USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=19 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= -5.74! USER MOD Set 1.2: A 760 CYS SG : rot -109:sc= -2.21 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -1.98 K(o=-13,f=-18) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -3.56 K(o=-13,f=-15!) USER MOD Set 2.1: A 730 CYS SG : rot -125:sc= -4.95! USER MOD Set 2.2: A 733 CYS SG : rot 12:sc= -1.31 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.36 K(o=-14,f=-19!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -3.23 K(o=-14,f=-18!) USER MOD Set 3.1: A 729 LYS NZ :NH3+ -123:sc= 0.27 (180deg=0.219) USER MOD Set 3.2: A 736 MET CE :methyl 180:sc= -0.0398 (180deg=0) USER MOD Single : A 727 HIS : no HE2:sc= -5.11! C(o=-5.1!,f=-3.7!) USER MOD Single : A 728 LYS NZ :NH3+ 169:sc= 0.418 (180deg=0.123) USER MOD Single : A 740 ASN : amide:sc= -0.967 K(o=-0.97,f=-3.9!) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.0636 USER MOD Single : A 743 GLN : amide:sc= -0.661 K(o=-0.66,f=-0.081) USER MOD Single : A 744 SER OG : rot 180:sc= -0.0357 USER MOD Single : A 745 LYS NZ :NH3+ 169:sc= -0.0176 (180deg=-0.238) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 755 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 759 MET CE :methyl -158:sc= -0.835 (180deg=-2.62!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -10.2! C(o=-10!,f=-22!) USER MOD Single : A 768 TYR OH : rot 165:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -2.42 K(o=-2.4,f=-0.57) USER MOD Single : A 771 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.6!) USER MOD Single : A 778 GLN : amide:sc= -3.36 K(o=-3.4,f=-1.6) USER MOD Single : A 779 THR OG1 : rot 49:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.638 2.973 -1.158 1.00 0.00 N ATOM 74 CA HIS A 727 19.550 2.494 -0.311 1.00 0.00 C ATOM 75 C HIS A 727 18.192 2.805 -0.932 1.00 0.00 C ATOM 76 O HIS A 727 17.996 3.867 -1.523 1.00 0.00 O ATOM 77 CB HIS A 727 19.639 3.130 1.078 1.00 0.00 C ATOM 78 CG HIS A 727 20.528 2.383 2.022 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.048 2.944 3.169 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.989 1.112 1.984 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.792 2.048 3.795 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.773 0.928 3.097 1.00 0.00 N ATOM 0 HA HIS A 727 19.649 1.412 -0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.006 4.152 0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.638 3.191 1.506 1.00 0.00 H new ATOM 0 HD1 HIS A 727 20.884 3.900 3.485 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.780 0.378 1.220 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.325 2.206 4.721 1.00 0.00 H new ATOM 91 N LYS A 728 17.255 1.872 -0.787 1.00 0.00 N ATOM 92 CA LYS A 728 15.912 2.045 -1.326 1.00 0.00 C ATOM 93 C LYS A 728 15.032 2.814 -0.345 1.00 0.00 C ATOM 94 O LYS A 728 14.938 2.456 0.829 1.00 0.00 O ATOM 95 CB LYS A 728 15.282 0.683 -1.630 1.00 0.00 C ATOM 96 CG LYS A 728 15.586 0.166 -3.026 1.00 0.00 C ATOM 97 CD LYS A 728 14.721 -1.035 -3.374 1.00 0.00 C ATOM 98 CE LYS A 728 14.321 -1.031 -4.840 1.00 0.00 C ATOM 99 NZ LYS A 728 13.160 -1.926 -5.102 1.00 0.00 N ATOM 0 H LYS A 728 17.403 0.988 -0.300 1.00 0.00 H new ATOM 0 HA LYS A 728 15.988 2.618 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.637 -0.043 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.201 0.757 -1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.419 0.960 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.638 -0.110 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 728 15.264 -1.953 -3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 728 13.826 -1.032 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 728 14.072 -0.015 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 728 15.168 -1.348 -5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 12.801 -1.757 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 13.460 -2.918 -5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 12.407 -1.729 -4.412 1.00 0.00 H new ATOM 113 N LYS A 729 14.389 3.871 -0.831 1.00 0.00 N ATOM 114 CA LYS A 729 13.518 4.688 0.006 1.00 0.00 C ATOM 115 C LYS A 729 12.073 4.624 -0.483 1.00 0.00 C ATOM 116 O LYS A 729 11.779 4.969 -1.627 1.00 0.00 O ATOM 117 CB LYS A 729 14.003 6.141 0.021 1.00 0.00 C ATOM 118 CG LYS A 729 14.879 6.479 1.216 1.00 0.00 C ATOM 119 CD LYS A 729 14.047 6.908 2.414 1.00 0.00 C ATOM 120 CE LYS A 729 14.815 7.865 3.311 1.00 0.00 C ATOM 121 NZ LYS A 729 15.575 7.146 4.370 1.00 0.00 N ATOM 0 H LYS A 729 14.455 4.182 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 729 13.555 4.291 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 729 14.560 6.338 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.138 6.804 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 729 15.482 5.611 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 729 15.570 7.278 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 729 13.131 7.387 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 729 13.751 6.029 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 729 15.504 8.455 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.120 8.564 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 15.284 7.496 5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 15.380 6.126 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 16.593 7.312 4.240 1.00 0.00 H new ATOM 135 N CYS A 730 11.179 4.179 0.395 1.00 0.00 N ATOM 136 CA CYS A 730 9.763 4.067 0.060 1.00 0.00 C ATOM 137 C CYS A 730 9.093 5.442 0.077 1.00 0.00 C ATOM 138 O CYS A 730 9.397 6.277 0.929 1.00 0.00 O ATOM 139 CB CYS A 730 9.068 3.113 1.041 1.00 0.00 C ATOM 140 SG CYS A 730 7.260 3.155 0.987 1.00 0.00 S ATOM 0 H CYS A 730 11.411 3.890 1.345 1.00 0.00 H new ATOM 0 HA CYS A 730 9.672 3.662 -0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.400 2.096 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.393 3.355 2.053 1.00 0.00 H new ATOM 0 HG CYS A 730 6.796 3.398 2.177 1.00 0.00 H new ATOM 145 N PRO A 731 8.175 5.701 -0.874 1.00 0.00 N ATOM 146 CA PRO A 731 7.473 6.982 -0.968 1.00 0.00 C ATOM 147 C PRO A 731 6.266 7.083 -0.036 1.00 0.00 C ATOM 148 O PRO A 731 5.320 7.818 -0.317 1.00 0.00 O ATOM 149 CB PRO A 731 7.014 7.009 -2.423 1.00 0.00 C ATOM 150 CG PRO A 731 6.801 5.577 -2.783 1.00 0.00 C ATOM 151 CD PRO A 731 7.758 4.769 -1.942 1.00 0.00 C ATOM 0 HA PRO A 731 8.115 7.813 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.096 7.586 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.764 7.471 -3.066 1.00 0.00 H new ATOM 0 HG2 PRO A 731 5.770 5.279 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 731 6.987 5.414 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 731 7.276 3.882 -1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.611 4.426 -2.527 1.00 0.00 H new ATOM 159 N LEU A 732 6.296 6.343 1.068 1.00 0.00 N ATOM 160 CA LEU A 732 5.194 6.361 2.025 1.00 0.00 C ATOM 161 C LEU A 732 5.695 6.412 3.468 1.00 0.00 C ATOM 162 O LEU A 732 4.898 6.480 4.404 1.00 0.00 O ATOM 163 CB LEU A 732 4.314 5.128 1.827 1.00 0.00 C ATOM 164 CG LEU A 732 