USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=16 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= -7.15! USER MOD Set 1.2: A 760 CYS SG : rot 163:sc= -2.07 USER MOD Set 1.3: A 776 HIS : no HD1:sc= -2.36 K(o=-16,f=-19) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.39 K(o=-16,f=-15) USER MOD Set 2.1: A 755 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 770 GLN : amide:sc= -2.13 X(o=-2.1,f=-2.2) USER MOD Set 3.1: A 730 CYS SG : rot 40:sc= -1.78 USER MOD Set 3.2: A 733 CYS SG : rot -101:sc= -1.41 USER MOD Set 3.3: A 749 HIS : no HE2:sc= -4.75! C(o=-9.6!,f=-17!) USER MOD Set 3.4: A 753 HIS : no HE2:sc= -1.68 K(o=-9.6,f=-14!) USER MOD Single : A 727 HIS : no HD1:sc= -4.54! K(o=-4.5!,f=-2.5) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ -161:sc= -0.0019 (180deg=-0.595) USER MOD Single : A 736 MET CE :methyl -126:sc= -1.97 (180deg=-5.49!) USER MOD Single : A 740 ASN : amide:sc= -0.126 K(o=-0.13,f=-2!) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.724 USER MOD Single : A 743 GLN : amide:sc= -0.009 X(o=-0.009,f=0) USER MOD Single : A 744 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 745 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 759 MET CE :methyl -153:sc= -0.48 (180deg=-2.21!) USER MOD Single : A 761 SER OG : rot -54:sc= 0.233 USER MOD Single : A 763 GLN : amide:sc= -2.12! K(o=-2.1!,f=-0.95) USER MOD Single : A 768 TYR OH : rot 165:sc= 0 USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 778 GLN : amide:sc= -2.83 K(o=-2.8,f=-1.4) USER MOD Single : A 779 THR OG1 : rot 53:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.610 2.428 -1.268 1.00 0.00 N ATOM 74 CA HIS A 727 19.548 2.048 -0.345 1.00 0.00 C ATOM 75 C HIS A 727 18.179 2.430 -0.901 1.00 0.00 C ATOM 76 O HIS A 727 17.997 3.526 -1.432 1.00 0.00 O ATOM 77 CB HIS A 727 19.762 2.714 1.015 1.00 0.00 C ATOM 78 CG HIS A 727 20.571 1.887 1.964 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.209 2.414 3.068 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.844 0.562 1.972 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.838 1.447 3.713 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.632 0.314 3.068 1.00 0.00 N ATOM 0 HA HIS A 727 19.580 0.966 -0.221 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.259 3.673 0.867 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.791 2.924 1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.505 -0.166 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.421 1.564 4.614 1.00 0.00 H new ATOM 0 HE2 HIS A 727 21.999 -0.598 3.340 1.00 0.00 H new ATOM 91 N LYS A 728 17.218 1.521 -0.772 1.00 0.00 N ATOM 92 CA LYS A 728 15.865 1.763 -1.258 1.00 0.00 C ATOM 93 C LYS A 728 15.025 2.463 -0.195 1.00 0.00 C ATOM 94 O LYS A 728 14.763 1.904 0.870 1.00 0.00 O ATOM 95 CB LYS A 728 15.202 0.446 -1.664 1.00 0.00 C ATOM 96 CG LYS A 728 15.668 -0.080 -3.012 1.00 0.00 C ATOM 97 CD LYS A 728 14.671 -1.067 -3.602 1.00 0.00 C ATOM 98 CE LYS A 728 13.931 -0.470 -4.789 1.00 0.00 C ATOM 99 NZ LYS A 728 14.516 -0.909 -6.086 1.00 0.00 N ATOM 0 H LYS A 728 17.352 0.609 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 728 15.929 2.412 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.406 -0.304 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.121 0.586 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.807 0.754 -3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.638 -0.565 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 728 15.194 -1.971 -3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 728 13.954 -1.363 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 728 12.882 -0.762 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 728 13.962 0.618 -4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 13.983 -0.480 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 15.510 -0.608 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 14.463 -1.945 -6.158 1.00 0.00 H new