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= -5.09! USER MOD Set 1.2: A 760 CYS SG : rot 120:sc= -0.0277 USER MOD Set 1.3: A 776 HIS : no HD1:sc= -2.6 K(o=-11,f=-16) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -3.65 K(o=-11,f=-13!) USER MOD Set 2.1: A 730 CYS SG : rot 36:sc= -2.98 USER MOD Set 2.2: A 733 CYS SG : rot 19:sc= -1.62 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.45 K(o=-11,f=-18!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -1.63 K(o=-11,f=-15!) USER MOD Set 3.1: A 727 HIS : no HE2:sc= -4.74 K(o=-4.7,f=-3.7) USER MOD Set 3.2: A 736 MET CE :methyl -145:sc= 0 (180deg=0) USER MOD Single : A 728 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00807) USER MOD Single : A 729 LYS NZ :NH3+ -178:sc= 0.0451 (180deg=0.0414) USER MOD Single : A 740 ASN : amide:sc= -0.0924 K(o=-0.092,f=-2.3!) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.0295 USER MOD Single : A 743 GLN : amide:sc= -0.469 K(o=-0.47,f=-5.1!) USER MOD Single : A 744 SER OG : rot 180:sc= 0.00736 USER MOD Single : A 745 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0769) USER MOD Single : A 752 SER OG : rot 63:sc= 0.936 USER MOD Single : A 755 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 759 MET CE :methyl -157:sc= -0.725 (180deg=-2.52!) USER MOD Single : A 761 SER OG : rot -69:sc= 0.637 USER MOD Single : A 763 GLN : amide:sc= -10.5! C(o=-10!,f=-22!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 778 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.99) USER MOD Single : A 779 THR OG1 : rot 83:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.849 2.901 -1.583 1.00 0.00 N ATOM 74 CA HIS A 727 19.787 2.521 -0.660 1.00 0.00 C ATOM 75 C HIS A 727 18.414 2.818 -1.255 1.00 0.00 C ATOM 76 O HIS A 727 18.255 3.759 -2.034 1.00 0.00 O ATOM 77 CB HIS A 727 19.950 3.260 0.670 1.00 0.00 C ATOM 78 CG HIS A 727 20.697 2.476 1.703 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.316 3.058 2.789 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.921 1.145 1.813 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.890 2.119 3.521 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.664 0.950 2.951 1.00 0.00 N ATOM 0 HA HIS A 727 19.861 1.448 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.472 4.200 0.492 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.964 3.511 1.060 1.00 0.00 H new ATOM 0 HD1 HIS A 727 21.329 4.057 2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.579 0.379 1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.449 2.281 4.431 1.00 0.00 H new ATOM 91 N LYS A 728 17.426 2.013 -0.882 1.00 0.00 N ATOM 92 CA LYS A 728 16.066 2.190 -1.375 1.00 0.00 C ATOM 93 C LYS A 728 15.176 2.804 -0.301 1.00 0.00 C ATOM 94 O LYS A 728 14.993 2.229 0.772 1.00 0.00 O ATOM 95 CB LYS A 728 15.486 0.849 -1.829 1.00 0.00 C ATOM 96 CG LYS A 728 15.921 0.439 -3.226 1.00 0.00 C ATOM 97 CD LYS A 728 15.748 -1.055 -3.446 1.00 0.00 C ATOM 98 CE LYS A 728 15.250 -1.358 -4.849 1.00 0.00 C ATOM 99 NZ LYS A 728 16.239 -0.959 -5.889 1.00 0.00 N ATOM 0 H LYS A 728 17.542 1.230 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 728 16.100 2.869 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.786 0.075 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.398 0.904 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.337 0.987 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.965 0.712 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 728 16.699 -1.561 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 728 15.044 -1.452 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 728 15.041 -2.424 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 728 14.310 -0.833 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 15.891 -1.244 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 16.369 0.073 -5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 17.149 -1.427 -5.701 1.00 0.00 H new ATOM 113 N LYS A 729 14.626 3.978 -0.594 1.00 0.00 N ATOM 114 CA LYS A 729 13.757 4.671 0.350 1.00 0.00 C ATOM 115 C LYS A 729 12.320 4.712 -0.160 1.00 0.00 C ATOM 116 O LYS A 729 12.050 5.228 -1.244 1.00 0.00 O ATOM 117 CB LYS A 729 14.265 6.093 0.591 1.00 0.00 C ATOM 118 CG LYS A 729 13.594 6.788 1.765 1.00 0.00 C ATOM 119 CD LYS A 729 14.615 7.380 2.723 1.00 0.00 C ATOM 120 CE LYS A 729 14.035 8.546 3.506 1.00 0.00 C ATOM 121 NZ LYS A 729 14.549 8.587 4.904 1.00 0.00 N ATOM 0 H LYS A 729 14.767 4.469 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 729 13.773 4.121 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.341 6.061 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 729 14.105 6.685 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.940 7.578 1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 729 12.964 6.076 2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 729 14.956 6.610 3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 729 15.489 7.715 2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 729 14.281 9.480 3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 729 12.948 8.468 3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 14.104 9.376 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 14.322 7.692 5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 15.580 8.721 4.891 1.00 0.00 H new ATOM 135 N CYS A 730 11.401 4.168 0.632 1.00 0.00 N ATOM 136 CA CYS A 730 9.992 4.147 0.262 1.00 0.00 C ATOM 137 C CYS A 730 9.380 5.544 0.402 1.00 0.00 C ATOM 138 O CYS A 730 9.379 6.121 1.488 1.00 0.00 O ATOM 139 CB CYS A 730 9.235 3.140 1.133 1.00 0.00 C ATOM 140 SG CYS A 730 7.442 3.158 0.904 1.00 0.00 S ATOM 0 H CYS A 730 11.608 3.737 1.533 1.00 0.00 H new ATOM 0 HA CYS A 730 9.908 3.840 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.607 2.139 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.458 3.344 2.180 1.00 0.00 H new ATOM 0 HG CYS A 730 7.166 3.388 -0.345 1.00 0.00 H new ATOM 145 N PRO A 731 8.865 6.112 -0.705 1.00 0.00 N ATOM 146 CA PRO A 731 8.267 7.454 -0.701 1.00 0.00 C ATOM 147 C PRO A 731 7.136 7.606 0.313 1.00 0.00 C ATOM 148 O PRO A 731 6.831 8.715 0.750 1.00 0.00 O ATOM 149 CB PRO A 731 7.726 7.612 -2.125 1.00 0.00 C ATOM 150 CG PRO A 731 8.530 6.667 -2.947 1.00 0.00 C ATOM 151 CD PRO A 731 8.838 5.504 -2.048 1.00 0.00 C ATOM 0 HA PRO A 731 8.998 8.210 -0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.664 7.372 -2.173 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.838 8.637 -2.479 1.00 0.00 H new ATOM 0 HG2 PRO A 731 7.975 6.344 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 731 9.446 7.139 -3.303 1.00 0.00 H new ATOM 0 HD2 PRO A 731 8.078 4.726 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 731 9.793 5.042 -2.300 1.00 0.00 H new ATOM 159 N LEU A 732 6.507 6.495 0.672 1.00 0.00 N ATOM 160 CA LEU A 732 5.401 6.517 1.622 1.00 0.00 C ATOM 161 C LEU A 732 5.887 6.711 3.056 1.00 0.00 C ATOM 162 O LEU A 732 5.122 7.131 3.924 1.00 0.00 O ATOM 163 CB LEU A 732 4.592 5.226 1.517 1.00 0.00 C ATOM 164 CG LEU A 732 3.838 5.055 0.200 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.738 3.588 -0.180 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.458 