1.00 0.00 C ATOM 496 O HIS A 753 -0.784 2.884 3.268 1.00 0.00 O ATOM 497 CB HIS A 753 2.344 2.731 3.418 1.00 0.00 C ATOM 498 CG HIS A 753 3.692 2.352 3.943 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.108 2.597 5.233 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.732 1.738 3.324 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.359 2.137 5.355 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.785 1.605 4.225 1.00 0.00 N ATOM 0 H HIS A 753 2.576 0.324 2.805 1.00 0.00 H new ATOM 0 HA HIS A 753 0.995 1.714 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.415 2.889 2.342 1.00 0.00 H new ATOM 0 HB3 HIS A 753 2.047 3.682 3.861 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.560 3.049 5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.741 1.406 2.296 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.944 2.194 6.261 1.00 0.00 H new ATOM 510 N TRP A 754 -0.142 1.369 1.735 1.00 0.00 N ATOM 511 CA TRP A 754 -1.283 1.610 0.858 1.00 0.00 C ATOM 512 C TRP A 754 -2.591 1.207 1.531 1.00 0.00 C ATOM 513 O TRP A 754 -2.598 0.433 2.488 1.00 0.00 O ATOM 514 CB TRP A 754 -1.124 0.834 -0.449 1.00 0.00 C ATOM 515 CG TRP A 754 -0.160 1.462 -1.407 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.941 2.206 -1.097 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.213 1.399 -2.835 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.574 2.610 -2.247 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.884 2.127 -3.327 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.084 0.796 -3.743 1.00 0.00 C ATOM 521 CZ2 TRP A 754 1.133 2.269 -4.690 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.837 0.936 -5.096 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.264 1.667 -5.559 1.00 0.00 C ATOM 0 H TRP A 754 0.508 0.660 1.396 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.315 2.678 0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.790 -0.178 -0.222 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.098 0.748 -0.931 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.267 2.442 -0.095 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.420 3.178 -2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -1.936 0.230 -3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.981 2.834 -5.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.505 0.474 -5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.431 1.757 -6.622 1.00 0.00 H new ATOM 534 N LYS A 755 -3.698 1.725 1.009 1.00 0.00 N ATOM 535 CA LYS A 755 -5.017 1.408 1.541 1.00 0.00 C ATOM 536 C LYS A 755 -5.542 0.142 0.885 1.00 0.00 C ATOM 537 O LYS A 755 -5.760 0.112 -0.321 1.00 0.00 O ATOM 538 CB LYS A 755 -5.984 2.568 1.293 1.00 0.00 C ATOM 539 CG LYS A 755 -5.904 3.665 2.341 1.00 0.00 C ATOM 540 CD LYS A 755 -5.998 5.047 1.711 1.00 0.00 C ATOM 541 CE LYS A 755 -6.932 5.956 2.496 1.00 0.00 C ATOM 542 NZ LYS A 755 -6.459 6.166 3.892 1.00 0.00 N ATOM 0 H LYS A 755 -3.707 2.367 0.217 1.00 0.00 H new ATOM 0 HA LYS A 755 -4.936 1.248 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.777 2.998 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.002 2.180 1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.710 3.538 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -4.966 3.577 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.006 5.495 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.354 4.957 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.011 6.919 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.932 5.522 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -7.075 6.857 4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -6.488 5.263 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.483 6.525 3.878 1.00 0.00 H