3.553 5.087 0.500 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.669 3.714 -0.143 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.092 5.453 0.715 1.00 0.00 C ATOM 0 H LEU A 732 7.067 5.726 1.322 1.00 0.00 H new ATOM 0 HA LEU A 732 4.612 7.264 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 732 4.939 4.238 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.594 5.078 2.644 1.00 0.00 H new ATOM 0 HG LEU A 732 3.998 5.819 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.121 3.706 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.719 3.488 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.251 2.962 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.564 5.419 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.637 4.744 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.026 6.458 1.131 1.00 0.00 H new ATOM 178 N CYS A 733 7.012 6.375 3.647 1.00 0.00 N ATOM 179 CA CYS A 733 7.603 6.414 4.977 1.00 0.00 C ATOM 180 C CYS A 733 8.997 7.033 4.930 1.00 0.00 C ATOM 181 O CYS A 733 9.397 7.605 3.916 1.00 0.00 O ATOM 182 CB CYS A 733 7.678 5.001 5.556 1.00 0.00 C ATOM 183 SG CYS A 733 8.749 3.885 4.622 1.00 0.00 S ATOM 0 H CYS A 733 7.689 6.318 2.886 1.00 0.00 H new ATOM 0 HA CYS A 733 6.973 7.031 5.617 1.00 0.00 H new ATOM 0 HB2 CYS A 733 8.037 5.058 6.584 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.673 4.580 5.592 1.00 0.00 H new ATOM 0 HG CYS A 733 9.453 4.570 3.771 1.00 0.00 H new ATOM 188 N GLU A 734 9.733 6.913 6.029 1.00 0.00 N ATOM 189 CA GLU A 734 11.083 7.456 6.106 1.00 0.00 C ATOM 190 C GLU A 734 12.076 6.377 6.522 1.00 0.00 C ATOM 191 O GLU A 734 12.938 6.604 7.371 1.00 0.00 O ATOM 192 CB GLU A 734 11.131 8.622 7.096 1.00 0.00 C ATOM 193 CG GLU A 734 10.185 9.758 6.742 1.00 0.00 C ATOM 194 CD GLU A 734 9.895 10.662 7.923 1.00 0.00 C ATOM 195 OE1 GLU A 734 9.962 10.178 9.072 1.00 0.00 O ATOM 196 OE2 GLU A 734 9.600 11.855 7.699 1.00 0.00 O ATOM 0 H GLU A 734 9.417 6.445 6.878 1.00 0.00 H new ATOM 0 HA GLU A 734 11.361 7.820 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.886 8.253 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.149 9.008 7.141 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.618 10.348 5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.249 9.344 6.368 1.00 0.00 H new ATOM 203 N LEU A 735 11.949 5.198 5.920 1.00 0.00 N ATOM 204 CA LEU A 735 12.835 4.083 6.232 1.00 0.00 C ATOM 205 C LEU A 735 13.818 3.829 5.094 1.00 0.00 C ATOM 206 O LEU A 735 13.490 4.015 3.922 1.00 0.00 O ATOM 207 CB LEU A 735 12.024 2.816 6.511 1.00 0.00 C ATOM 208 CG LEU A 735 12.473 2.023 7.740 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.342 2.871 8.996 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.664 0.741 7.872 1.00 0.00 C ATOM 0 H LEU A 735 11.242 4.991 5.215 1.00 0.00 H new ATOM 0 HA LEU A 735 13.401 4.347 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.977 3.092 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 735 12.079 2.167 5.637 1.00 0.00 H new ATOM 0 HG LEU A 735 13.522 1.754 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.665 2.292 9.861 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.965 3.760 8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.302 3.169 9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.997 0.190 8.751 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.607 0.987 7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.808 0.127 6.983 1.00 0.00 H new ATOM 222 N MET A 736 15.022 3.398 5.450 1.00 0.00 N ATOM 223 CA MET A 736 16.056 3.111 4.464 1.00 0.00 C ATOM 224 C MET A 736 16.274 1.606 4.340 1.00 0.00 C ATOM 225 O MET A 736 16.403 0.904 5.343 1.00 0.00 O ATOM 226 CB MET A 736 17.365 3.802 4.853 1.00 0.00 C ATOM 227 CG MET A 736 18.061 4.487 3.689 1.00 0.00 C ATOM 228 SD MET A 736 18.775 6.079 4.143 1.00 0.00 S ATOM 229 CE MET A 736 18.613 6.975 2.599 1.00 0.00 C ATOM 0 H MET A 736 15.307 3.239 6.417 1.00 0.00 H new ATOM 0 HA MET A 736 15.728 3.495 3.498 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.160 4.540 5.628 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.041 3.064 5.286 1.00 0.00 H new ATOM 0 HG2 MET A 736 18.848 3.836 3.308 1.00 0.00 H new ATOM 0 HG3 MET A 736 17.347 4.632 2.878 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.012 7.982 2.719 1.00 0.00 H new ATOM 0 HE2 MET A 736 19.167 6.456 1.817 1.00 0.00 H new ATOM 0 HE3 MET A 736 17.561 7.033 2.321 1.00 0.00 H new ATOM 239 N PHE A 737 16.312 1.115 3.106 1.00 0.00 N ATOM 240 CA PHE A 737 16.512 -0.308 2.859 1.00 0.00 C ATOM 241 C PHE A 737 17.889 -0.572 2.255 1.00 0.00 C ATOM 242 O PHE A 737 18.402 0.236 1.481 1.00 0.00 O ATOM 243 CB PHE A 737 15.416 -0.843 1.933 1.00 0.00 C ATOM 244 CG PHE A 737 14.052 -0.868 2.566 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.893 -1.256 3.889 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.930 -0.505 1.840 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.640 -1.279 4.472 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.676 -0.526 2.417 1.00 0.00 C ATOM 249 CZ PHE A 737 11.531 -0.913 3.735 1.00 0.00 C ATOM 0 H PHE A 737 16.207 1.680 2.263 1.00 0.00 H new ATOM 0 HA PHE A 737 16.456 -0.830 3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.379 -0.227 1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.679 -1.852 1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.758 -1.543 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.037 -0.202 0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.528 -1.583 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.810 -0.240 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.551 -0.929 4.189 1.00 0.00 H new ATOM 259 N PRO A 738 18.509 -1.714 2.605 1.00 0.00 N ATOM 260 CA PRO A 738 19.836 -2.083 2.096 1.00 0.00 C ATOM 261 C PRO A 738 19.828 -2.358 0.595 1.00 0.00 C ATOM 262 O PRO A 738 18.791 -2.694 0.022 1.00 0.00 O ATOM 263 CB PRO A 738 20.178 -3.359 2.871 1.00 0.00 C ATOM 264 CG PRO A 738 18.861 -3.917 3.289 1.00 0.00 C ATOM 265 CD PRO A 738 17.969 -2.732 3.525 1.00 0.00 C ATOM 0 HA PRO A 738 20.559 -1.279 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.727 -4.065 2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.807 -3.141 3.734 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.450 -4.568 2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 738 18.960 -4.518 4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.927 -2.962 3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.008 -2.399 4.562 1.00 0.00 H new ATOM 273 N PRO A 739 20.991 -2.219 -0.064 1.00 0.00 N ATOM 274 CA PRO A 739 21.116 -2.457 -1.507 1.00 0.00 C ATOM 275 C PRO A 739 20.773 -3.893 -1.886 1.00 0.00 C ATOM 276 O PRO A 739 20.375 -4.168 -3.018 1.00 0.00 O ATOM 277 CB PRO A 739 22.591 -2.162 -1.801 1.00 0.00 C ATOM 278 CG PRO A 739 23.279 -2.271 -0.483 1.00 0.00 C ATOM 279 CD PRO A 739 22.274 -1.828 0.541 1.00 0.00 C ATOM 0 HA PRO A 739 20.427 -1.836 -2.080 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.000 -2.873 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.716 -1.168 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.604 -3.294 -0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.170 -1.643 -0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.433 -2.318 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.326 -0.754 0.719 1.00 0.00 H new ATOM 287 N ASN A 740 20.926 -4.806 -0.931 1.00 0.00 N ATOM 288 CA ASN A 740 20.628 -6.215 -1.164 1.00 0.00 C ATOM 289 C ASN A 740 19.162 -6.528 -0.860 1.00 0.00 C ATOM 290 O ASN A 740 18.767 -7.692 -0.805 1.00 0.00 O ATOM 291 CB ASN A 740 21.535 -7.098 -0.306 1.00 0.00 C ATOM 292 CG ASN A 740 21.355 -6.839 1.178 1.00 0.00 C ATOM 293 OD1 ASN A 740 20.232 -6.798 1.680 1.00 0.00 O ATOM 294 ND2 ASN A 740 22.464 -6.663 1.887 1.00 0.00 N ATOM 0 H ASN A 740 21.255 -4.595 0.011 1.00 0.00 H new ATOM 0 HA ASN A 740 20.813 -6.426 -2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 740 21.324 -8.146 -0.518 1.00 0.00 H new ATOM 0 HB3 ASN A 740 22.575 -6.921 -0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 740 22.405 -6.485 2.890 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.374 -6.705 1.429 1.00 0.00 H new ATOM 301 N TYR A 741 18.362 -5.482 -0.660 1.00 0.00 N ATOM 302 CA TYR A 741 16.946 -5.648 -0.361 1.00 0.00 C ATOM 303 C TYR A 741 16.164 -6.028 -1.614 1.00 0.00 C ATOM 304 O TYR A 741 16.241 -5.347 -2.635 1.00 0.00 O ATOM 305 CB TYR A 741 16.383 -4.354 0.232 1.00 0.00 C ATOM 306 CG TYR A 741 15.073 -4.533 0.963 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.860 -4.414 0.295 1.00 0.00 C ATOM 308 CD2 TYR A 741 15.047 -4.818 2.323 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.661 -4.574 0.961 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.851 -4.979 2.996 1.00 0.00 C ATOM 311 CZ TYR A 741 12.661 -4.856 2.310 1.00 0.00 C ATOM 312 OH TYR A 741 11.467 -5.017 2.976 1.00 0.00 O ATOM 0 H TYR A 741 18.673 -4.511 -0.700 1.00 0.00 H new ATOM 0 HA TYR A 741 16.842 -6.454 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.116 -3.932 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.244 -3.629 -0.570 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.855 -4.193 -0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.977 -4.915 2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.727 -4.479 0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.848 -5.200 4.053 1.00 0.00 H new ATOM 0 HH TYR A 741 11.643 -5.212 3.920 1.00 0.00 H new ATOM 322 N ASP A 742 15.409 -7.118 -1.527 1.00 0.00 N ATOM 323 CA ASP A 742 14.610 -7.584 -2.655 1.00 0.00 C ATOM 324 C ASP A 742 13.477 -6.607 -2.950 1.00 0.00 C ATOM 325 O ASP A 742 12.759 -6.184 -2.044 1.00 0.00 O ATOM 326 CB ASP A 742 14.039 -8.973 -2.364 1.00 0.00 C ATOM 327 CG ASP A 742 13.950 -9.833 -3.609 1.00 0.00 C ATOM 328 OD1 ASP A 742 13.509 -9.318 -4.658 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.322 -11.023 -3.535 1.00 0.00 O ATOM 0 H ASP A 742 15.333 -7.694 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 742 15.256 -7.643 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.665 -9.473 -1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.047 -8.870 -1.925 1.00 0.00 H new ATOM 334 N GLN A 743 13.324 -6.247 -4.220 1.00 0.00 N ATOM 335 CA GLN A 743 12.278 -5.314 -4.621 1.00 0.00 C ATOM 336 C GLN A 743 10.899 -5.858 -4.273 1.00 0.00 C ATOM 337 O GLN A 743 9.984 -5.096 -3.963 1.00 0.00 O ATOM 338 CB GLN A 743 12.363 -5.019 -6.117 1.00 0.00 C ATOM 339 CG GLN A 743 12.121 -6.235 -6.997 1.00 0.00 C ATOM 340 CD GLN A 743 10.946 -6.052 -7.938 1.00 0.00 C ATOM 341 OE1 GLN A 743 11.021 -6.398 -9.117 1.00 0.00 O ATOM 342 NE2 GLN A 743 9.852 -5.504 -7.420 1.00 0.00 N ATOM 0 H GLN A 743 13.908 -6.585 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 743 12.431 -4.385 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 743 11.633 -4.249 -6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 743 13.348 -4.610 -6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 743 13.019 -6.441 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 743 11.943 -7.106 -6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 743 9.834 -5.232 -6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.030 -5.355 -8.005 1.00 0.00 H new ATOM 351 N SER A 744 10.753 -7.180 -4.314 1.00 0.00 N ATOM 352 CA SER A 744 9.480 -7.811 -3.986 1.00 0.00 C ATOM 353 C SER A 744 9.056 -7.426 -2.576 1.00 0.00 C ATOM 354 O SER A 744 7.910 -7.035 -2.338 1.00 0.00 O ATOM 355 CB SER A 744 9.590 -9.331 -4.104 1.00 0.00 C ATOM 356 OG SER A 744 10.926 -9.763 -3.913 1.00 0.00 O ATOM 0 H SER A 744 11.496 -7.830 -4.570 1.00 0.00 H new ATOM 0 HA SER A 744 8.726 -7.462 -4.692 1.00 0.00 H new ATOM 0 HB2 SER A 744 8.943 -9.804 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 744 9.239 -9.649 -5.086 1.00 0.00 H new ATOM 0 HG SER A 744 10.969 -10.739 -3.992 1.00 0.00 H new ATOM 362 N LYS A 745 9.999 -7.515 -1.645 1.00 0.00 N ATOM 363 CA LYS A 745 9.741 -7.155 -0.260 1.00 0.00 C ATOM 364 C LYS A 745 9.450 -5.666 -0.172 1.00 0.00 C ATOM 365 O LYS A 745 8.624 -5.224 0.626 1.00 0.00 O ATOM 366 CB LYS A 745 10.939 -7.516 0.620 1.00 0.00 C ATOM 367 CG LYS A 745 11.049 -9.003 0.914 1.00 0.00 C ATOM 368 CD LYS A 745 12.496 -9.469 0.900 1.00 0.00 C ATOM 369 CE LYS A 745 12.592 -10.985 0.837 1.00 0.00 C ATOM 370 NZ LYS A 745 13.648 -11.434 -0.111 1.00 0.00 N ATOM 0 H LYS A 745 10.950 -7.834 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 745 8.876 -7.713 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.854 -7.182 0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.865 -6.972 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.607 -9.216 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 745 10.478 -9.564 0.174 1.00 0.00 H new ATOM 0 HD2 LYS A 745 13.011 -9.035 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 745 13.004 -9.108 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.806 -11.377 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 745 11.630 -11.398 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 13.812 -12.454 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 13.342 -11.245 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 14.530 -10.917 0.081 1.00 0.00 H new ATOM 384 N PHE A 746 10.134 -4.898 -1.014 1.00 0.00 N ATOM 385 CA PHE A 746 9.952 -3.457 -1.055 1.00 0.00 C ATOM 386 C PHE A 746 8.545 -3.128 -1.534 1.00 0.00 C ATOM 387 O PHE A 746 7.899 -2.221 -1.014 1.00 0.00 O ATOM 388 CB PHE A 746 10.989 -2.816 -1.979 1.00 0.00 C ATOM 389 CG PHE A 746 10.930 -1.314 -1.998 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.032 -0.589 -0.822 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.771 -0.628 -3.191 1.00 0.00 C ATOM 392 CE1 PHE A 746 10.978 0.791 -0.834 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.716 0.752 -3.211 1.00 0.00 C ATOM 394 CZ PHE A 746 10.820 1.464 -2.032 1.00 0.00 C ATOM 0 H PHE A 746 10.821 -5.254 -1.678 1.00 0.00 H new ATOM 0 HA PHE A 746 10.089 -3.055 -0.051 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.985 -3.128 -1.666 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.842 -3.190 -2.992 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.155 -1.110 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.689 -1.179 