5.680 0.305 1.00 0.00 C ATOM 0 H LEU A 732 6.743 5.567 0.320 1.00 0.00 H new ATOM 0 HA LEU A 732 4.767 7.367 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.265 4.379 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.876 5.194 2.338 1.00 0.00 H new ATOM 0 HG LEU A 732 4.393 5.566 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.197 3.492 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.739 3.172 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.206 3.045 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.928 5.553 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.898 5.194 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.556 6.743 0.526 1.00 0.00 H new ATOM 178 N CYS A 733 7.154 6.404 3.304 1.00 0.00 N ATOM 179 CA CYS A 733 7.721 6.549 4.639 1.00 0.00 C ATOM 180 C CYS A 733 9.150 7.078 4.574 1.00 0.00 C ATOM 181 O CYS A 733 9.622 7.492 3.515 1.00 0.00 O ATOM 182 CB CYS A 733 7.688 5.207 5.372 1.00 0.00 C ATOM 183 SG CYS A 733 8.729 3.934 4.623 1.00 0.00 S ATOM 0 H CYS A 733 7.806 6.055 2.602 1.00 0.00 H new ATOM 0 HA CYS A 733 7.117 7.271 5.188 1.00 0.00 H new ATOM 0 HB2 CYS A 733 8.005 5.360 6.404 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.659 4.848 5.405 1.00 0.00 H new ATOM 0 HG CYS A 733 9.609 4.494 3.847 1.00 0.00 H new ATOM 188 N GLU A 734 9.835 7.067 5.713 1.00 0.00 N ATOM 189 CA GLU A 734 11.210 7.547 5.784 1.00 0.00 C ATOM 190 C GLU A 734 12.155 6.436 6.230 1.00 0.00 C ATOM 191 O GLU A 734 13.093 6.673 6.990 1.00 0.00 O ATOM 192 CB GLU A 734 11.308 8.733 6.746 1.00 0.00 C ATOM 193 CG GLU A 734 10.967 10.068 6.104 1.00 0.00 C ATOM 194 CD GLU A 734 10.719 11.161 7.125 1.00 0.00 C ATOM 195 OE1 GLU A 734 9.987 10.904 8.103 1.00 0.00 O ATOM 196 OE2 GLU A 734 11.258 12.274 6.947 1.00 0.00 O ATOM 0 H GLU A 734 9.460 6.731 6.600 1.00 0.00 H new ATOM 0 HA GLU A 734 11.507 7.870 4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.638 8.563 7.588 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.320 8.781 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 734 11.782 10.369 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 734 10.081 9.951 5.480 1.00 0.00 H new ATOM 203 N LEU A 735 11.902 5.222 5.749 1.00 0.00 N ATOM 204 CA LEU A 735 12.734 4.075 6.099 1.00 0.00 C ATOM 205 C LEU A 735 13.725 3.761 4.983 1.00 0.00 C ATOM 206 O LEU A 735 13.378 3.795 3.803 1.00 0.00 O ATOM 207 CB LEU A 735 11.859 2.851 6.382 1.00 0.00 C ATOM 208 CG LEU A 735 12.246 2.056 7.631 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.006 2.883 8.885 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.467 0.751 7.693 1.00 0.00 C ATOM 0 H LEU A 735 11.130 5.007 5.118 1.00 0.00 H new ATOM 0 HA LEU A 735 13.296 4.326 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.824 3.178 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.900 2.186 5.519 1.00 0.00 H new ATOM 0 HG LEU A 735 13.309 1.820 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.287 2.302 9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.608 3.791 8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 735 10.951 3.150 8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.754 0.198 8.587 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.399 0.966 7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.689 0.153 6.809 1.00 0.00 H new ATOM 222 N MET A 736 14.960 3.452 5.366 1.00 0.00 N ATOM 223 CA MET A 736 16.001 3.127 4.399 1.00 0.00 C ATOM 224 C MET A 736 16.239 1.622 4.346 1.00 0.00 C ATOM 225 O MET A 736 16.372 0.968 5.380 1.00 0.00 O ATOM 226 CB MET A 736 17.302 3.848 4.756 1.00 0.00 C ATOM 227 CG MET A 736 17.167 5.362 4.793 1.00 0.00 C ATOM 228 SD MET A 736 18.591 6.168 5.552 1.00 0.00 S ATOM 229 CE MET A 736 19.752 6.159 4.188 1.00 0.00 C ATOM 0 H MET A 736 15.264 3.420 6.339 1.00 0.00 H new ATOM 0 HA MET A 736 15.668 3.461 3.416 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.646 3.498 5.729 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.069 3.577 4.030 1.00 0.00 H new ATOM 0 HG2 MET A 736 17.041 5.737 3.777 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.266 5.629 5.345 1.00 0.00 H new ATOM 0 HE1 MET A 736 20.762 6.016 4.571 1.00 0.00 H new ATOM 0 HE2 MET A 736 19.505 5.346 3.505 1.00 0.00 H new ATOM 0 HE3 MET A 736 19.696 7.109 3.656 1.00 0.00 H new ATOM 239 N PHE A 737 16.288 1.076 3.135 1.00 0.00 N ATOM 240 CA PHE A 737 16.508 -0.353 2.951 1.00 0.00 C ATOM 241 C PHE A 737 17.897 -0.621 2.374 1.00 0.00 C ATOM 242 O PHE A 737 18.389 0.140 1.542 1.00 0.00 O ATOM 243 CB PHE A 737 15.430 -0.939 2.036 1.00 0.00 C ATOM 244 CG PHE A 737 14.055 -0.930 2.648 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.874 -1.260 3.983 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.945 -0.591 1.889 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.614 -1.251 4.548 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.681 -0.582 2.451 1.00 0.00 C ATOM 249 CZ PHE A 737 11.517 -0.912 3.782 1.00 0.00 C ATOM 0 H PHE A 737 16.178 1.601 2.268 1.00 0.00 H new ATOM 0 HA PHE A 737 16.446 -0.837 3.925 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.408 -0.374 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.699 -1.964 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.728 -1.527 4.587 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.069 -0.331 0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.487 -1.509 5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.824 -0.317 1.850 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.531 -0.905 4.223 1.00 0.00 H new ATOM 259 N PRO A 738 18.553 -1.710 2.817 1.00 0.00 N ATOM 260 CA PRO A 738 19.897 -2.072 2.346 1.00 0.00 C ATOM 261 C PRO A 738 19.920 -2.445 0.867 1.00 0.00 C ATOM 262 O PRO A 738 18.902 -2.850 0.303 1.00 0.00 O ATOM 263 CB PRO A 738 20.267 -3.284 3.208 1.00 0.00 C ATOM 264 CG PRO A 738 18.964 -3.844 3.662 1.00 0.00 C ATOM 265 CD PRO A 738 18.042 -2.668 3.814 1.00 0.00 C ATOM 0 HA PRO A 738 20.593 -1.238 2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.834 -4.018 2.635 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.888 -2.992 4.055 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.571 -4.557 2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.076 -4.378 4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.005 -2.941 3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.077 -2.257 4.823 1.00 0.00 H new ATOM 273 N PRO A 739 21.090 -2.313 0.215 1.00 0.00 N ATOM 274 CA PRO A 739 21.245 -2.639 -1.208 1.00 0.00 C ATOM 275 C PRO A 739 20.861 -4.082 -1.517 1.00 0.00 C ATOM 276 O PRO A 739 20.462 -4.404 -2.636 1.00 0.00 O ATOM 277 CB PRO A 739 22.739 -2.419 -1.472 1.00 0.00 C ATOM 278 CG PRO A 739 23.191 -1.502 -0.388 1.00 0.00 C ATOM 279 CD PRO A 739 22.351 -1.839 0.811 1.00 0.00 C ATOM 0 HA PRO A 739 20.595 -2.027 -1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.287 -3.361 -1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.906 -1.980 -2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 739 24.251 -1.642 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 739 23.059 -0.459 