new ATOM 556 N VAL A 756 -5.721 -0.914 1.670 1.00 0.00 N ATOM 557 CA VAL A 756 -6.194 -2.179 1.125 1.00 0.00 C ATOM 558 C VAL A 756 -7.495 -2.639 1.764 1.00 0.00 C ATOM 559 O VAL A 756 -7.654 -2.609 2.985 1.00 0.00 O ATOM 560 CB VAL A 756 -5.137 -3.285 1.288 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.575 -4.560 0.581 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.799 -2.808 0.755 1.00 0.00 C ATOM 0 H VAL A 756 -5.548 -0.920 2.675 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.378 -1.999 0.066 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.030 -3.510 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.812 -5.328 0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.516 -4.908 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.711 -4.358 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.057 -3.598 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.896 -2.559 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.481 -1.924 1.308 1.00 0.00 H new ATOM 572 N CYS A 757 -8.414 -3.081 0.916 1.00 0.00 N ATOM 573 CA CYS A 757 -9.707 -3.577 1.363 1.00 0.00 C ATOM 574 C CYS A 757 -9.565 -5.000 1.908 1.00 0.00 C ATOM 575 O CYS A 757 -8.957 -5.857 1.266 1.00 0.00 O ATOM 576 CB CYS A 757 -10.704 -3.547 0.204 1.00 0.00 C ATOM 577 SG CYS A 757 -12.384 -4.037 0.655 1.00 0.00 S ATOM 0 H CYS A 757 -8.285 -3.106 -0.095 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.078 -2.935 2.162 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.731 -2.539 -0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.345 -4.207 -0.586 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.658 -5.189 0.119 1.00 0.00 H new ATOM 582 N PRO A 758 -10.104 -5.269 3.110 1.00 0.00 N ATOM 583 CA PRO A 758 -10.012 -6.586 3.741 1.00 0.00 C ATOM 584 C PRO A 758 -11.119 -7.546 3.312 1.00 0.00 C ATOM 585 O PRO A 758 -11.097 -8.724 3.671 1.00 0.00 O ATOM 586 CB PRO A 758 -10.147 -6.248 5.221 1.00 0.00 C ATOM 587 CG PRO A 758 -11.054 -5.063 5.254 1.00 0.00 C ATOM 588 CD PRO A 758 -10.831 -4.308 3.963 1.00 0.00 C ATOM 0 HA PRO A 758 -9.092 -7.104 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.565 -7.084 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -9.179 -6.019 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -12.095 -5.375 5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.834 -4.431 6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.775 -4.005 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.250 -3.400 4.126 1.00 0.00 H new ATOM 596 N MET A 759 -12.090 -7.047 2.555 1.00 0.00 N ATOM 597 CA MET A 759 -13.199 -7.880 2.103 1.00 0.00 C ATOM 598 C MET A 759 -12.862 -8.600 0.800 1.00 0.00 C ATOM 599 O MET A 759 -13.401 -9.669 0.515 1.00 0.00 O ATOM 600 CB MET A 759 -14.453 -7.028 1.922 1.00 0.00 C ATOM 601 CG MET A 759 -14.887 -6.320 3.194 1.00 0.00 C ATOM 602 SD MET A 759 -16.235 -7.169 4.039 1.00 0.00 S ATOM 603 CE MET A 759 -15.849 -6.794 5.747 1.00 0.00 C ATOM 0 H MET A 759 -12.132 -6.077 2.243 1.00 0.00 H new ATOM 0 HA MET A 759 -13.383 -8.637 2.866 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.270 -6.285 1.145 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.267 -7.662 1.571 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.035 -6.239 3.869 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.199 -5.304 2.951 1.00 0.00 H new ATOM 0 HE1 MET A 759 -15.566 -7.710 6.266 1.00 0.00 H new ATOM 0 HE2 MET A 759 -15.022 -6.084 5.786 1.00 0.00 H new ATOM 0 HE3 MET A 759 -16.724 -6.359 6.231 1.00 0.00 H new ATOM 613 N CYS A 760 -11.971 -8.010 0.010 1.00 0.00 N ATOM 614 CA CYS A 760 -11.572 -8.607 -1.263 1.00 0.00 C ATOM 615 C CYS A 760 -10.050 -8.647 -1.420 1.00 0.00 C ATOM 616 O CYS A 760 -9.523 -9.449 -2.191 