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.059 1.344 0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.592 1.274 -4.148 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.778 2.543 -2.046 1.00 0.00 H new ATOM 404 N GLU A 747 8.072 -3.884 -2.521 1.00 0.00 N ATOM 405 CA GLU A 747 6.734 -3.685 -3.058 1.00 0.00 C ATOM 406 C GLU A 747 5.696 -3.913 -1.969 1.00 0.00 C ATOM 407 O GLU A 747 4.775 -3.116 -1.792 1.00 0.00 O ATOM 408 CB GLU A 747 6.482 -4.633 -4.232 1.00 0.00 C ATOM 409 CG GLU A 747 6.733 -3.999 -5.590 1.00 0.00 C ATOM 410 CD GLU A 747 5.561 -4.166 -6.537 1.00 0.00 C ATOM 411 OE1 GLU A 747 5.370 -5.287 -7.054 1.00 0.00 O ATOM 412 OE2 GLU A 747 4.834 -3.176 -6.764 1.00 0.00 O ATOM 0 H GLU A 747 8.597 -4.639 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 747 6.652 -2.659 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.122 -5.509 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.451 -4.985 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.940 -2.937 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.622 -4.445 -6.036 1.00 0.00 H new ATOM 419 N GLU A 748 5.864 -5.007 -1.236 1.00 0.00 N ATOM 420 CA GLU A 748 4.955 -5.349 -0.149 1.00 0.00 C ATOM 421 C GLU A 748 4.957 -4.259 0.914 1.00 0.00 C ATOM 422 O GLU A 748 3.910 -3.885 1.442 1.00 0.00 O ATOM 423 CB GLU A 748 5.361 -6.682 0.479 1.00 0.00 C ATOM 424 CG GLU A 748 4.710 -7.889 -0.176 1.00 0.00 C ATOM 425 CD GLU A 748 5.090 -9.192 0.498 1.00 0.00 C ATOM 426 OE1 GLU A 748 4.502 -9.509 1.553 1.00 0.00 O ATOM 427 OE2 GLU A 748 5.977 -9.896 -0.030 1.00 0.00 O ATOM 0 H GLU A 748 6.623 -5.674 -1.375 1.00 0.00 H new ATOM 0 HA GLU A 748 3.949 -5.438 -0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.444 -6.787 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.100 -6.669 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.627 -7.772 -0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.000 -7.929 -1.226 1.00 0.00 H new ATOM 434 N HIS A 749 6.145 -3.750 1.215 1.00 0.00 N ATOM 435 CA HIS A 749 6.300 -2.694 2.208 1.00 0.00 C ATOM 436 C HIS A 749 5.632 -1.416 1.719 1.00 0.00 C ATOM 437 O HIS A 749 4.835 -0.807 2.432 1.00 0.00 O ATOM 438 CB HIS A 749 7.791 -2.471 2.493 1.00 0.00 C ATOM 439 CG HIS A 749 8.138 -1.087 2.946 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.237 -0.713 4.267 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.431 0.020 2.220 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.580 0.581 4.301 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.710 1.071 3.084 1.00 0.00 N ATOM 0 H HIS A 749 7.018 -4.053 0.784 1.00 0.00 H new ATOM 0 HA HIS A 749 5.814 -2.990 3.138 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.112 -3.180 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.358 -2.697 1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.078 -1.314 5.076 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.445 0.076 1.142 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.730 1.149 5.207 1.00 0.00 H new ATOM 451 N VAL A 750 5.946 -1.028 0.490 1.00 0.00 N ATOM 452 CA VAL A 750 5.354 0.163 -0.101 1.00 0.00 C ATOM 453 C VAL A 750 3.837 0.005 -0.170 1.00 0.00 C ATOM 454 O VAL A 750 3.089 0.956 0.050 1.00 0.00 O ATOM 455 CB VAL A 750 5.910 0.429 -1.516 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.175 1.584 -2.185 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.406 0.709 -1.458 1.00 0.00 C ATOM 0 H VAL A 750 6.605 -1.519 -0.114 1.00 0.00 H new ATOM 0 HA VAL A 750 5.611 1.014 0.530 1.00 0.00 H new ATOM 0 HB VAL A 750 5.748 -0.466 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.587 1.750 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.115 1.342 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.296 2.487 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.781 0.894 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.588 1.585 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.921 -0.152 -1.032 1.00 0.00 H new ATOM 467 N GLU A 751 3.397 -1.214 -0.467 1.00 0.00 N ATOM 468 CA GLU A 751 1.974 -1.519 -0.556 1.00 0.00 C ATOM 469 C GLU A 751 1.335 -1.515 0.829 1.00 0.00 C ATOM 470 O GLU A 751 0.149 -1.225 0.976 1.00 0.00 O ATOM 471 CB GLU A 751 1.764 -2.879 -1.221 1.00 0.00 C ATOM 472 CG GLU A 751 1.878 -2.839 -2.737 1.00 0.00 C ATOM 473 CD GLU A 751 1.117 -3.963 -3.409 1.00 0.00 C ATOM 474 OE1 GLU A 751 1.068 -5.073 -2.837 1.00 0.00 O ATOM 475 OE2 GLU A 751 0.569 -3.735 -4.508 1.00 0.00 O ATOM 0 H GLU A 751 4.009 -2.009 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 751 1.497 -0.749 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.497 -3.583 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.779 -3.259 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.502 -1.883 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.929 -2.897 -3.020 1.00 0.00 H new ATOM 482 N SER A 752 2.131 -1.837 1.845 1.00 0.00 N ATOM 483 CA SER A 752 1.639 -1.866 3.218 1.00 0.00 C ATOM 484 C SER A 752 1.035 -0.518 3.595 1.00 0.00 C ATOM 485 O SER A 752 0.011 -0.451 4.276 1.00 0.00 O ATOM 486 CB SER A 752 2.772 -2.223 4.182 1.00 0.00 C ATOM 487 OG SER A 752 2.442 -3.361 4.958 1.00 0.00 O ATOM 0 H SER A 752 3.116 -2.081 1.744 1.00 0.00 H new ATOM 0 HA SER A 752 0.864 -2.629 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.685 -2.415 3.619 1.00 0.00 H new ATOM 0 HB3 SER A 752 2.975 -1.377 4.839 1.00 0.00 H new ATOM 0 HG SER A 752 3.183 -3.569 5.565 1.00 0.00 H new ATOM 493 N HIS A 753 1.680 0.553 3.146 1.00 0.00 N ATOM 494 CA HIS A 753 1.207 1.904 3.434 1.00 0.00 C ATOM 495 C HIS A 753 -0.043 2.239 2.621 1.00 0.00 C ATOM 496 O HIS A 753 -0.835 3.096 3.013 1.00 0.00 O ATOM 497 CB HIS A 753 2.300 2.930 3.134 1.00 0.00 C ATOM 498 CG HIS A 753 3.641 2.566 3.692 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.016 2.793 4.996 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.709 1.985 3.090 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.274 2.357 5.144 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.740 1.856 4.017 1.00 0.00 N ATOM 0 H HIS A 753 2.529 0.513 2.583 1.00 0.00 H new ATOM 0 HA HIS A 753 0.954 1.944 4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.387 3.049 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.999 3.896 3.538 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.439 3.218 5.722 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.753 1.673 2.057 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.834 2.409 6.066 1.00 0.00 H new ATOM 510 N TRP A 754 -0.214 1.562 1.489 1.00 0.00 N ATOM 511 CA TRP A 754 -1.369 1.799 0.628 1.00 0.00 C ATOM 512 C TRP A 754 -2.663 1.400 1.325 1.00 0.00 C ATOM 513 O TRP A 754 -2.650 0.658 2.307 1.00 0.00 O ATOM 514 CB TRP A 754 -1.238 1.010 -0.677 1.00 0.00 C ATOM 515 CG TRP A 754 -0.304 1.630 -1.667 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.798 2.384 -1.398 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.394 1.544 -3.092 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.402 2.771 -2.570 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.686 2.268 -3.624 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.286 0.923 -3.967 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.900 2.388 -4.996 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.077 1.042 -5.327 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.010 1.769 -5.830 1.00 0.00 C ATOM 0 H TRP A 754 0.429 0.848 1.147 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.400 2.866 0.407 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.893 0.002 -0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.223 0.913 -1.133 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.146 2.640 -0.408 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.246 3.340 -2.643 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.125 0.359 -3.