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.819 -2.607 1.428 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.193 -0.970 1.449 1.00 0.00 H new ATOM 287 N ASN A 740 20.984 -4.949 -0.515 1.00 0.00 N ATOM 288 CA ASN A 740 20.647 -6.360 -0.680 1.00 0.00 C ATOM 289 C ASN A 740 19.164 -6.613 -0.407 1.00 0.00 C ATOM 290 O ASN A 740 18.729 -7.762 -0.325 1.00 0.00 O ATOM 291 CB ASN A 740 21.501 -7.220 0.254 1.00 0.00 C ATOM 292 CG ASN A 740 22.972 -7.187 -0.113 1.00 0.00 C ATOM 293 OD1 ASN A 740 23.404 -6.365 -0.921 1.00 0.00 O ATOM 294 ND2 ASN A 740 23.749 -8.085 0.480 1.00 0.00 N ATOM 0 H ASN A 740 21.314 -4.700 0.418 1.00 0.00 H new ATOM 0 HA ASN A 740 20.855 -6.634 -1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 740 21.377 -6.871 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.145 -8.250 0.223 1.00 0.00 H new ATOM 0 HD21 ASN A 740 24.747 -8.112 0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.348 -8.748 1.144 1.00 0.00 H new ATOM 301 N TYR A 741 18.392 -5.539 -0.269 1.00 0.00 N ATOM 302 CA TYR A 741 16.963 -5.653 -0.007 1.00 0.00 C ATOM 303 C TYR A 741 16.213 -6.076 -1.266 1.00 0.00 C ATOM 304 O TYR A 741 16.367 -5.470 -2.325 1.00 0.00 O ATOM 305 CB TYR A 741 16.413 -4.321 0.506 1.00 0.00 C ATOM 306 CG TYR A 741 15.028 -4.423 1.102 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.900 -4.372 0.296 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.850 -4.569 2.473 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.632 -4.463 0.836 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.585 -4.662 3.021 1.00 0.00 C ATOM 311 CZ TYR A 741 12.480 -4.608 2.199 1.00 0.00 C ATOM 312 OH TYR A 741 11.218 -4.699 2.742 1.00 0.00 O ATOM 0 H TYR A 741 18.733 -4.580 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 741 16.816 -6.418 0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.094 -3.923 1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.393 -3.606 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 741 14.015 -4.259 -0.772 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.714 -4.610 3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.764 -4.421 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.463 -4.776 4.088 1.00 0.00 H new ATOM 0 HH TYR A 741 11.287 -4.799 3.714 1.00 0.00 H new ATOM 322 N ASP A 742 15.400 -7.121 -1.142 1.00 0.00 N ATOM 323 CA ASP A 742 14.627 -7.624 -2.272 1.00 0.00 C ATOM 324 C ASP A 742 13.555 -6.622 -2.686 1.00 0.00 C ATOM 325 O ASP A 742 12.857 -6.060 -1.842 1.00 0.00 O ATOM 326 CB ASP A 742 13.979 -8.964 -1.916 1.00 0.00 C ATOM 327 CG ASP A 742 15.002 -10.059 -1.692 1.00 0.00 C ATOM 328 OD1 ASP A 742 15.454 -10.223 -0.539 1.00 0.00 O ATOM 329 OD2 ASP A 742 15.353 -10.754 -2.670 1.00 0.00 O ATOM 0 H ASP A 742 15.260 -7.635 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 742 15.307 -7.768 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.375 -8.845 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.302 -9.261 -2.717 1.00 0.00 H new ATOM 334 N GLN A 743 13.431 -6.402 -3.991 1.00 0.00 N ATOM 335 CA GLN A 743 12.443 -5.467 -4.517 1.00 0.00 C ATOM 336 C GLN A 743 11.029 -5.926 -4.185 1.00 0.00 C ATOM 337 O GLN A 743 10.174 -5.120 -3.817 1.00 0.00 O ATOM 338 CB GLN A 743 12.605 -5.320 -6.031 1.00 0.00 C ATOM 339 CG GLN A 743 12.941 -3.904 -6.472 1.00 0.00 C ATOM 340 CD GLN A 743 11.847 -2.912 -6.129 1.00 0.00 C ATOM 341 OE1 GLN A 743 12.103 -1.879 -5.510 1.00 0.00 O ATOM 342 NE2 GLN A 743 10.620 -3.222 -6.529 1.00 0.00 N ATOM 0 H GLN A 743 14.002 -6.858 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 743 12.609 -4.498 -4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.391 -5.994 -6.371 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.683 -5.635 -6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 743 13.872 -3.591 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.112 -3.893 -7.549 1.00 0.00 H new ATOM 0 HE21 GLN A 743 10.454 -4.089 -7.040 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.843 -2.593 -6.326 1.00 0.00 H new ATOM 351 N SER A 744 10.790 -7.228 -4.309 1.00 0.00 N ATOM 352 CA SER A 744 9.478 -7.794 -4.014 1.00 0.00 C ATOM 353 C SER A 744 9.043 -7.406 -2.605 1.00 0.00 C ATOM 354 O SER A 744 7.885 -7.051 -2.372 1.00 0.00 O ATOM 355 CB SER A 744 9.511 -9.318 -4.151 1.00 0.00 C ATOM 356 OG SER A 744 10.224 -9.710 -5.313 1.00 0.00 O ATOM 0 H SER A 744 11.486 -7.910 -4.611 1.00 0.00 H new ATOM 0 HA SER A 744 8.759 -7.394 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 744 9.978 -9.756 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.493 -9.704 -4.197 1.00 0.00 H new ATOM 0 HG SER A 744 10.232 -10.688 -5.377 1.00 0.00 H new ATOM 362 N LYS A 745 9.989 -7.452 -1.676 1.00 0.00 N ATOM 363 CA LYS A 745 9.719 -7.083 -0.297 1.00 0.00 C ATOM 364 C LYS A 745 9.420 -5.594 -0.222 1.00 0.00 C ATOM 365 O LYS A 745 8.584 -5.151 0.566 1.00 0.00 O ATOM 366 CB LYS A 745 10.911 -7.433 0.598 1.00 0.00 C ATOM 367 CG LYS A 745 10.584 -8.458 1.672 1.00 0.00 C ATOM 368 CD LYS A 745 11.706 -8.575 2.689 1.00 0.00 C ATOM 369 CE LYS A 745 11.446 -9.701 3.679 1.00 0.00 C ATOM 370 NZ LYS A 745 10.221 -9.456 4.488 1.00 0.00 N ATOM 0 H LYS A 745 10.950 -7.742 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 745 8.854 -7.643 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.721 -7.815 -0.023 1.00 0.00 H new ATOM 0 HB3 LYS A 745 11.277 -6.523 1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 745 9.661 -8.175 2.178 1.00 0.00 H new ATOM 0 HG3 LYS A 745 10.409 -9.429 1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.649 -8.754 2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 745 11.810 -7.633 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 745 11.343 -10.642 3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 745 12.304 -9.807 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 10.134 -10.192 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 10.286 -8.523 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 9.385 -9.482 3.869 1.00 0.00 H new ATOM 384 N PHE A 746 10.107 -4.829 -1.063 1.00 0.00 N ATOM 385 CA PHE A 746 9.918 -3.389 -1.112 1.00 0.00 C ATOM 386 C PHE A 746 8.522 -3.072 -1.623 1.00 0.00 C ATOM 387 O PHE A 746 7.858 -2.167 -1.123 1.00 0.00 O ATOM 388 CB PHE A 746 10.969 -2.740 -2.012 1.00 0.00 C ATOM 389 CG PHE A 746 10.927 -1.237 -1.991 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.105 -0.544 -0.804 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.709 -0.519 -3.156 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.068 0.837 -0.779 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.669 0.863 -3.136 1.00 0.00 C ATOM 394 CZ PHE A 746 10.849 1.542 -1.946 1.00 0.00 C ATOM 0 H PHE A 746 10.801 -5.186 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 746 10.032 -2.985 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.959 -3.073 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.824 -3.086 -3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.275 -1.090 0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.569 -1.044 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.210 1.365 