1.00 0.00 O ATOM 617 CB CYS A 760 -12.192 -7.834 -2.425 1.00 0.00 C ATOM 618 SG CYS A 760 -11.529 -6.169 -2.632 1.00 0.00 S ATOM 0 H CYS A 760 -11.513 -7.124 0.225 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.937 -9.634 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.034 -8.394 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.269 -7.769 -2.272 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.394 -5.301 -2.199 1.00 0.00 H new ATOM 623 N SER A 761 -9.350 -7.774 -0.690 1.00 0.00 N ATOM 624 CA SER A 761 -7.887 -7.700 -0.744 1.00 0.00 C ATOM 625 C SER A 761 -7.419 -6.808 -1.892 1.00 0.00 C ATOM 626 O SER A 761 -6.395 -7.077 -2.521 1.00 0.00 O ATOM 627 CB SER A 761 -7.267 -9.096 -0.879 1.00 0.00 C ATOM 628 OG SER A 761 -6.097 -9.213 -0.088 1.00 0.00 O ATOM 0 H SER A 761 -9.777 -7.104 -0.050 1.00 0.00 H new ATOM 0 HA SER A 761 -7.551 -7.259 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.992 -9.850 -0.575 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.024 -9.290 -1.924 1.00 0.00 H new ATOM 0 HG SER A 761 -5.722 -10.112 -0.190 1.00 0.00 H new ATOM 634 N GLU A 762 -8.167 -5.739 -2.151 1.00 0.00 N ATOM 635 CA GLU A 762 -7.820 -4.798 -3.212 1.00 0.00 C ATOM 636 C GLU A 762 -6.813 -3.780 -2.705 1.00 0.00 C ATOM 637 O GLU A 762 -6.859 -3.385 -1.542 1.00 0.00 O ATOM 638 CB GLU A 762 -9.071 -4.079 -3.724 1.00 0.00 C ATOM 639 CG GLU A 762 -9.601 -4.637 -5.036 1.00 0.00 C ATOM 640 CD GLU A 762 -9.697 -3.583 -6.122 1.00 0.00 C ATOM 641 OE1 GLU A 762 -10.258 -2.500 -5.850 1.00 0.00 O ATOM 642 OE2 GLU A 762 -9.212 -3.840 -7.244 1.00 0.00 O ATOM 0 H GLU A 762 -9.018 -5.503 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.376 -5.359 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.853 -4.146 -2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -8.844 -3.021 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -8.949 -5.443 -5.374 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.586 -5.073 -4.870 1.00 0.00 H new ATOM 649 N GLN A 763 -5.905 -3.349 -3.575 1.00 0.00 N ATOM 650 CA GLN A 763 -4.906 -2.370 -3.176 1.00 0.00 C ATOM 651 C GLN A 763 -5.225 -1.001 -3.760 1.00 0.00 C ATOM 652 O GLN A 763 -5.487 -0.861 -4.955 1.00 0.00 O ATOM 653 CB GLN A 763 -3.514 -2.818 -3.628 1.00 0.00 C ATOM 654 CG GLN A 763 -2.712 -3.507 -2.537 1.00 0.00 C ATOM 655 CD GLN A 763 -1.246 -3.123 -2.560 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.380 -3.956 -2.830 1.00 0.00 O ATOM 657 NE2 GLN A 763 -0.958 -1.857 -2.275 1.00 0.00 N ATOM 0 H GLN A 763 -5.842 -3.657 -4.545 1.00 0.00 H new ATOM 0 HA GLN A 763 -4.921 -2.294 -2.089 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.617 -3.496 -4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -2.959 -1.949 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.135 -3.253 -1.565 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.803 -4.587 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.707 -1.200 -2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 763 0.012 -1.542 -2.274 1.00 0.00 H new ATOM 666 N PHE A 764 -5.186 0.003 -2.899 1.00 0.00 N ATOM 667 CA PHE A 764 -5.452 1.379 -3.294 1.00 0.00 C ATOM 668 C PHE A 764 -4.235 2.266 -3.033 1.00 0.00 C ATOM 669 O PHE A 764 -3.772 2.367 -1.894 1.00 0.00 O ATOM 670 CB PHE A 764 -6.670 1.919 -2.542 1.00 0.00 C ATOM 671 CG PHE A 764 -7.932 1.155 -2.826 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.250 0.019 -2.099 1.00 0.00 C ATOM 673 CD2 PHE A 764 -8.798 1.570 -3.824 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.407 -0.688 -2.362 1.00 0.00 C ATOM 675 CE2 PHE A 764 -9.958 0.868 -4.091 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.261 -0.264 -3.358 1.00 0.00 C ATOM 0 H PHE A 764 -4.970 -0.111 -1.909 