ATOM 113 N LYS A 729 14.607 3.689 -0.490 1.00 0.00 N ATOM 114 CA LYS A 729 13.799 4.466 0.443 1.00 0.00 C ATOM 115 C LYS A 729 12.368 4.612 -0.065 1.00 0.00 C ATOM 116 O LYS A 729 12.134 5.159 -1.143 1.00 0.00 O ATOM 117 CB LYS A 729 14.418 5.848 0.659 1.00 0.00 C ATOM 118 CG LYS A 729 15.486 5.874 1.739 1.00 0.00 C ATOM 119 CD LYS A 729 15.723 7.285 2.254 1.00 0.00 C ATOM 120 CE LYS A 729 14.897 7.572 3.498 1.00 0.00 C ATOM 121 NZ LYS A 729 13.701 8.403 3.190 1.00 0.00 N ATOM 0 H LYS A 729 14.814 4.166 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 729 13.775 3.933 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 729 14.853 6.193 -0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.629 6.553 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 729 15.185 5.230 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 729 16.417 5.469 1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 729 16.781 7.418 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 729 15.471 8.005 1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 729 14.580 6.631 3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 729 15.516 8.085 4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 13.349 8.842 4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 13.960 9.145 2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 12.957 7.802 2.781 1.00 0.00 H new ATOM 135 N CYS A 730 11.413 4.126 0.722 1.00 0.00 N ATOM 136 CA CYS A 730 10.005 4.206 0.355 1.00 0.00 C ATOM 137 C CYS A 730 9.492 5.639 0.510 1.00 0.00 C ATOM 138 O CYS A 730 9.545 6.207 1.600 1.00 0.00 O ATOM 139 CB CYS A 730 9.179 3.248 1.217 1.00 0.00 C ATOM 140 SG CYS A 730 7.391 3.396 0.993 1.00 0.00 S ATOM 0 H CYS A 730 11.590 3.672 1.618 1.00 0.00 H new ATOM 0 HA CYS A 730 9.901 3.914 -0.690 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.478 2.225 0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.418 3.425 2.266 1.00 0.00 H new ATOM 0 HG CYS A 730 7.125 3.573 -0.267 1.00 0.00 H new ATOM 145 N PRO A 731 8.998 6.249 -0.583 1.00 0.00 N ATOM 146 CA PRO A 731 8.492 7.627 -0.558 1.00 0.00 C ATOM 147 C PRO A 731 7.368 7.834 0.455 1.00 0.00 C ATOM 148 O PRO A 731 7.167 8.942 0.951 1.00 0.00 O ATOM 149 CB PRO A 731 7.970 7.848 -1.981 1.00 0.00 C ATOM 150 CG PRO A 731 8.691 6.849 -2.816 1.00 0.00 C ATOM 151 CD PRO A 731 8.909 5.656 -1.930 1.00 0.00 C ATOM 0 HA PRO A 731 9.271 8.328 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.891 7.701 -2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 731 8.170 8.864 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 731 8.107 6.581 -3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 731 9.640 7.250 -3.173 1.00 0.00 H new ATOM 0 HD2 PRO A 731 8.087 4.944 -2.003 1.00 0.00 H new ATOM 0 HD3 PRO A 731 9.820 5.119 -2.195 1.00 0.00 H new ATOM 159 N LEU A 732 6.629 6.770 0.746 1.00 0.00 N ATOM 160 CA LEU A 732 5.517 6.848 1.690 1.00 0.00 C ATOM 161 C LEU A 732 6.004 7.015 3.126 1.00 0.00 C ATOM 162 O LEU A 732 5.275 7.517 3.981 1.00 0.00 O ATOM 163 CB LEU A 732 4.640 5.601 1.577 1.00 0.00 C ATOM 164 CG LEU A 732 3.900 5.460 0.247 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.683 3.994 -0.099 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.576 6.203 0.304 1.00 0.00 C ATOM 0 H LEU A 732 6.778 5.845 0.344 1.00 0.00 H new ATOM 0 HA LEU A 732 4.929 7.729 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.264 4.720 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.908 5.613 2.385 1.00 0.00 H new ATOM 0 HG LEU A 732 4.512 5.902 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.155 3.919 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.647 3.493 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.091 3.519 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 732 2.057 6.096 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.960 5.788 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.760 7.259 0.500 1.00 0.00 