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.737 2.948 -5.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.762 0.567 -6.014 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.148 1.842 -6.899 1.00 0.00 H new ATOM 534 N LYS A 755 -3.783 1.879 0.795 1.00 0.00 N ATOM 535 CA LYS A 755 -5.092 1.557 1.349 1.00 0.00 C ATOM 536 C LYS A 755 -5.587 0.247 0.751 1.00 0.00 C ATOM 537 O LYS A 755 -5.823 0.163 -0.449 1.00 0.00 O ATOM 538 CB LYS A 755 -6.086 2.683 1.053 1.00 0.00 C ATOM 539 CG LYS A 755 -6.064 3.803 2.082 1.00 0.00 C ATOM 540 CD LYS A 755 -5.946 5.170 1.424 1.00 0.00 C ATOM 541 CE LYS A 755 -6.490 6.272 2.320 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.544 7.416 2.430 1.00 0.00 N ATOM 0 H LYS A 755 -3.810 2.493 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.007 1.449 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.867 3.100 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.092 2.265 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.974 3.765 2.681 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.227 3.654 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -4.901 5.373 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.489 5.168 0.479 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.442 6.625 1.924 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -6.688 5.868 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -5.952 8.145 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.644 7.085 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.374 7.818 1.486 1.00 0.00 H new ATOM 556 N VAL A 756 -5.724 -0.783 1.580 1.00 0.00 N ATOM 557 CA VAL A 756 -6.170 -2.081 1.089 1.00 0.00 C ATOM 558 C VAL A 756 -7.460 -2.538 1.747 1.00 0.00 C ATOM 559 O VAL A 756 -7.612 -2.482 2.967 1.00 0.00 O ATOM 560 CB VAL A 756 -5.099 -3.167 1.302 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.506 -4.466 0.622 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.754 -2.692 0.783 1.00 0.00 C ATOM 0 H VAL A 756 -5.535 -0.746 2.582 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.348 -1.945 0.022 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.010 -3.357 2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.735 -5.219 0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.450 -4.816 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.625 -4.295 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.008 -3.471 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.831 -2.474 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.456 -1.790 1.317 1.00 0.00 H new ATOM 572 N CYS A 757 -8.378 -3.015 0.917 1.00 0.00 N ATOM 573 CA CYS A 757 -9.658 -3.518 1.391 1.00 0.00 C ATOM 574 C CYS A 757 -9.477 -4.909 1.998 1.00 0.00 C ATOM 575 O CYS A 757 -8.869 -5.784 1.382 1.00 0.00 O ATOM 576 CB CYS A 757 -10.657 -3.569 0.235 1.00 0.00 C ATOM 577 SG CYS A 757 -12.343 -3.996 0.732 1.00 0.00 S ATOM 0 H CYS A 757 -8.257 -3.064 -0.095 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.045 -2.848 2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.671 -2.599 -0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.311 -4.297 -0.498 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.636 -5.185 0.295 1.00 0.00 H new ATOM 582 N PRO A 758 -9.982 -5.132 3.224 1.00 0.00 N ATOM 583 CA PRO A 758 -9.847 -6.416 3.904 1.00 0.00 C ATOM 584 C PRO A 758 -10.947 -7.413 3.549 1.00 0.00 C ATOM 585 O PRO A 758 -10.885 -8.577 3.945 1.00 0.00 O ATOM 586 CB PRO A 758 -9.933 -6.019 5.375 1.00 0.00 C ATOM 587 CG PRO A 758 -10.830 -4.826 5.399 1.00 0.00 C ATOM 588 CD PRO A 758 -10.708 -4.151 4.051 1.00 0.00 C ATOM 0 HA PRO A 758 -8.928 -6.931 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.338 -6.830 5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.949 -5.781 5.778 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.861 -5.123 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.542 -4.144 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.687 -3.921 3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.163 -3.210 4.124 1.00 0.00 H new ATOM 596 N MET A 759 -11.957 -6.963 2.810 1.00 0.00 N ATOM 597 CA MET A 759 -13.057 -7.842 2.427 1.00 0.00 C ATOM 598 C MET A 759 -12.749 -8.593 1.132 1.00 0.00 C ATOM 599 O MET A 759 -13.268 -9.685 0.905 1.00 0.00 O ATOM 600 CB MET A 759 -14.351 -7.041 2.279 1.00 0.00 C ATOM 601 CG MET A 759 -14.900 -6.527 3.602 1.00 0.00 C ATOM 602 SD MET A 759 -15.136 -7.836 4.821 1.00 0.00 S ATOM 603 CE MET A 759 -15.004 -6.904 6.345 1.00 0.00 C ATOM 0 H MET A 759 -12.037 -6.006 2.468 1.00 0.00 H new ATOM 0 HA MET A 759 -13.184 -8.580 3.219 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.172 -6.195 1.616 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.104 -7.667 1.801 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.218 -5.779 4.007 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.852 -6.027 3.425 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.738 -7.576 7.161 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.234 -6.140 6.239 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.960 -6.428 6.564 1.00 0.00 H new ATOM 613 N CYS A 760 -11.905 -8.008 0.288 1.00 0.00 N ATOM 614 CA CYS A 760 -11.540 -8.642 -0.979 1.00 0.00 C ATOM 615 C CYS A 760 -10.024 -8.674 -1.184 1.00 0.00 C ATOM 616 O CYS A 760 -9.510 -9.536 -1.896 1.00 0.00 O ATOM 617 CB CYS A 760 -12.207 -7.917 -2.147 1.00 0.00 C ATOM 618 SG CYS A 760 -11.551 -6.265 -2.457 1.00 0.00 S ATOM 0 H CYS A 760 -11.463 -7.104 0.454 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.894 -9.672 -0.941 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.090 -8.518 -3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.277 -7.841 -1.951 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.432 -5.375 -2.106 1.00 0.00 H new ATOM 623 N SER A 761 -9.316 -7.729 -0.559 1.00 0.00 N ATOM 624 CA SER A 761 -7.856 -7.636 -0.667 1.00 0.00 C ATOM 625 C SER A 761 -7.439 -6.789 -1.867 1.00 0.00 C ATOM 626 O SER A 761 -6.484 -7.118 -2.569 1.00 0.00 O ATOM 627 CB SER A 761 -7.214 -9.026 -0.761 1.00 0.00 C ATOM 628 OG SER A 761 -6.007 -9.082 -0.023 1.00 0.00 O ATOM 0 H SER A 761 -9.735 -7.011 0.032 1.00 0.00 H new ATOM 0 HA SER A 761 -7.500 -7.149 0.241 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.909 -9.777 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.017 -9.269 -1.805 1.00 0.00 H new ATOM 0 HG SER A 761 -5.619 -9.979 -0.098 1.00 0.00 H new ATOM 