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.661 1.392 -4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.469 1.890 -1.471 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -6.819 2.965 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.585 -0.318 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.564 2.453 -4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.643 -1.572 -1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.626 1.203 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.166 -0.816 -3.565 1.00 0.00 H new ATOM 686 N PRO A 765 -3.696 2.928 -4.072 1.00 0.00 N ATOM 687 CA PRO A 765 -2.531 3.806 -3.920 1.00 0.00 C ATOM 688 C PRO A 765 -2.794 4.932 -2.924 1.00 0.00 C ATOM 689 O PRO A 765 -3.944 5.286 -2.665 1.00 0.00 O ATOM 690 CB PRO A 765 -2.317 4.376 -5.326 1.00 0.00 C ATOM 691 CG PRO A 765 -2.995 3.411 -6.237 1.00 0.00 C ATOM 692 CD PRO A 765 -4.170 2.880 -5.467 1.00 0.00 C ATOM 0 HA PRO A 765 -1.664 3.270 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -2.746 5.374 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.256 4.462 -5.560 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.318 3.901 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.320 2.605 -6.526 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.059 3.493 -5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.428 1.866 -5.772 1.00 0.00 H new ATOM 700 N PRO A 766 -1.727 5.511 -2.349 1.00 0.00 N ATOM 701 CA PRO A 766 -1.850 6.601 -1.376 1.00 0.00 C ATOM 702 C PRO A 766 -2.492 7.847 -1.981 1.00 0.00 C ATOM 703 O PRO A 766 -3.074 8.665 -1.268 1.00 0.00 O ATOM 704 CB PRO A 766 -0.403 6.889 -0.963 1.00 0.00 C ATOM 705 CG PRO A 766 0.431 6.336 -2.067 1.00 0.00 C ATOM 706 CD PRO A 766 -0.322 5.153 -2.600 1.00 0.00 C ATOM 0 HA PRO A 766 -2.493 6.325 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.234 7.959 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.162 6.415 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.590 7.081 -2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.415 6.041 -1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.129 4.997 -3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.043 4.233 -2.087 1.00 0.00 H new ATOM 714 N ASP A 767 -2.384 7.983 -3.299 1.00 0.00 N ATOM 715 CA ASP A 767 -2.960 9.127 -3.998 1.00 0.00 C ATOM 716 C ASP A 767 -4.451 8.920 -4.257 1.00 0.00 C ATOM 717 O ASP A 767 -5.160 9.855 -4.632 1.00 0.00 O ATOM 718 CB ASP A 767 -2.230 9.363 -5.322 1.00 0.00 C ATOM 719 CG ASP A 767 -0.835 9.921 -5.123 1.00 0.00 C ATOM 720 OD1 ASP A 767 -0.698 10.936 -4.409 1.00 0.00 O ATOM 721 OD2 ASP A 767 0.121 9.344 -5.683 1.00 0.00 O ATOM 0 H ASP A 767 -1.904 7.317 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 767 -2.840 10.004 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.167 8.424 -5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -2.810 10.053 -5.935 1.00 0.00 H new ATOM 726 N TYR A 768 -4.924 7.692 -4.054 1.00 0.00 N ATOM 727 CA TYR A 768 -6.330 7.369 -4.266 1.00 0.00 C ATOM 728 C TYR A 768 -7.219 8.171 -3.323 1.00 0.00 C ATOM 729 O TYR A 768 -6.766 8.647 -2.281 1.00 0.00 O ATOM 730 CB TYR A 768 -6.568 5.873 -4.056 1.00 0.00 C ATOM 731 CG TYR A 768 -7.621 5.292 -4.972 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.353 5.066 -6.316 1.00 0.00 C ATOM 733 CD2 TYR A 768 -8.884 4.967 -4.491 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.313 4.534 -7.156 1.00 0.00 C ATOM 735 CE2 TYR A 768 -9.849 4.434 -5.323 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.559 4.220 -6.655 1.00 0.00 C ATOM 737 OH TYR A 768 -10.518 3.690 -7.487 1.00 0.00 O ATOM 0 H TYR A 768 -4.353 6.906 -3.743 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.587 7.631 -5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.630 5.339 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -6.865 5.703 -3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.378 5.310 -6.711 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.115 5.134 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.089 4.365 -8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -10.825 4.186 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.338 3.525 -6.977 1.00 0.00 H new ATOM 747 N ASP A 769 -8.487 8.313 -3.690 1.00 0.00 N ATOM 748 CA ASP A 769 -9.441 9.052 -2.873 1.00 0.00 C ATOM 749 C ASP A 769 -10.047 8.149 -1.804 1.00 0.00 C ATOM 750 O ASP A 769 -10.634 7.113 -2.115 1.00 0.00 O ATOM 751 CB ASP A 769 -10.547 9.643 -3.749 1.00 0.00 C ATOM 752 CG ASP A 769 -10.879 11.074 -3.374 1.00 0.00 C ATOM 753 OD1 ASP A 769 -11.114 11.334 -2.176 1.00 0.00 O ATOM 754 OD2 ASP A 769 -10.905 11.934 -4.280 1.00 0.00 O ATOM 0 H ASP A 769 -8.878 7.926 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 769 -8.909 9.866 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.238 9.606 -4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.444 9.030 -3.660 1.00 0.00 H new ATOM 759 N GLN A 770 -9.898 8.545 -0.545 1.00 0.00 N ATOM 760 CA GLN A 770 -10.429 7.767 0.569 1.00 0.00 C ATOM 761 C GLN A 770 -11.928 7.534 0.407 1.00 0.00 C ATOM 762 O GLN A 770 -12.446 6.484 0.786 1.00 0.00 O ATOM 763 CB GLN A 770 -10.153 8.479 1.895 1.00 0.00 C ATOM 764 CG GLN A 770 -10.639 7.708 3.112 1.00 0.00 C ATOM 765 CD GLN A 770 -9.501 7.135 3.934 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.580 7.852 4.326 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.559 5.835 4.198 1.00 0.00 N ATOM 0 H GLN A 770 -9.414 9.400 -0.270 1.00 0.00 H new ATOM 0 HA GLN A 770 -9.928 6.799 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.081 8.652 1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.633 9.457 1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.239 8.368 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.291 6.897 2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.341 5.279 3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -8.821 5.392 4.746 1.00 0.00 H new ATOM 776 N GLN A 771 -12.619 8.517 -0.162 1.00 0.00 N ATOM 777 CA GLN A 771 -14.056 8.410 -0.377 1.00 0.00 C ATOM 778 C GLN A 771 -14.376 7.228 -1.283 1.00 0.00 C ATOM 779 O GLN A 771 -15.279 6.438 -0.999 1.00 0.00 O ATOM 780 CB GLN A 771 -14.600 9.701 -0.994 1.00 0.00 C ATOM 781 CG GLN A 771 -14.935 10.771 0.033 1.00 0.00 C ATOM 782 CD GLN A 771 -15.069 12.149 -0.586 1.00 0.00 C ATOM 783 OE1 GLN A 771 -15.956 12.390 -1.406 1.00 0.00 O ATOM 784 NE2 GLN A 771 -14.187 13.062 -0.196 1.00 0.00 N ATOM 0 H GLN A 771 -12.207 9.394 -0.481 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.534 8.250 0.589 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -13.864 10.098 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.495 9.469 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -15.867 10.509 0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -14.157 10.793 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -13.469 12.819 0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -14.228 14.007 -0.578 1.00 0.00 H new ATOM 793 N VAL A 772 -13.620 7.104 -2.370 1.00 0.00 N ATOM 794 CA VAL A 772 -13.814 6.012 -3.312 1.00 0.00 C ATOM 795 C VAL A 772 -13.478 4.677 -2.660 1.00 0.00 C ATOM 796 O VAL A 772 -14.184 3.685 -2.850 1.00 0.00 O ATOM 797 CB VAL A 772 -12.947 6.191 -4.573 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.275 5.123 -5.606 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.135 7.583 -5.158 1.00 0.00 C ATOM 0 H VAL A 772 -12.868 7.747 -2.618 1.00 0.00 H new ATOM 0 HA VAL A 772 -14.863 