0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.497 1.412 -4.050 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.818 2.621 -1.929 1.00 0.00 H new ATOM 404 N GLU A 747 8.075 -3.839 -2.612 1.00 0.00 N ATOM 405 CA GLU A 747 6.745 -3.654 -3.173 1.00 0.00 C ATOM 406 C GLU A 747 5.697 -3.887 -2.095 1.00 0.00 C ATOM 407 O GLU A 747 4.751 -3.113 -1.951 1.00 0.00 O ATOM 408 CB GLU A 747 6.520 -4.612 -4.345 1.00 0.00 C ATOM 409 CG GLU A 747 7.352 -4.278 -5.572 1.00 0.00 C ATOM 410 CD GLU A 747 7.446 -5.436 -6.546 1.00 0.00 C ATOM 411 OE1 GLU A 747 6.442 -5.715 -7.235 1.00 0.00 O ATOM 412 OE2 GLU A 747 8.523 -6.064 -6.620 1.00 0.00 O ATOM 0 H GLU A 747 8.614 -4.592 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 747 6.657 -2.632 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 747 6.753 -5.627 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.465 -4.598 -4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.916 -3.417 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 747 8.355 -3.989 -5.259 1.00 0.00 H new ATOM 419 N GLU A 748 5.886 -4.957 -1.331 1.00 0.00 N ATOM 420 CA GLU A 748 4.970 -5.299 -0.250 1.00 0.00 C ATOM 421 C GLU A 748 4.964 -4.208 0.813 1.00 0.00 C ATOM 422 O GLU A 748 3.909 -3.814 1.310 1.00 0.00 O ATOM 423 CB GLU A 748 5.367 -6.635 0.378 1.00 0.00 C ATOM 424 CG GLU A 748 5.092 -7.833 -0.515 1.00 0.00 C ATOM 425 CD GLU A 748 3.852 -8.599 -0.098 1.00 0.00 C ATOM 426 OE1 GLU A 748 2.741 -8.040 -0.218 1.00 0.00 O ATOM 427 OE2 GLU A 748 3.990 -9.757 0.350 1.00 0.00 O ATOM 0 H GLU A 748 6.667 -5.604 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 748 3.967 -5.386 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.429 -6.611 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.827 -6.760 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 748 4.976 -7.495 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.952 -8.502 -0.494 1.00 0.00 H new ATOM 434 N HIS A 749 6.151 -3.718 1.148 1.00 0.00 N ATOM 435 CA HIS A 749 6.293 -2.662 2.144 1.00 0.00 C ATOM 436 C HIS A 749 5.617 -1.391 1.648 1.00 0.00 C ATOM 437 O HIS A 749 4.804 -0.789 2.349 1.00 0.00 O ATOM 438 CB HIS A 749 7.781 -2.428 2.436 1.00 0.00 C ATOM 439 CG HIS A 749 8.121 -1.047 2.904 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.233 -0.690 4.228 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.404 0.073 2.190 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.576 0.603 4.277 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.693 1.111 3.068 1.00 0.00 N ATOM 0 H HIS A 749 7.032 -4.036 0.744 1.00 0.00 H new ATOM 0 HA HIS A 749 5.807 -2.961 3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.105 -3.143 3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.352 -2.641 1.532 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.082 -1.302 5.030 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.404 0.146 1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.736 1.158 5.190 1.00 0.00 H new ATOM 451 N VAL A 750 5.940 -1.007 0.422 1.00 0.00 N ATOM 452 CA VAL A 750 5.347 0.171 -0.190 1.00 0.00 C ATOM 453 C VAL A 750 3.829 0.023 -0.237 1.00 0.00 C ATOM 454 O VAL A 750 3.088 0.976 0.001 1.00 0.00 O ATOM 455 CB VAL A 750 5.883 0.383 -1.619 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.201 1.566 -2.293 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.392 0.572 -1.599 1.00 0.00 C ATOM 0 H VAL A 750 6.612 -1.496 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 750 5.616 1.037 0.415 1.00 0.00 H new ATOM 0 HB VAL A 750 5.653 -0.510 -2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.600 1.691 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.128 1.384 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.387 2.471 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.754 0.720 -2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.641 1.444 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.864 -0.313 -1.172 1.00 0.00 H new ATOM 467 N GLU A 751 3.378 -1.192 -0.538 1.00 0.00 N ATOM 468 CA GLU A 751 1.953 -1.486 -0.611 1.00 0.00 C ATOM 469 C GLU A 751 1.330 -1.488 0.781 1.00 0.00 C ATOM 470 O GLU A 751 0.143 -1.207 0.940 1.00 0.00 O ATOM 471 CB GLU A 751 1.727 -2.841 -1.283 1.00 0.00 C ATOM 472 CG GLU A 751 1.836 -2.796 -2.799 1.00 0.00 C ATOM 473 CD GLU A 751 1.065 -3.914 -3.472 1.00 0.00 C ATOM 474 OE1 GLU A 751 0.889 -4.978 -2.842 1.00 0.00 O ATOM 475 OE2 GLU A 751 0.636 -3.726 -4.630 1.00 0.00 O ATOM 0 H GLU A 751 3.982 -1.990 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 751 1.474 -0.708 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.454 -3.555 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.739 -3.212 -1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.465 -1.836 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.886 -2.859 -3.086 1.00 0.00 H new ATOM 482 N SER A 752 2.138 -1.805 1.790 1.00 0.00 N ATOM 483 CA SER A 752 1.657 -1.837 3.167 1.00 0.00 C ATOM 484 C SER A 752 1.049 -0.493 3.551 1.00 0.00 C ATOM 485 O SER A 752 0.031 -0.435 4.241 1.00 0.00 O ATOM 486 CB SER A 752 2.801 -2.185 4.122 1.00 0.00 C ATOM 487 OG SER A 752 3.407 -3.415 3.767 1.00 0.00 O ATOM 0 H SER A 752 3.124 -2.042 1.680 1.00 0.00 H new ATOM 0 HA SER A 752 0.887 -2.605 3.244 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.547 -1.391 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 752 2.422 -2.244 5.142 1.00 0.00 H new ATOM 0 HG SER A 752 3.803 -3.339 2.874 1.00 0.00 H new ATOM 493 N HIS A 753 1.679 0.585 3.095 1.00 0.00 N ATOM 494 CA HIS A 753 1.194 1.933 3.388 1.00 0.00 C ATOM 495 C HIS A 753 -0.075 2.247 2.600 1.00 0.00 C ATOM 496 O HIS A 753 -0.868 3.098 3.000 1.00 0.00 O ATOM 497 CB HIS A 753 2.263 2.974 3.055 1.00 0.00 C ATOM 498 CG HIS A 753 3.621 2.644 3.585 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.060 3.001 4.840 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.653 1.985 2.999 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.317 2.562 4.974 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.724 1.937 3.888 1.00 0.00 N ATOM 0 H HIS A 753 2.523 0.554 2.523 1.00 0.00 H new ATOM 0 HA HIS A 753 0.967 1.973 4.453 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.324 3.083 1.972 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.953 3.939 3.456 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.523 3.509 5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.645 1.566 2.004 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.920 2.702 5.859 1.00 0.00 H new ATOM 510 N TRP A 754 -0.258 1.563 1.474 1.00 0.00 N ATOM 511 CA TRP A 754 -1.428 1.780 0.631 1.00 0.00 C ATOM 512 C TRP A 754 -2.705 1.342 1.334 1.00 0.00 C ATOM 513 O TRP A 754 -2.669 0.561 2.286 1.00 0.00 O ATOM 514 CB TRP A 754 -1.287 1.017 -0.686 1.00 0.00 C ATOM 515 CG TRP A 754 -0.360 1.667 -1.665 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.732 2.430 -1.378 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.447 1.608 -3.091 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.330 2.849 -2.542 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.624 2.358 -3.606 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.326 0.992 -3.980 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.838 2.509 -4.974 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.116 1.141 -5.338 1.00 0.00 C ATOM 523 CH2 TRP A 754 -0.040 1.894 -5.823 1.00 0.00 C ATOM 0 H TRP A 754 0.388 0.855 1.125 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.491 2.849 0.427 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.929 0.009 -0.475 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.271 0.916 -1.144 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.076 2.670 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.165 3.432 -2.603 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.157 0.408 -3.