H new ATOM 178 N CYS A 733 7.235 6.591 3.392 1.00 0.00 N ATOM 179 CA CYS A 733 7.801 6.699 4.731 1.00 0.00 C ATOM 180 C CYS A 733 9.260 7.149 4.675 1.00 0.00 C ATOM 181 O CYS A 733 9.746 7.580 3.629 1.00 0.00 O ATOM 182 CB CYS A 733 7.690 5.357 5.457 1.00 0.00 C ATOM 183 SG CYS A 733 8.684 4.038 4.723 1.00 0.00 S ATOM 0 H CYS A 733 7.857 6.171 2.701 1.00 0.00 H new ATOM 0 HA CYS A 733 7.235 7.451 5.281 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.993 5.491 6.495 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.645 5.047 5.468 1.00 0.00 H new ATOM 0 HG CYS A 733 7.919 3.261 4.015 1.00 0.00 H new ATOM 188 N GLU A 734 9.952 7.048 5.805 1.00 0.00 N ATOM 189 CA GLU A 734 11.353 7.445 5.881 1.00 0.00 C ATOM 190 C GLU A 734 12.227 6.271 6.314 1.00 0.00 C ATOM 191 O GLU A 734 13.173 6.439 7.083 1.00 0.00 O ATOM 192 CB GLU A 734 11.521 8.609 6.859 1.00 0.00 C ATOM 193 CG GLU A 734 10.588 9.776 6.581 1.00 0.00 C ATOM 194 CD GLU A 734 10.719 10.884 7.608 1.00 0.00 C ATOM 195 OE1 GLU A 734 10.284 10.680 8.761 1.00 0.00 O ATOM 196 OE2 GLU A 734 11.257 11.956 7.259 1.00 0.00 O ATOM 0 H GLU A 734 9.566 6.695 6.680 1.00 0.00 H new ATOM 0 HA GLU A 734 11.670 7.765 4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 734 11.347 8.249 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.552 8.961 6.818 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.799 10.177 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.559 9.418 6.567 1.00 0.00 H new ATOM 203 N LEU A 735 11.904 5.084 5.812 1.00 0.00 N ATOM 204 CA LEU A 735 12.659 3.883 6.147 1.00 0.00 C ATOM 205 C LEU A 735 13.669 3.550 5.053 1.00 0.00 C ATOM 206 O LEU A 735 13.367 3.648 3.864 1.00 0.00 O ATOM 207 CB LEU A 735 11.709 2.700 6.357 1.00 0.00 C ATOM 208 CG LEU A 735 12.053 1.797 7.542 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.114 2.606 8.829 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.037 0.670 7.665 1.00 0.00 C ATOM 0 H LEU A 735 11.125 4.928 5.172 1.00 0.00 H new ATOM 0 HA LEU A 735 13.203 4.073 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.699 3.085 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.699 2.096 5.450 1.00 0.00 H new ATOM 0 HG LEU A 735 13.035 1.357 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.360 1.947 9.662 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.879 3.377 8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.147 3.074 9.011 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.297 0.037 8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.043 1.091 7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.042 0.074 6.752 1.00 0.00 H new ATOM 222 N MET A 736 14.870 3.154 5.465 1.00 0.00 N ATOM 223 CA MET A 736 15.924 2.803 4.521 1.00 0.00 C ATOM 224 C MET A 736 16.076 1.289 4.419 1.00 0.00 C ATOM 225 O MET A 736 16.132 0.592 5.432 1.00 0.00 O ATOM 226 CB MET A 736 17.250 3.433 4.948 1.00 0.00 C ATOM 227 CG MET A 736 17.143 4.913 5.277 1.00 0.00 C ATOM 228 SD MET A 736 18.710 5.784 5.076 1.00 0.00 S ATOM 229 CE MET A 736 18.746 6.009 3.299 1.00 0.00 C ATOM 0 H MET A 736 15.137 3.068 6.446 1.00 0.00 H new ATOM 0 HA MET A 736 15.646 3.190 3.541 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.630 2.902 5.821 1.00 0.00 H new ATOM 0 HB3 MET A 736 17.980 3.299 4.150 1.00 0.00 H new ATOM 0 HG2 MET A 736 16.392 5.371 4.633 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.796 5.029 6.304 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.679 5.610 2.900 1.00 0.00 H new ATOM 0 HE2 MET A 736 17.904 5.483 2.849 1.00 0.00 H new ATOM 0 HE3 MET A 736 18.677 7.071 3.065 1.00 0.00 H new ATOM 239 N PHE A 737 16.137 0.786 3.190 1.00 0.00 N ATOM 240 CA PHE A 737 16.278 -0.648 2.960 1.00 0.00 C ATOM 241 C PHE A 737 17.649 -0.974 2.368 1.00 0.00 C ATOM 242 O PHE A 737 18.179 -0.217 1.555 1.00 0.00 O ATOM 243 CB PHE A 737 15.168 -1.146 2.031 1.00 0.00 C ATOM 244 CG PHE A 737 13.797 -1.092 2.650 