6.023 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 772 -11.901 6.079 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.652 5.267 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.083 4.137 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.325 5.199 -5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.515 7.691 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.182 7.727 -5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -12.843 8.330 -4.420 1.00 0.00 H new ATOM 809 N PHE A 773 -12.400 4.662 -1.882 1.00 0.00 N ATOM 810 CA PHE A 773 -11.977 3.451 -1.192 1.00 0.00 C ATOM 811 C PHE A 773 -13.036 3.018 -0.185 1.00 0.00 C ATOM 812 O PHE A 773 -13.477 1.868 -0.190 1.00 0.00 O ATOM 813 CB PHE A 773 -10.640 3.681 -0.481 1.00 0.00 C ATOM 814 CG PHE A 773 -10.255 2.564 0.448 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.270 1.246 0.015 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.887 2.832 1.756 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.923 0.219 0.872 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.540 1.808 2.617 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.558 0.500 2.173 1.00 0.00 C ATOM 0 H PHE A 773 -11.805 5.474 -1.715 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.850 2.660 -1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.857 3.807 -1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.694 4.611 0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.556 1.020 -1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.871 3.853 2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.937 -0.803 0.524 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.255 2.030 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.287 -0.302 2.843 1.00 0.00 H new ATOM 829 N GLU A 774 -13.445 3.948 0.674 1.00 0.00 N ATOM 830 CA GLU A 774 -14.458 3.661 1.682 1.00 0.00 C ATOM 831 C GLU A 774 -15.719 3.114 1.023 1.00 0.00 C ATOM 832 O GLU A 774 -16.360 2.201 1.543 1.00 0.00 O ATOM 833 CB GLU A 774 -14.789 4.922 2.481 1.00 0.00 C ATOM 834 CG GLU A 774 -13.897 5.123 3.697 1.00 0.00 C ATOM 835 CD GLU A 774 -14.650 4.972 5.004 1.00 0.00 C ATOM 836 OE1 GLU A 774 -15.687 4.275 5.016 1.00 0.00 O ATOM 837 OE2 GLU A 774 -14.203 5.551 6.017 1.00 0.00 O ATOM 0 H GLU A 774 -13.091 4.904 0.691 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.062 2.909 2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.700 5.790 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.828 4.874 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.080 4.402 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.448 6.115 3.653 1.00 0.00 H new ATOM 844 N ARG A 775 -16.060 3.673 -0.134 1.00 0.00 N ATOM 845 CA ARG A 775 -17.233 3.235 -0.878 1.00 0.00 C ATOM 846 C ARG A 775 -17.059 1.789 -1.328 1.00 0.00 C ATOM 847 O ARG A 775 -17.993 0.989 -1.272 1.00 0.00 O ATOM 848 CB ARG A 775 -17.454 4.139 -2.093 1.00 0.00 C ATOM 849 CG ARG A 775 -18.540 5.181 -1.888 1.00 0.00 C ATOM 850 CD ARG A 775 -19.885 4.687 -2.391 1.00 0.00 C ATOM 851 NE ARG A 775 -20.864 5.766 -2.493 1.00 0.00 N ATOM 852 CZ ARG A 775 -22.123 5.591 -2.886 1.00 0.00 C ATOM 853 NH1 ARG A 775 -22.561 4.382 -3.214 1.00 0.00 N ATOM 854 NH2 ARG A 775 -22.948 6.628 -2.951 1.00 0.00 N ATOM 0 H ARG A 775 -15.539 4.431 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.105 3.299 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -16.519 4.644 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.713 3.521 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -18.614 5.428 -0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -18.269 6.098 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -19.757 4.221 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -20.263 