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.667 3.090 -5.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.792 0.669 -6.036 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.099 1.991 -6.890 1.00 0.00 H new ATOM 534 N LYS A 755 -3.837 1.835 0.843 1.00 0.00 N ATOM 535 CA LYS A 755 -5.134 1.482 1.405 1.00 0.00 C ATOM 536 C LYS A 755 -5.631 0.195 0.768 1.00 0.00 C ATOM 537 O LYS A 755 -5.851 0.142 -0.437 1.00 0.00 O ATOM 538 CB LYS A 755 -6.139 2.612 1.169 1.00 0.00 C ATOM 539 CG LYS A 755 -6.057 3.725 2.199 1.00 0.00 C ATOM 540 CD LYS A 755 -5.997 5.094 1.539 1.00 0.00 C ATOM 541 CE LYS A 755 -6.575 6.173 2.440 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.725 6.408 3.640 1.00 0.00 N ATOM 0 H LYS A 755 -3.882 2.482 0.055 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.029 1.332 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.973 3.033 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.147 2.197 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.923 3.676 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.174 3.581 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -4.963 5.337 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.548 5.070 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -6.674 7.101 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.577 5.884 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.153 7.151 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -5.651 5.529 4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -4.776 6.709 3.340 1.00 0.00 H new ATOM 556 N VAL A 756 -5.787 -0.853 1.569 1.00 0.00 N ATOM 557 CA VAL A 756 -6.234 -2.134 1.041 1.00 0.00 C ATOM 558 C VAL A 756 -7.516 -2.614 1.699 1.00 0.00 C ATOM 559 O VAL A 756 -7.660 -2.581 2.921 1.00 0.00 O ATOM 560 CB VAL A 756 -5.157 -3.220 1.208 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.564 -4.496 0.486 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.821 -2.720 0.694 1.00 0.00 C ATOM 0 H VAL A 756 -5.613 -0.841 2.574 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.425 -1.968 -0.019 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.058 -3.447 2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.789 -5.251 0.617 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.503 -4.864 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.692 -4.288 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.069 -3.499 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.909 -2.466 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.523 -1.835 1.256 1.00 0.00 H new ATOM 572 N CYS A 757 -8.437 -3.079 0.867 1.00 0.00 N ATOM 573 CA CYS A 757 -9.712 -3.596 1.342 1.00 0.00 C ATOM 574 C CYS A 757 -9.524 -4.997 1.926 1.00 0.00 C ATOM 575 O CYS A 757 -8.917 -5.861 1.292 1.00 0.00 O ATOM 576 CB CYS A 757 -10.723 -3.626 0.196 1.00 0.00 C ATOM 577 SG CYS A 757 -12.404 -4.050 0.708 1.00 0.00 S ATOM 0 H CYS A 757 -8.324 -3.109 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.093 -2.941 2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.737 -2.649 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.389 -4.347 -0.550 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.709 -5.232 0.260 1.00 0.00 H new ATOM 582 N PRO A 758 -10.022 -5.239 3.151 1.00 0.00 N ATOM 583 CA PRO A 758 -9.881 -6.533 3.818 1.00 0.00 C ATOM 584 C PRO A 758 -10.987 -7.527 3.467 1.00 0.00 C ATOM 585 O PRO A 758 -10.921 -8.694 3.853 1.00 0.00 O ATOM 586 CB PRO A 758 -9.966 -6.147 5.292 1.00 0.00 C ATOM 587 CG PRO A 758 -10.895 -4.980 5.321 1.00 0.00 C ATOM 588 CD PRO A 758 -10.740 -4.267 3.998 1.00 0.00 C ATOM 0 HA PRO A 758 -8.964 -7.043 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.345 -6.971 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.986 -5.884 5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.924 -5.309 5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.654 -4.314 6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.708 -4.003 3.571 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.177 -3.340 4.108 1.00 0.00 H new ATOM 596 N MET A 759 -12.005 -7.069 2.746 1.00 0.00 N ATOM 597 CA MET A 759 -13.113 -7.943 2.371 1.00 0.00 C ATOM 598 C MET A 759 -12.824 -8.688 1.071 1.00 0.00 C ATOM 599 O MET A 759 -13.348 -9.779 0.845 1.00 0.00 O ATOM 600 CB MET A 759 -14.402 -7.132 2.239 1.00 0.00 C ATOM 601 CG MET A 759 -14.914 -6.591 3.567 1.00 0.00 C ATOM 602 SD MET A 759 -15.164 -7.885 4.798 1.00 0.00 S ATOM 603 CE MET A 759 -14.979 -6.948 6.312 1.00 0.00 C ATOM 0 H MET A 759 -12.087 -6.109 2.412 1.00 0.00 H new ATOM 0 HA MET A 759 -13.235 -8.685 3.160 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.230 -6.299 1.558 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.172 -7.758 1.789 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.205 -5.860 3.954 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.855 -6.066 3.402 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.699 -7.620 7.124 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.203 -6.194 6.181 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.922 -6.459 6.555 1.00 0.00 H new ATOM 613 N CYS A 760 -11.987 -8.103 0.222 1.00 0.00 N ATOM 614 CA CYS A 760 -11.635 -8.731 -1.050 1.00 0.00 C ATOM 615 C CYS A 760 -10.119 -8.787 -1.246 1.00 0.00 C ATOM 616 O CYS A 760 -9.604 -9.727 -1.853 1.00 0.00 O ATOM 617 CB CYS A 760 -12.282 -7.981 -2.212 1.00 0.00 C ATOM 618 SG CYS A 760 -11.608 -6.328 -2.482 1.00 0.00 S ATOM 0 H CYS A 760 -11.541 -7.201 0.388 1.00 0.00 H new ATOM 0 HA CYS A 760 -12.012 -9.753 -1.028 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.158 -8.566 -3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.353 -7.900 -2.028 1.00 0.00 H new ATOM 0 HG CYS A 760 -11.105 -6.255 -3.678 1.00 0.00 H new ATOM 623 N SER A 761 -9.417 -7.773 -0.728 1.00 0.00 N ATOM 624 CA SER A 761 -7.954 -7.682 -0.830 1.00 0.00 C ATOM 625 C SER A 761 -7.529 -6.822 -2.021 1.00 0.00 C ATOM 626 O SER A 761 -6.594 -7.167 -2.745 1.00 0.00 O ATOM 627 CB SER A 761 -7.307 -9.071 -0.923 1.00 0.00 C ATOM 628 OG SER A 761 -7.203 -9.502 -2.269 1.00 0.00 O ATOM 0 H SER A 761 -9.844 -6.994 -0.227 1.00 0.00 H new ATOM 0 HA SER A 761 -7.602 -7.202 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 761 -6.316 -9.044 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.898 -9.789 -0.354 1.00 0.00 H new ATOM 0 HG SER A 761 -8.098 -9.687 -2.623 1.00 0.00 H new ATOM 634 N GLU A 762 -8.206 -5.693 -2.206 1.00 