634 N GLU A 762 -8.150 -5.687 -2.087 1.00 0.00 N ATOM 635 CA GLU A 762 -7.842 -4.783 -3.191 1.00 0.00 C ATOM 636 C GLU A 762 -6.820 -3.749 -2.750 1.00 0.00 C ATOM 637 O GLU A 762 -6.801 -3.350 -1.587 1.00 0.00 O ATOM 638 CB GLU A 762 -9.114 -4.085 -3.681 1.00 0.00 C ATOM 639 CG GLU A 762 -9.572 -4.542 -5.057 1.00 0.00 C ATOM 640 CD GLU A 762 -9.842 -6.033 -5.121 1.00 0.00 C ATOM 641 OE1 GLU A 762 -9.072 -6.804 -4.509 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.823 -6.430 -5.784 1.00 0.00 O ATOM 0 H GLU A 762 -8.944 -5.398 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.425 -5.367 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.915 -4.264 -2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -8.941 -3.009 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -10.478 -4.001 -5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -8.811 -4.283 -5.793 1.00 0.00 H new ATOM 649 N GLN A 763 -5.972 -3.309 -3.674 1.00 0.00 N ATOM 650 CA GLN A 763 -4.967 -2.314 -3.336 1.00 0.00 C ATOM 651 C GLN A 763 -5.341 -0.951 -3.904 1.00 0.00 C ATOM 652 O GLN A 763 -5.661 -0.819 -5.085 1.00 0.00 O ATOM 653 CB GLN A 763 -3.599 -2.744 -3.876 1.00 0.00 C ATOM 654 CG GLN A 763 -2.610 -3.143 -2.794 1.00 0.00 C ATOM 655 CD GLN A 763 -1.941 -1.948 -2.145 1.00 0.00 C ATOM 656 OE1 GLN A 763 -2.449 -1.391 -1.174 1.00 0.00 O ATOM 657 NE2 GLN A 763 -0.795 -1.545 -2.682 1.00 0.00 N ATOM 0 H GLN A 763 -5.961 -3.620 -4.645 1.00 0.00 H new ATOM 0 HA GLN A 763 -4.917 -2.235 -2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.736 -3.583 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.175 -1.926 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.128 -3.724 -2.030 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -1.847 -3.791 -3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -0.409 -2.037 -3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.301 -0.744 -2.288 1.00 0.00 H new ATOM 666 N PHE A 764 -5.280 0.057 -3.048 1.00 0.00 N ATOM 667 CA PHE A 764 -5.590 1.428 -3.437 1.00 0.00 C ATOM 668 C PHE A 764 -4.381 2.341 -3.235 1.00 0.00 C ATOM 669 O PHE A 764 -3.890 2.481 -2.114 1.00 0.00 O ATOM 670 CB PHE A 764 -6.784 1.950 -2.637 1.00 0.00 C ATOM 671 CG PHE A 764 -8.048 1.179 -2.886 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.351 0.055 -2.134 1.00 0.00 C ATOM 673 CD2 PHE A 764 -8.931 1.575 -3.877 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.511 -0.658 -2.365 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.094 0.867 -4.112 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.382 -0.252 -3.355 1.00 0.00 C ATOM 0 H PHE A 764 -5.016 -0.049 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.846 1.430 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.546 1.910 -1.574 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -6.950 2.998 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.672 -0.267 -1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.708 2.448 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.736 -1.532 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.776 1.188 -4.886 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.289 -0.809 -3.538 1.00 0.00 H new ATOM 686 N PRO A 765 -3.883 2.984 -4.306 1.00 0.00 N ATOM 687 CA PRO A 765 -2.732 3.887 -4.207 1.00 0.00 C ATOM 688 C PRO A 765 -2.994 5.036 -3.237 1.00 0.00 C ATOM 689 O PRO A 765 -4.144 5.385 -2.972 1.00 0.00 O ATOM 690 CB PRO A 765 -2.562 4.419 -5.635 1.00 0.00 C ATOM 691 CG PRO A 765 -3.246 3.418 -6.499 1.00 0.00 C ATOM 692 CD PRO A 765 -4.393 2.893 -5.685 1.00 0.00 C ATOM 0 HA PRO A 765 -1.846 3.380 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.009 5.407 -5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.509 4.515 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.599 3.875 -7.423 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.566 2.614 -6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.294 3.491 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.646 1.868 -5.956 1.00 0.00 H new ATOM 700 N PRO A 766 -1.926 5.638 -2.688 1.00 0.00 N ATOM 701 CA PRO A 766 -2.048 6.749 -1.739 1.00 0.00 C ATOM 702 C PRO A 766 -2.721 7.968 -2.360 1.00 0.00 C ATOM 703 O PRO A 766 -3.323 8.780 -1.657 1.00 0.00 O ATOM 704 CB PRO A 766 -0.598 7.068 -1.358 1.00 0.00 C ATOM 705 CG PRO A 766 0.233 6.481 -2.447 1.00 0.00 C ATOM 706 CD PRO A 766 -0.521 5.282 -2.946 1.00 0.00 C ATOM 0 HA PRO A 766 -2.671 6.484 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.440 8.144 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.341 6.636 -0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.392 7.203 -3.248 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.217 6.196 -2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.339 5.104 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.231 4.375 -2.416 1.00 0.00 H new ATOM 714 N ASP A 767 -2.619 8.089 -3.679 1.00 0.00 N ATOM 715 CA ASP A 767 -3.225 9.209 -4.391 1.00 0.00 C ATOM 716 C ASP A 767 -4.711 8.959 -4.648 1.00 0.00 C ATOM 717 O ASP A 767 -5.444 9.869 -5.034 1.00 0.00 O ATOM 718 CB ASP A 767 -2.499 9.449 -5.716 1.00 0.00 C ATOM 719 CG ASP A 767 -1.232 10.262 -5.541 1.00 0.00 C ATOM 720 OD1 ASP A 767 -0.198 9.676 -5.157 1.00 0.00 O ATOM 721 OD2 ASP A 767 -1.272 11.486 -5.788 1.00 0.00 O ATOM 0 H ASP A 767 -2.124 7.427 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.131 10.096 -3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.252 8.490 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.167 9.966 -6.405 1.00 0.00 H new ATOM 726 N TYR A 768 -5.150 7.719 -4.431 1.00 0.00 N ATOM 727 CA TYR A 768 -6.547 7.353 -4.637 1.00 0.00 C ATOM 728 C TYR A 768 -7.466 8.181 -3.745 1.00 0.00 C ATOM 729 O TYR A 768 -7.016 8.811 -2.788 1.00 0.00 O ATOM 730 CB TYR A 768 -6.750 5.865 -4.348 1.00 0.00 C ATOM 731 CG TYR A 768 -7.811 5.216 -5.207 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.564 4.910 -6.539 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.061 4.908 -4.683 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.533 4.317 -7.327 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.034 4.314 -5.463 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.766 4.020 -6.783 1.00 0.00 C ATOM 737 OH TYR A 768 -10.733 3.428 -7.563 1.00 0.00 O ATOM 0 H TYR A 768 -4.557 6.953 -4.113 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.800 7.557 -5.678 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.805 5.343 -4.498 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.019 5.742 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.599 5.139 -6.966 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.275 5.137 -3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.326 4.088 -8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.000 4.081 -5.041 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.442 3.070 -6.989 1.00 0.00 H new ATOM 747 N ASP A 769 -8.758 8.173 -4.063 1.00 0.00 N ATOM 748 CA ASP A 769 -9.740 8.921 -3.286 1.00 0.00 C ATOM 749 C ASP A 769 -10.304 8.064 -2.158 1.00 0.00 C ATOM 750 O ASP A 769 -10.870 6.998 -2.399 1.00 0.00 O ATOM 751 CB ASP A 769 -10.875 9.410 -4.188 