3.918 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 775 -20.565 6.710 -2.248 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -21.931 3.581 -3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -23.527 4.254 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -22.617 7.560 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -23.913 6.494 -3.252 1.00 0.00 H new ATOM 868 N HIS A 776 -15.849 1.465 -1.773 1.00 0.00 N ATOM 869 CA HIS A 776 -15.530 0.120 -2.233 1.00 0.00 C ATOM 870 C HIS A 776 -15.546 -0.869 -1.071 1.00 0.00 C ATOM 871 O HIS A 776 -16.140 -1.941 -1.165 1.00 0.00 O ATOM 872 CB HIS A 776 -14.162 0.115 -2.921 1.00 0.00 C ATOM 873 CG HIS A 776 -13.484 -1.221 -2.931 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.500 -2.082 -4.005 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.750 -1.837 -1.968 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.791 -3.167 -3.668 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.315 -3.065 -2.445 1.00 0.00 N ATOM 0 H HIS A 776 -15.070 2.121 -1.824 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.289 -0.191 -2.951 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.284 0.456 -3.949 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.514 0.835 -2.421 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -13.968 -1.922 -4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.539 -1.435 -0.988 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.631 -4.016 -4.316 1.00 0.00 H new ATOM 885 N VAL A 777 -14.894 -0.505 0.027 1.00 0.00 N ATOM 886 CA VAL A 777 -14.858 -1.377 1.194 1.00 0.00 C ATOM 887 C VAL A 777 -16.259 -1.525 1.768 1.00 0.00 C ATOM 888 O VAL A 777 -16.680 -2.622 2.139 1.00 0.00 O ATOM 889 CB VAL A 777 -13.914 -0.857 2.297 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.397 -2.015 3.136 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.755 -0.073 1.707 1.00 0.00 C ATOM 0 H VAL A 777 -14.390 0.375 0.134 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.475 -2.341 0.859 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.483 -0.182 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.732 -1.634 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.237 -2.531 3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.851 -2.711 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.108 0.280 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.184 -0.716 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.140 0.781 1.149 1.00 0.00 H new ATOM 901 N GLN A 778 -16.987 -0.414 1.814 1.00 0.00 N ATOM 902 CA GLN A 778 -18.354 -0.413 2.314 1.00 0.00 C ATOM 903 C GLN A 778 -19.236 -1.263 1.408 1.00 0.00 C ATOM 904 O GLN A 778 -20.203 -1.878 1.858 1.00 0.00 O ATOM 905 CB GLN A 778 -18.898 1.016 2.384 1.00 0.00 C ATOM 906 CG GLN A 778 -18.398 1.800 3.586 1.00 0.00 C ATOM 907 CD GLN A 778 -18.989 1.302 4.890 1.00 0.00 C ATOM 908 OE1 GLN A 778 -20.179 0.997 4.970 1.00 0.00 O ATOM 909 NE2 GLN A 778 -18.158 1.217 5.922 1.00 0.00 N ATOM 0 H GLN A 778 -16.650 0.499 1.510 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.359 -0.835 3.319 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.620 1.547 1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.987 0.980 2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.311 1.732 3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.646 2.854 3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -17.179 1.480 5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.499 0.888 6.825 1.00 0.00 H new ATOM 918 N THR A 779 -18.881 -1.299 0.126 1.00 0.00 N ATOM 919 CA THR A 779 -19.619 -2.080 -0.855 1.00 0.00 C ATOM 920 C THR A 779 -19.625 -3.556 -0.465 1.00 0.00 C ATOM 921 O THR A 779 -20.534 -4.303 -0.827 