0.00 N ATOM 635 CA GLU A 762 -7.884 -4.775 -3.296 1.00 0.00 C ATOM 636 C GLU A 762 -6.873 -3.741 -2.830 1.00 0.00 C ATOM 637 O GLU A 762 -6.860 -3.367 -1.657 1.00 0.00 O ATOM 638 CB GLU A 762 -9.150 -4.074 -3.803 1.00 0.00 C ATOM 639 CG GLU A 762 -9.464 -4.364 -5.261 1.00 0.00 C ATOM 640 CD GLU A 762 -9.520 -5.850 -5.562 1.00 0.00 C ATOM 641 OE1 GLU A 762 -10.527 -6.491 -5.195 1.00 0.00 O ATOM 642 OE2 GLU A 762 -8.558 -6.371 -6.164 1.00 0.00 O ATOM 0 H GLU A 762 -8.981 -5.391 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.453 -5.352 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.996 -4.383 -3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.037 -2.998 -3.672 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -10.420 -3.908 -5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -8.707 -3.898 -5.891 1.00 0.00 H new ATOM 649 N GLN A 763 -6.027 -3.274 -3.743 1.00 0.00 N ATOM 650 CA GLN A 763 -5.029 -2.279 -3.381 1.00 0.00 C ATOM 651 C GLN A 763 -5.413 -0.908 -3.920 1.00 0.00 C ATOM 652 O GLN A 763 -5.735 -0.750 -5.097 1.00 0.00 O ATOM 653 CB GLN A 763 -3.658 -2.687 -3.933 1.00 0.00 C ATOM 654 CG GLN A 763 -2.659 -3.083 -2.859 1.00 0.00 C ATOM 655 CD GLN A 763 -2.017 -1.886 -2.187 1.00 0.00 C ATOM 656 OE1 GLN A 763 -2.564 -1.325 -1.239 1.00 0.00 O ATOM 657 NE2 GLN A 763 -0.851 -1.481 -2.680 1.00 0.00 N ATOM 0 H GLN A 763 -6.013 -3.563 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 763 -4.979 -2.223 -2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.788 -3.522 -4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.248 -1.858 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.162 -3.690 -2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -1.882 -3.705 -3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -0.431 -1.975 -3.468 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.376 -0.677 -2.271 1.00 0.00 H new ATOM 666 N PHE A 764 -5.357 0.081 -3.040 1.00 0.00 N ATOM 667 CA PHE A 764 -5.677 1.458 -3.395 1.00 0.00 C ATOM 668 C PHE A 764 -4.473 2.373 -3.169 1.00 0.00 C ATOM 669 O PHE A 764 -3.973 2.474 -2.047 1.00 0.00 O ATOM 670 CB PHE A 764 -6.875 1.953 -2.584 1.00 0.00 C ATOM 671 CG PHE A 764 -8.131 1.176 -2.846 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.398 0.008 -2.149 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.044 1.608 -3.794 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.551 -0.711 -2.390 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.199 0.892 -4.042 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.452 -0.270 -3.339 1.00 0.00 C ATOM 0 H PHE A 764 -5.090 -0.046 -2.064 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.934 1.484 -4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.635 1.895 -1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.051 3.004 -2.814 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.695 -0.344 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.850 2.516 -4.346 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.748 -1.617 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.903 1.240 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.353 -0.833 -3.531 1.00 0.00 H new ATOM 686 N PRO A 765 -3.990 3.060 -4.219 1.00 0.00 N ATOM 687 CA PRO A 765 -2.845 3.967 -4.096 1.00 0.00 C ATOM 688 C PRO A 765 -3.104 5.074 -3.076 1.00 0.00 C ATOM 689 O PRO A 765 -4.254 5.394 -2.776 1.00 0.00 O ATOM 690 CB PRO A 765 -2.697 4.561 -5.501 1.00 0.00 C ATOM 691 CG PRO A 765 -3.375 3.584 -6.398 1.00 0.00 C ATOM 692 CD PRO A 765 -4.511 3.017 -5.596 1.00 0.00 C ATOM 0 HA PRO A 765 -1.951 3.450 -3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.160 5.545 -5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.648 4.684 -5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.739 4.070 -7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.688 2.799 -6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.419 3.611 -5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.756 2.001 -5.904 1.00 0.00 H new ATOM 700 N PRO A 766 -2.035 5.671 -2.526 1.00 0.00 N ATOM 701 CA PRO A 766 -2.155 6.743 -1.533 1.00 0.00 C ATOM 702 C PRO A 766 -2.853 7.977 -2.095 1.00 0.00 C ATOM 703 O PRO A 766 -3.466 8.746 -1.356 1.00 0.00 O ATOM 704 CB PRO A 766 -0.702 7.067 -1.166 1.00 0.00 C ATOM 705 CG PRO A 766 0.108 6.549 -2.304 1.00 0.00 C ATOM 706 CD PRO A 766 -0.631 5.352 -2.825 1.00 0.00 C ATOM 0 HA PRO A 766 -2.760 6.437 -0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.558 8.139 -1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.416 6.590 -0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.220 7.306 -3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.111 6.276 -1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.468 5.211 -3.894 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.312 4.435 -2.331 1.00 0.00 H new ATOM 714 N ASP A 767 -2.757 8.158 -3.408 1.00 0.00 N ATOM 715 CA ASP A 767 -3.383 9.298 -4.068 1.00 0.00 C ATOM 716 C ASP A 767 -4.866 9.036 -4.330 1.00 0.00 C ATOM 717 O ASP A 767 -5.615 9.950 -4.674 1.00 0.00 O ATOM 718 CB ASP A 767 -2.668 9.605 -5.385 1.00 0.00 C ATOM 719 CG ASP A 767 -3.040 10.964 -5.943 1.00 0.00 C ATOM 720 OD1 ASP A 767 -3.072 11.938 -5.162 1.00 0.00 O ATOM 721 OD2 ASP A 767 -3.301 11.054 -7.162 1.00 0.00 O ATOM 0 H ASP A 767 -2.253 7.531 -4.035 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.299 10.159 -3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -1.590 9.563 -5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -2.914 8.835 -6.117 1.00 0.00 H new ATOM 726 N TYR A 768 -5.283 7.782 -4.168 1.00 0.00 N ATOM 727 CA TYR A 768 -6.674 7.405 -4.387 1.00 0.00 C ATOM 728 C TYR A 768 -7.601 8.170 -3.450 1.00 0.00 C ATOM 729 O TYR A 768 -7.203 8.570 -2.355 1.00 0.00 O ATOM 730 CB TYR A 768 -6.852 5.900 -4.176 1.00 0.00 C ATOM 731 CG TYR A 768 -7.922 5.288 -5.053 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.678 5.016 -6.393 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.176 4.984 -4.538 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.653 4.457 -7.197 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.156 4.423 -5.336 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.890 4.163 -6.664 1.00 0.00 C ATOM 737 OH TYR A 768 -10.864 3.606 -7.460 1.00 0.00 O ATOM 0 H TYR A 768 -4.677 7.012 -3.886 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.935 7.659 -5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.904 5.399 -4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.101 5.715 -3.131 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.710 5.245 -6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.388 5.189 -3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.447 4.252 -8.237 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.125 4.189 -4.921 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.676 3.460 -6.930 1.00 0.00 H new ATOM 747 N ASP A 769 -8.841 8.366 -3.884 1.00 0.00 N ATOM 748 CA ASP A 769 -9.826 9.078 -3.080 1.00 0.00 C ATOM 749 C ASP A 769 -10.391 8.169 -1.993 1.00 0.00 C ATOM 750 O ASP A 769 -10.961 7.118 -2.284 1.00 0.00 O ATOM 751 CB ASP A 769 -10.959 