1.00 0.00 C ATOM 752 CG ASP A 769 -11.385 10.778 -3.783 1.00 0.00 C ATOM 753 OD1 ASP A 769 -11.664 10.977 -2.581 1.00 0.00 O ATOM 754 OD2 ASP A 769 -11.506 11.653 -4.668 1.00 0.00 O ATOM 0 H ASP A 769 -9.148 7.658 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.239 9.784 -2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.526 9.446 -5.220 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.696 8.694 -4.154 1.00 0.00 H new ATOM 759 N GLN A 770 -10.147 8.539 -0.927 1.00 0.00 N ATOM 760 CA GLN A 770 -10.640 7.818 0.242 1.00 0.00 C ATOM 761 C GLN A 770 -12.135 7.538 0.121 1.00 0.00 C ATOM 762 O GLN A 770 -12.622 6.503 0.574 1.00 0.00 O ATOM 763 CB GLN A 770 -10.354 8.618 1.515 1.00 0.00 C ATOM 764 CG GLN A 770 -9.605 7.826 2.574 1.00 0.00 C ATOM 765 CD GLN A 770 -10.403 7.662 3.853 1.00 0.00 C ATOM 766 OE1 GLN A 770 -10.384 8.530 4.726 1.00 0.00 O ATOM 767 NE2 GLN A 770 -11.112 6.545 3.967 1.00 0.00 N ATOM 0 H GLN A 770 -9.682 9.421 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.118 6.863 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.773 9.503 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.297 8.968 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -9.355 6.842 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -8.664 8.327 2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -11.098 5.853 3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -11.671 6.379 4.804 1.00 0.00 H new ATOM 776 N GLN A 771 -12.857 8.466 -0.498 1.00 0.00 N ATOM 777 CA GLN A 771 -14.295 8.315 -0.684 1.00 0.00 C ATOM 778 C GLN A 771 -14.597 7.070 -1.510 1.00 0.00 C ATOM 779 O GLN A 771 -15.477 6.279 -1.167 1.00 0.00 O ATOM 780 CB GLN A 771 -14.876 9.551 -1.373 1.00 0.00 C ATOM 781 CG GLN A 771 -16.372 9.717 -1.169 1.00 0.00 C ATOM 782 CD GLN A 771 -17.183 9.166 -2.327 1.00 0.00 C ATOM 783 OE1 GLN A 771 -16.647 8.891 -3.401 1.00 0.00 O ATOM 784 NE2 GLN A 771 -18.483 9.003 -2.114 1.00 0.00 N ATOM 0 H GLN A 771 -12.470 9.330 -0.879 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.758 8.207 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.366 10.438 -0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -14.668 9.492 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -16.668 9.211 -0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -16.602 10.775 -1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -18.886 9.244 -1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -19.079 8.637 -2.856 1.00 0.00 H new ATOM 793 N VAL A 772 -13.850 6.899 -2.596 1.00 0.00 N ATOM 794 CA VAL A 772 -14.025 5.748 -3.471 1.00 0.00 C ATOM 795 C VAL A 772 -13.634 4.464 -2.751 1.00 0.00 C ATOM 796 O VAL A 772 -14.289 3.432 -2.897 1.00 0.00 O ATOM 797 CB VAL A 772 -13.182 5.884 -4.754 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.460 4.729 -5.706 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.451 7.219 -5.431 1.00 0.00 C ATOM 0 H VAL A 772 -13.117 7.544 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.079 5.707 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.128 5.848 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.855 4.845 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.209 3.787 -5.218 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.516 4.727 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.847 7.297 -6.335 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.507 7.288 -5.693 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.192 8.031 -4.751 1.00 0.00 H new ATOM 809 N PHE A 773 -12.565 4.536 -1.969 1.00 0.00 N ATOM 810 CA PHE A 773 -12.093 3.381 -1.222 1.00 0.00 C ATOM 811 C PHE A 773 -13.113 2.977 -0.162 1.00 0.00 C ATOM 812 O PHE A 773 -13.514 1.816 -0.084 1.00 0.00 O ATOM 813 CB PHE A 773 -10.744 3.683 -0.564 1.00 0.00 C ATOM 814 CG PHE A 773 -10.304 2.625 0.407 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.309 1.289 0.041 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.901 2.966 1.686 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.915 0.312 0.933 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.505 1.993 2.583 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.511 0.664 2.207 1.00 0.00 C ATOM 0 H PHE A 773 -12.010 5.381 -1.836 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.965 2.552 -1.919 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.986 3.792 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.808 4.639 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.625 1.009 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.896 4.003 1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.922 -0.726 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.191 2.271 3.578 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.201 -0.098 2.907 1.00 0.00 H new ATOM 829 N GLU A 774 -13.528 3.944 0.651 1.00 0.00 N ATOM 830 CA GLU A 774 -14.501 3.686 1.706 1.00 0.00 C ATOM 831 C GLU A 774 -15.767 3.060 1.129 1.00 0.00 C ATOM 832 O GLU A 774 -16.328 2.130 1.708 1.00 0.00 O ATOM 833 CB GLU A 774 -14.846 4.980 2.446 1.00 0.00 C ATOM 834 CG GLU A 774 -13.936 5.267 3.630 1.00 0.00 C ATOM 835 CD GLU A 774 -14.027 6.705 4.101 1.00 0.00 C ATOM 836 OE1 GLU A 774 -13.722 7.613 3.298 1.00 0.00 O ATOM 837 OE2 GLU A 774 -14.403 6.924 5.272 1.00 0.00 O ATOM 0 H GLU A 774 -13.206 4.911 0.599 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.057 2.985 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.791 5.814 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.877 4.924 2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -14.197 4.602 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -12.905 5.044 3.354 1.00 0.00 H new ATOM 844 N ARG A 775 -16.207 3.568 -0.019 1.00 0.00 N ATOM 845 CA ARG A 775 -17.399 3.044 -0.674 1.00 0.00 C ATOM 846 C ARG A 775 -17.167 1.600 -1.113 1.00 0.00 C ATOM 847 O ARG A 775 -18.056 0.755 -1.004 1.00 0.00 O ATOM 848 CB ARG A 775 -17.805 3.937 -1.861 1.00 0.00 C ATOM 849 CG ARG A 775 -17.301 3.467 -3.221 1.00 0.00 C ATOM 850 CD ARG A 775 -18.306 2.552 -3.904 1.00 0.00 C ATOM 851 NE ARG A 775 -19.426 3.297 -4.478 1.00 0.00 N ATOM 852 CZ ARG A 775 -20.233 2.815 -5.421 1.00 0.00 C ATOM 853 NH1 ARG A 775 -20.044 1.595 -5.909 1.00 0.00 N ATOM 854 NH2 ARG A 775 -21.232 3.557 -5.881 1.00 0.00 N ATOM 0 H ARG A 775 -15.757 4.339 -0.512 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.224 3.051 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.893 3.999 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.434 4.946 -1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -17.105 4.331 -3.856 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.354 2.941 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -17.806 1.987 -4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -18.685 1.827 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 775 -19.599 4.242 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -19.276 1.020 -5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -20.666 1.233 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -21.381 4.496 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -21.851 3.188 -6.603 1.00 0.00 H new ATOM 