1.00 0.00 O ATOM 922 CB THR A 779 -19.003 -1.887 -2.247 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.261 -0.581 -2.728 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.511 -2.861 -3.286 1.00 0.00 C ATOM 0 H THR A 779 -18.082 -0.793 -0.256 1.00 0.00 H new ATOM 0 HA THR A 779 -20.652 -1.733 -0.881 1.00 0.00 H new ATOM 0 HB THR A 779 -17.936 -2.064 -2.108 1.00 0.00 H new ATOM 0 HG1 THR A 779 -19.185 0.060 -1.991 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.028 -2.659 -4.242 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.283 -3.880 -2.972 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.590 -2.748 -3.394 1.00 0.00 H new ATOM 932 N HIS A 780 -18.606 -3.963 0.285 1.00 0.00 N ATOM 933 CA HIS A 780 -18.490 -5.342 0.739 1.00 0.00 C ATOM 934 C HIS A 780 -19.281 -5.556 2.025 1.00 0.00 C ATOM 935 O HIS A 780 -19.781 -6.650 2.286 1.00 0.00 O ATOM 936 CB HIS A 780 -17.021 -5.697 0.972 1.00 0.00 C ATOM 937 CG HIS A 780 -16.192 -5.657 -0.272 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.223 -6.631 -1.245 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.292 -4.731 -0.697 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.363 -6.278 -2.208 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.773 -5.132 -1.924 1.00 0.00 N ATOM 0 H HIS A 780 -17.847 -3.354 0.591 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.900 -5.992 -0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.600 -5.006 1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.961 -6.695 1.407 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.799 -7.473 -1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.023 -3.829 -0.167 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.176 -6.856 -3.101 1.00 0.00 H new ATOM 949 N PHE A 781 -19.392 -4.499 2.827 1.00 0.00 N ATOM 950 CA PHE A 781 -20.121 -4.566 4.087 1.00 0.00 C ATOM 951 C PHE A 781 -21.624 -4.681 3.843 1.00 0.00 C ATOM 952 O PHE A 781 -22.353 -5.240 4.662 1.00 0.00 O ATOM 953 CB PHE A 781 -19.823 -3.327 4.939 1.00 0.00 C ATOM 954 CG PHE A 781 -18.354 -3.044 5.120 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.401 -4.026 4.885 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.929 -1.791 5.529 1.00 0.00 C ATOM 957 CE1 PHE A 781 -16.055 -3.758 5.054 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.585 -1.519 5.699 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.647 -2.504 5.461 1.00 0.00 C ATOM 0 H PHE A 781 -18.985 -3.586 2.624 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.790 -5.456 4.622 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.295 -2.460 4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -20.281 -3.455 5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.714 -5.009 4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.658 -1.016 5.718 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.323 -4.530 4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -16.268 -0.537 6.018 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.596 -2.293 5.593 1.00 0.00 H new ATOM 969 N ASP A 782 -22.078 -4.154 2.711 1.00 0.00 N ATOM 970 CA ASP A 782 -23.494 -4.201 2.361 1.00 0.00 C ATOM 971 C ASP A 782 -23.831 -5.489 1.614 1.00 0.00 C ATOM 972 O ASP A 782 -24.986 -5.917 1.586 1.00 0.00 O ATOM 973 CB ASP A 782 -23.871 -2.991 1.506 1.00 0.00 C ATOM 974 CG ASP A 782 -24.169 -1.762 2.342 1.00 0.00 C ATOM 975 OD1 ASP A 782 -24.806 -1.909 3.407 1.00 0.00 O ATOM 976 OD2 ASP A 782 -23.768 -0.653 1.931 1.00 0.00 O ATOM 0 H ASP A 782 -21.488 -3.690 2.021 1.00 0.00 H new ATOM 0 HA ASP A 782 -24.069 -4.178 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.057 -2.769 0.816 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.744 -3.235 0.900 1.00 0.00 H new