9.599 -3.967 1.00 0.00 C ATOM 752 CG ASP A 769 -10.736 11.033 -4.406 1.00 0.00 C ATOM 753 OD1 ASP A 769 -9.827 11.268 -5.228 1.00 0.00 O ATOM 754 OD2 ASP A 769 -11.473 11.922 -3.928 1.00 0.00 O ATOM 0 H ASP A 769 -9.187 8.042 -4.787 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.331 9.924 -2.604 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -11.050 8.962 -4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.902 9.530 -3.425 1.00 0.00 H new ATOM 759 N GLN A 770 -10.224 8.579 -0.740 1.00 0.00 N ATOM 760 CA GLN A 770 -10.715 7.798 0.391 1.00 0.00 C ATOM 761 C GLN A 770 -12.211 7.530 0.265 1.00 0.00 C ATOM 762 O GLN A 770 -12.698 6.478 0.678 1.00 0.00 O ATOM 763 CB GLN A 770 -10.424 8.526 1.705 1.00 0.00 C ATOM 764 CG GLN A 770 -9.078 8.167 2.314 1.00 0.00 C ATOM 765 CD GLN A 770 -9.200 7.603 3.716 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.741 8.209 4.684 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.823 6.436 3.832 1.00 0.00 N ATOM 0 H GLN A 770 -9.753 9.446 -0.482 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.194 6.841 0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -10.459 9.601 1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.211 8.293 2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -8.578 7.438 1.676 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -8.447 9.055 2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.188 5.968 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -9.936 6.007 4.751 1.00 0.00 H new ATOM 776 N GLN A 771 -12.934 8.485 -0.310 1.00 0.00 N ATOM 777 CA GLN A 771 -14.374 8.343 -0.489 1.00 0.00 C ATOM 778 C GLN A 771 -14.686 7.135 -1.365 1.00 0.00 C ATOM 779 O GLN A 771 -15.559 6.328 -1.042 1.00 0.00 O ATOM 780 CB GLN A 771 -14.961 9.609 -1.116 1.00 0.00 C ATOM 781 CG GLN A 771 -16.430 9.823 -0.793 1.00 0.00 C ATOM 782 CD GLN A 771 -16.759 11.274 -0.504 1.00 0.00 C ATOM 783 OE1 GLN A 771 -16.229 12.182 -1.145 1.00 0.00 O ATOM 784 NE2 GLN A 771 -17.636 11.500 0.467 1.00 0.00 N ATOM 0 H GLN A 771 -12.548 9.362 -0.659 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.828 8.192 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.392 10.472 -0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -14.839 9.559 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -17.036 9.477 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -16.701 9.214 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -18.051 10.717 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -17.895 12.457 0.708 1.00 0.00 H new ATOM 793 N VAL A 772 -13.957 7.009 -2.469 1.00 0.00 N ATOM 794 CA VAL A 772 -14.149 5.893 -3.383 1.00 0.00 C ATOM 795 C VAL A 772 -13.765 4.582 -2.711 1.00 0.00 C ATOM 796 O VAL A 772 -14.473 3.581 -2.823 1.00 0.00 O ATOM 797 CB VAL A 772 -13.318 6.062 -4.669 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.667 4.982 -5.680 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.530 7.447 -5.263 1.00 0.00 C ATOM 0 H VAL A 772 -13.229 7.666 -2.751 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.205 5.875 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.264 5.958 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -13.069 5.120 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.458 4.002 -5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.725 5.049 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.935 7.548 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.585 7.582 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.222 8.203 -4.541 1.00 0.00 H new ATOM 809 N PHE A 773 -12.643 4.600 -1.999 1.00 0.00 N ATOM 810 CA PHE A 773 -12.167 3.419 -1.295 1.00 0.00 C ATOM 811 C PHE A 773 -13.193 2.975 -0.258 1.00 0.00 C ATOM 812 O PHE A 773 -13.598 1.814 -0.228 1.00 0.00 O ATOM 813 CB PHE A 773 -10.824 3.706 -0.616 1.00 0.00 C ATOM 814 CG PHE A 773 -10.388 2.626 0.334 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.384 1.297 -0.060 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.990 2.942 1.622 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.989 0.304 0.815 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.596 1.952 2.502 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.595 0.631 2.098 1.00 0.00 C ATOM 0 H PHE A 773 -12.047 5.421 -1.895 1.00 0.00 H new ATOM 0 HA PHE A 773 -12.027 2.617 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -10.059 3.835 -1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.895 4.649 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.693 1.035 -1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.987 3.973 1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.988 -0.728 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.289 2.211 3.505 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.287 -0.144 2.784 1.00 0.00 H new ATOM 829 N GLU A 774 -13.613 3.912 0.587 1.00 0.00 N ATOM 830 CA GLU A 774 -14.596 3.620 1.623 1.00 0.00 C ATOM 831 C GLU A 774 -15.856 3.019 1.008 1.00 0.00 C ATOM 832 O GLU A 774 -16.453 2.100 1.566 1.00 0.00 O ATOM 833 CB GLU A 774 -14.946 4.889 2.402 1.00 0.00 C ATOM 834 CG GLU A 774 -14.046 5.133 3.601 1.00 0.00 C ATOM 835 CD GLU A 774 -14.638 4.601 4.892 1.00 0.00 C ATOM 836 OE1 GLU A 774 -15.882 4.580 5.011 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.858 4.204 5.783 1.00 0.00 O ATOM 0 H GLU A 774 -13.288 4.879 0.574 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.162 2.895 2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.884 5.746 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.980 4.824 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.079 4.661 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.864 6.203 3.703 1.00 0.00 H new ATOM 844 N ARG A 775 -16.246 3.539 -0.152 1.00 0.00 N ATOM 845 CA ARG A 775 -17.426 3.042 -0.849 1.00 0.00 C ATOM 846 C ARG A 775 -17.221 1.589 -1.263 1.00 0.00 C ATOM 847 O ARG A 775 -18.136 0.769 -1.178 1.00 0.00 O ATOM 848 CB ARG A 775 -17.720 3.898 -2.082 1.00 0.00 C ATOM 849 CG ARG A 775 -18.332 5.251 -1.755 1.00 0.00 C ATOM 850 CD ARG A 775 -18.474 6.115 -2.997 1.00 0.00 C ATOM 851 NE ARG A 775 -19.770 5.935 -3.648 1.00 0.00 N ATOM 852 CZ ARG A 775 -20.025 4.991 -4.552 1.00 0.00 C ATOM 853 NH1 ARG A 775 -19.079 4.135 -4.917 1.00 0.00 N ATOM 854 NH2 ARG A 775 -21.232 4.902 -5.091 1.00 0.00 N ATOM 0 H ARG A 775 -15.764 4.302 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.277 3.101 -0.170 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -16.794 4.052 -2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -18.397 3.352 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -19.311 5.107 -1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -17.710 5.765 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.348 7.163 -2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -17.678 5.870 -3.701 1.00 0.00 H new ATOM 0 HE ARG A 775 -20.526 6.572 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -18.148 4.197 -4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -19.283 3.415 -5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -21.964 5.556 -4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -21.429 