868 N HIS A 776 -15.960 1.326 -1.603 1.00 0.00 N ATOM 869 CA HIS A 776 -15.601 -0.014 -2.052 1.00 0.00 C ATOM 870 C HIS A 776 -15.559 -0.982 -0.872 1.00 0.00 C ATOM 871 O HIS A 776 -16.126 -2.071 -0.932 1.00 0.00 O ATOM 872 CB HIS A 776 -14.249 0.015 -2.767 1.00 0.00 C ATOM 873 CG HIS A 776 -13.556 -1.313 -2.820 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.630 -2.174 -3.891 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.756 -1.921 -1.906 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.890 -3.253 -3.601 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.339 -3.145 -2.411 1.00 0.00 N ATOM 0 H HIS A 776 -15.215 2.016 -1.699 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.361 -0.361 -2.752 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.396 0.377 -3.785 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.600 0.732 -2.264 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.154 -2.019 -4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.487 -1.517 -0.941 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.763 -4.101 -4.258 1.00 0.00 H new ATOM 885 N VAL A 777 -14.889 -0.580 0.203 1.00 0.00 N ATOM 886 CA VAL A 777 -14.798 -1.429 1.384 1.00 0.00 C ATOM 887 C VAL A 777 -16.177 -1.584 2.011 1.00 0.00 C ATOM 888 O VAL A 777 -16.561 -2.672 2.439 1.00 0.00 O ATOM 889 CB VAL A 777 -13.826 -0.879 2.446 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.241 -2.020 3.262 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.717 -0.059 1.812 1.00 0.00 C ATOM 0 H VAL A 777 -14.407 0.316 0.281 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.410 -2.392 1.050 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.389 -0.220 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.556 -1.619 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.046 -2.561 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.701 -2.700 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.050 0.313 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.153 -0.684 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.150 0.783 1.272 1.00 0.00 H new ATOM 901 N GLN A 778 -16.924 -0.483 2.038 1.00 0.00 N ATOM 902 CA GLN A 778 -18.274 -0.486 2.586 1.00 0.00 C ATOM 903 C GLN A 778 -19.179 -1.360 1.729 1.00 0.00 C ATOM 904 O GLN A 778 -20.111 -1.991 2.228 1.00 0.00 O ATOM 905 CB GLN A 778 -18.827 0.939 2.648 1.00 0.00 C ATOM 906 CG GLN A 778 -18.255 1.766 3.786 1.00 0.00 C ATOM 907 CD GLN A 778 -18.690 1.260 5.147 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.878 1.062 5.397 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.727 1.050 6.034 1.00 0.00 N ATOM 0 H GLN A 778 -16.615 0.423 1.686 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.241 -0.891 3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.618 1.442 1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.911 0.895 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.167 1.754 3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.569 2.803 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.755 1.228 5.783 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -17.959 0.711 6.968 1.00 0.00 H new ATOM 918 N THR A 779 -18.883 -1.398 0.434 1.00 0.00 N ATOM 919 CA THR A 779 -19.652 -2.201 -0.508 1.00 0.00 C ATOM 920 C THR A 779 -19.609 -3.673 -0.106 1.00 0.00 C ATOM 921 O THR A 779 -20.515 -4.442 -0.425 1.00 0.00 O ATOM 922 CB THR A 779 -19.105 -2.004 -1.928 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.495 -0.743 -2.440 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.565 -3.055 -2.917 1.00 0.00 C ATOM 0 H THR A 779 -18.113 -0.879 0.012 1.00 0.00 H new ATOM 0 HA THR A 779 -20.692 -1.876 -0.490 1.00 0.00 H new ATOM 0 HB THR A 779 -18.023 -2.083 -1.825 1.00 0.00 H new ATOM 0 HG1 THR A 779 -19.305 -0.047 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.136 -2.845 -3.897 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.238 -4.039 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.653 -3.038 -2.986 1.00 0.00 H new ATOM 932 N HIS A 780 -18.551 -4.053 0.601 1.00 0.00 N ATOM 933 CA HIS A 780 -18.384 -5.425 1.057 1.00 0.00 C ATOM 934 C HIS A 780 -19.121 -5.655 2.373 1.00 0.00 C ATOM 935 O HIS A 780 -19.582 -6.762 2.655 1.00 0.00 O ATOM 936 CB HIS A 780 -16.901 -5.740 1.235 1.00 0.00 C ATOM 937 CG HIS A 780 -16.123 -5.704 -0.041 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.174 -6.694 -0.996 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.264 -4.766 -0.518 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.363 -6.339 -2.000 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.788 -5.176 -1.760 1.00 0.00 N ATOM 0 H HIS A 780 -17.793 -3.426 0.871 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.807 -6.088 0.303 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.468 -5.025 1.935 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.800 -6.728 1.685 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.731 -7.547 -0.947 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.994 -3.850 -0.015 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.200 -6.928 -2.891 1.00 0.00 H new ATOM 949 N PHE A 781 -19.227 -4.600 3.177 1.00 0.00 N ATOM 950 CA PHE A 781 -19.907 -4.685 4.465 1.00 0.00 C ATOM 951 C PHE A 781 -21.414 -4.838 4.278 1.00 0.00 C ATOM 952 O PHE A 781 -22.099 -5.411 5.126 1.00 0.00 O ATOM 953 CB PHE A 781 -19.608 -3.438 5.304 1.00 0.00 C ATOM 954 CG PHE A 781 -18.141 -3.145 5.465 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.188 -4.137 5.288 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.719 -1.869 5.795 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.842 -3.858 5.436 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.375 -1.584 5.945 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.436 -2.580 5.766 1.00 0.00 C ATOM 0 H PHE A 781 -18.851 -3.677 2.959 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.535 -5.566 4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.091 -2.577 4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -20.054 -3.561 6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.501 -5.138 5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.449 -1.086 5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.109 -4.638 5.294 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -16.060 -0.583 6.202 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.385 -2.360 5.884 1.00 0.00 H new ATOM 969 N ASP A 782 -21.924 -4.324 3.163 1.00 0.00 N ATOM 970 CA ASP A 782 -23.350 -4.406 2.866 1.00 0.00 C ATOM 971 C ASP A 782 -23.668 -5.647 2.034 1.00 0.00 C ATOM 972 O ASP A 782 -24.805 -6.117 2.016 1.00 0.00 O ATOM 973 CB ASP A 782 -23.807 -3.150 2.122 1.00 0.00 C ATOM 974 CG ASP A 782 -25.287 -2.879 2.299 1.00 0.00 C ATOM 975 OD1 ASP A 782 -26.101 -3.615 1.703 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.633 -1.932 3.035 1.00 0.00 O ATOM 0 H ASP A 782 -21.372 -3.847 2.451 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.888 -4.480 3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.238 -2.292 2.480 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.585 -3.259 1.060 1.00 0.00 H new