4.180 -5.784 1.00 0.00 H new ATOM 868 N HIS A 776 -16.008 1.280 -1.711 1.00 0.00 N ATOM 869 CA HIS A 776 -15.666 -0.071 -2.139 1.00 0.00 C ATOM 870 C HIS A 776 -15.630 -1.025 -0.949 1.00 0.00 C ATOM 871 O HIS A 776 -16.207 -2.110 -0.994 1.00 0.00 O ATOM 872 CB HIS A 776 -14.314 -0.064 -2.857 1.00 0.00 C ATOM 873 CG HIS A 776 -13.627 -1.396 -2.883 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.697 -2.276 -3.938 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.835 -1.989 -1.952 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.962 -3.350 -3.625 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.417 -3.222 -2.432 1.00 0.00 N ATOM 0 H HIS A 776 -15.243 1.950 -1.787 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.434 -0.420 -2.829 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.461 0.277 -3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.660 0.660 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.573 -1.568 -0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.833 -4.209 -4.266 1.00 0.00 H new ATOM 0 HE2 HIS A 776 -11.812 -3.892 -1.958 1.00 0.00 H new ATOM 885 N VAL A 777 -14.953 -0.618 0.119 1.00 0.00 N ATOM 886 CA VAL A 777 -14.865 -1.452 1.309 1.00 0.00 C ATOM 887 C VAL A 777 -16.244 -1.611 1.933 1.00 0.00 C ATOM 888 O VAL A 777 -16.626 -2.699 2.362 1.00 0.00 O ATOM 889 CB VAL A 777 -13.902 -0.881 2.367 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.352 -1.998 3.238 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.768 -0.105 1.719 1.00 0.00 C ATOM 0 H VAL A 777 -14.463 0.274 0.185 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.473 -2.417 0.988 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.464 -0.189 2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.673 -1.579 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.175 -2.504 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.813 -2.713 2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.106 0.285 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.206 -0.766 1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.178 0.723 1.140 1.00 0.00 H new ATOM 901 N GLN A 778 -16.993 -0.512 1.960 1.00 0.00 N ATOM 902 CA GLN A 778 -18.342 -0.518 2.508 1.00 0.00 C ATOM 903 C GLN A 778 -19.244 -1.407 1.662 1.00 0.00 C ATOM 904 O GLN A 778 -20.176 -2.031 2.169 1.00 0.00 O ATOM 905 CB GLN A 778 -18.904 0.905 2.557 1.00 0.00 C ATOM 906 CG GLN A 778 -18.383 1.725 3.725 1.00 0.00 C ATOM 907 CD GLN A 778 -18.935 1.257 5.057 1.00 0.00 C ATOM 908 OE1 GLN A 778 -20.118 0.940 5.175 1.00 0.00 O ATOM 909 NE2 GLN A 778 -18.076 1.211 6.068 1.00 0.00 N ATOM 0 H GLN A 778 -16.686 0.395 1.608 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.305 -0.913 3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.657 1.416 1.626 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.991 0.855 2.615 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.295 1.669 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.645 2.772 3.575 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -17.104 1.483 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.388 0.903 6.989 1.00 0.00 H new ATOM 918 N THR A 779 -18.944 -1.467 0.369 1.00 0.00 N ATOM 919 CA THR A 779 -19.708 -2.288 -0.559 1.00 0.00 C ATOM 920 C THR A 779 -19.664 -3.752 -0.131 1.00 0.00 C ATOM 921 O THR A 779 -20.568 -4.529 -0.438 1.00 0.00 O ATOM 922 CB THR A 779 -19.161 -2.115 -1.983 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.578 -0.877 -2.530 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.585 -3.203 -2.946 1.00 0.00 C ATOM 0 H THR A 779 -18.174 -0.954 -0.060 1.00 0.00 H new ATOM 0 HA THR A 779 -20.749 -1.965 -0.548 1.00 0.00 H new ATOM 0 HB THR A 779 -18.078 -2.165 -1.873 1.00 0.00 H new ATOM 0 HG1 THR A 779 -18.978 -0.165 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.157 -3.006 -3.929 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.232 -4.168 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.672 -3.219 -3.021 1.00 0.00 H new ATOM 932 N HIS A 780 -18.605 -4.118 0.586 1.00 0.00 N ATOM 933 CA HIS A 780 -18.437 -5.483 1.067 1.00 0.00 C ATOM 934 C HIS A 780 -19.160 -5.686 2.395 1.00 0.00 C ATOM 935 O HIS A 780 -19.621 -6.787 2.701 1.00 0.00 O ATOM 936 CB HIS A 780 -16.952 -5.797 1.236 1.00 0.00 C ATOM 937 CG HIS A 780 -16.182 -5.763 -0.045 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.240 -6.755 -0.999 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.322 -4.829 -0.527 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.432 -6.402 -2.006 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.854 -5.240 -1.770 1.00 0.00 N ATOM 0 H HIS A 780 -17.849 -3.485 0.847 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.870 -6.160 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.515 -5.081 1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.847 -6.784 1.687 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.799 -7.607 -0.947 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.046 -3.913 -0.025 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.274 -6.992 -2.897 1.00 0.00 H new ATOM 949 N PHE A 781 -19.254 -4.619 3.182 1.00 0.00 N ATOM 950 CA PHE A 781 -19.918 -4.678 4.479 1.00 0.00 C ATOM 951 C PHE A 781 -21.431 -4.822 4.323 1.00 0.00 C ATOM 952 O PHE A 781 -22.127 -5.192 5.267 1.00 0.00 O ATOM 953 CB PHE A 781 -19.596 -3.425 5.298 1.00 0.00 C ATOM 954 CG PHE A 781 -18.123 -3.139 5.424 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.183 -4.150 5.281 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.680 -1.853 5.686 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.833 -3.881 5.397 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.332 -1.579 5.803 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.406 -2.593 5.658 1.00 0.00 C ATOM 0 H PHE A 781 -18.878 -3.701 2.943 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.545 -5.557 5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.084 -2.566 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -20.021 -3.536 6.296 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.511 -5.159 5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.398 -1.055 5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.112 -4.677 5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -16.002 -0.571 6.008 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.351 -2.380 5.748 1.00 0.00 H new ATOM 969 N ASP A 782 -21.935 -4.529 3.126 1.00 0.00 N ATOM 970 CA ASP A 782 -23.365 -4.628 2.857 1.00 0.00 C ATOM 971 C ASP A 782 -23.714 -5.976 2.227 1.00 0.00 C ATOM 972 O ASP A 782 -24.725 -6.104 1.538 1.00 0.00 O ATOM 973 CB ASP A 782 -23.810 -3.491 1.935 1.00 0.00 C ATOM 974 CG ASP A 782 -25.109 -2.855 2.388 1.00 0.00 C ATOM 975 OD1 ASP A 782 -25.925 -3.557 3.020 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.311 -1.653 2.109 1.00 0.00 O ATOM 0 H ASP A 782 -21.375 -4.222 2.330 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.893 -4.547 3.807 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.030 -2.731 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.930 -3.874 0.922 1.00 0.00 H new