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.608 -1.443 3.978 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.700 -0.690 1.905 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.351 -1.395 4.550 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.440 -0.641 2.471 1.00 0.00 C ATOM 249 CZ PHE A 737 11.266 -0.993 3.796 1.00 0.00 C ATOM 0 H PHE A 737 16.091 1.348 2.340 1.00 0.00 H new ATOM 0 HA PHE A 737 16.192 -1.158 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.171 -0.546 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.385 -2.173 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.453 -1.758 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 737 12.831 -0.412 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.217 -1.672 5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.593 -0.328 1.879 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.283 -0.954 4.241 1.00 0.00 H new ATOM 259 N PRO A 738 18.245 -2.110 2.775 1.00 0.00 N ATOM 260 CA PRO A 738 19.563 -2.535 2.285 1.00 0.00 C ATOM 261 C PRO A 738 19.568 -2.810 0.783 1.00 0.00 C ATOM 262 O PRO A 738 18.529 -3.106 0.194 1.00 0.00 O ATOM 263 CB PRO A 738 19.843 -3.825 3.065 1.00 0.00 C ATOM 264 CG PRO A 738 18.506 -4.304 3.513 1.00 0.00 C ATOM 265 CD PRO A 738 17.684 -3.069 3.743 1.00 0.00 C ATOM 0 HA PRO A 738 20.315 -1.761 2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.337 -4.566 2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.500 -3.638 3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.047 -4.944 2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 738 18.588 -4.895 4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.624 -3.251 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 738 17.776 -2.708 4.767 1.00 0.00 H new ATOM 273 N PRO A 739 20.749 -2.719 0.145 1.00 0.00 N ATOM 274 CA PRO A 739 20.891 -2.963 -1.296 1.00 0.00 C ATOM 275 C PRO A 739 20.493 -4.383 -1.681 1.00 0.00 C ATOM 276 O PRO A 739 20.105 -4.642 -2.821 1.00 0.00 O ATOM 277 CB PRO A 739 22.385 -2.735 -1.561 1.00 0.00 C ATOM 278 CG PRO A 739 23.041 -2.866 -0.229 1.00 0.00 C ATOM 279 CD PRO A 739 22.035 -2.378 0.774 1.00 0.00 C ATOM 0 HA PRO A 739 20.242 -2.313 -1.882 1.00 0.00 H new ATOM 0 HB2 PRO A 739 22.776 -3.468 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.563 -1.750 -1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.320 -3.901 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 739 23.956 -2.275 -0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.156 -2.870 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.127 -1.306 0.949 1.00 0.00 H new ATOM 287 N ASN A 740 20.586 -5.301 -0.723 1.00 0.00 N ATOM 288 CA ASN A 740 20.229 -6.695 -0.963 1.00 0.00 C ATOM 289 C ASN A 740 18.761 -6.953 -0.630 1.00 0.00 C ATOM 290 O ASN A 740 18.330 -8.102 -0.538 1.00 0.00 O ATOM 291 CB ASN A 740 21.121 -7.620 -0.131 1.00 0.00 C ATOM 292 CG ASN A 740 21.470 -8.900 -0.864 1.00 0.00 C ATOM 293 OD1 ASN A 740 20.966 -9.160 -1.957 1.00 0.00 O ATOM 294 ND2 ASN A 740 22.336 -9.708 -0.265 1.00 0.00 N ATOM 0 H ASN A 740 20.905 -5.105 0.226 1.00 0.00 H new ATOM 0 HA ASN A 740 20.382 -6.904 -2.022 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.039 -7.094 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 740 20.614 -7.866 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 740 22.608 -10.584 -0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 740 22.729 -9.453 0.641 1.00 0.00 H new ATOM 301 N TYR A 741 17.995 -5.879 -0.453 1.00 0.00 N ATOM 302 CA TYR A 741 16.578 -5.993 -0.133 1.00 0.00 C ATOM 303 C TYR A 741 15.774 -6.395 -1.365 1.00 0.00 C ATOM 304 O TYR A 741 15.953 -5.833 -2.445 1.00 0.00 O ATOM 305 CB TYR A 741 16.057 -4.665 0.421 1.00 0.00 C ATOM 306 CG TYR A 741 14.672 -4.755 1.021 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.542 -4.558 0.239 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.496 -5.033 2.371 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.275 -4.635 0.784 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.231 -5.112 2.923 1.00 0.00 C ATOM 311 CZ TYR A 741 12.125 -4.913 2.126 1.00 0.00 C ATOM 312 OH TYR A 741 10.864 -4.990 2.672 1.00 0.00 O ATOM 0 H TYR A 741 18.334 -4.920 -0.526 1.00 0.00 H new ATOM 0 HA TYR A 741 16.459 -6.769 0.623 1.00 0.00 H new ATOM 0 HB2 TYR A 741 16.749 -4.303 1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.048 -3.926 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.655 -4.341 -0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.361 -5.190 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.406 -4.478 0.162 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.110 -5.329 3.974 1.00 0.00 H new ATOM 0 HH TYR A 741 10.933 -5.194 3.628 1.00 0.00 H new ATOM 322 N ASP A 742 14.889 -7.372 -1.196 1.00 0.00 N ATOM 323 CA ASP A 742 14.060 -7.849 -2.297 1.00 0.00 C ATOM 324 C ASP A 742 13.057 -6.781 -2.723 1.00 0.00 C ATOM 325 O ASP A 742 12.338 -6.225 -1.893 1.00 0.00 O ATOM 326 CB ASP A 742 13.323 -9.128 -1.891 1.00 0.00 C ATOM 327 CG ASP A 742 13.470 -10.231 -2.919 1.00 0.00 C ATOM 328 OD1 ASP A 742 13.755 -9.914 -4.093 1.00 0.00 O ATOM 329 OD2 ASP A 742 13.301 -11.413 -2.551 1.00 0.00 O ATOM 0 H ASP A 742 14.728 -7.848 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 742 14.711 -8.068 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.706 -9.476 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 742 12.265 -8.905 -1.750 1.00 0.00 H new ATOM 334 N GLN A 743 13.017 -6.498 -4.021 1.00 0.00 N ATOM 335 CA GLN A 743 12.104 -5.495 -4.557 1.00 0.00 C ATOM 336 C GLN A 743 10.657 -5.852 -4.244 1.00 0.00 C ATOM 337 O GLN A 743 9.867 -4.996 -3.849 1.00 0.00 O ATOM 338 CB GLN A 743 12.293 -5.358 -6.067 1.00 0.00 C ATOM 339 CG GLN A 743 11.986 -3.966 -6.595 1.00 0.00 C ATOM 340 CD GLN A 743 11.139 -3.992 -7.852 1.00 0.00 C ATOM 341 OE1 GLN A 743 11.643 -3.794 -8.958 1.00 0.00 O ATOM 342 NE2 GLN A 743 9.844 -4.238 -7.689 1.00 0.00 N ATOM 0 H GLN A 743 13.606 -6.949 -4.721 1.00 0.00 H new ATOM 0 HA GLN A 743 12.334 -4.541 -4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.321 -5.615 -6.321 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.650 -6.079 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 743 11.468 -3.395 -5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 743 12.921 -3.446 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 743 9.469 -4.396 -6.754 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.225 -4.269 -8.499 1.00 0.00 H new ATOM 351 N SER A 744 10.317 -7.125 -4.415 1.00 0.00 N ATOM 352 CA SER A 744 8.964 -7.596 -4.140 1.00 0.00 C ATOM 353 C SER A 744 8.558 -7.224 -2.720 1.00 0.00 C ATOM 354 O SER A 744 7.421 -6.818 -2.466 1.00 0.00 O ATOM 355 CB SER A 744 8.876 -9.111 -4.333 1.00 0.00 C ATOM 356 OG SER A 744 10.059 -9.752 -3.890 1.00 0.00 O ATOM 0 H SER A 744 10.958 -7.848 -4.742 1.00 0.00 H new ATOM 0 HA SER A 744 8.280 -7.116 -4.840 1.00 0.00 H new ATOM 0 HB2 SER A 744 8.020 -9.501 -3.783 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.709 -9.337 -5.386 1.00 0.00 H new ATOM 0 HG SER A 744 9.976 -10.719 -4.023 1.00 0.00 H new ATOM 362 N LYS A 745 9.508 -7.342 -1.800 1.00 0.00 N ATOM 363 CA LYS A 745 9.267 -6.996 -0.409 1.00 0.00 C ATOM 364 C LYS A 745 9.034 -5.499 -0.297 1.00 0.00 C ATOM 365 O LYS A 745 8.225 -5.039 0.508 1.00 0.00 O ATOM 366 CB LYS A 745 10.452 -7.416 0.463 1.00 0.00 C ATOM 367 CG LYS A 745 10.294 -8.798 1.079 1.00 0.00 C ATOM 368 CD LYS A 745 11.643 -9.429 1.383 1.00 0.00 C ATOM 369 CE LYS A 745 11.563 -10.360 2.582 1.00 0.00 C ATOM 370 NZ LYS A 745 11.369 -11.778 2.173 1.00 0.00 N ATOM 0 H LYS A 745 10.452 -7.675 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 745 8.383 -7.527 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.360 -7.397 -0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.583 -6.685 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 745 9.710 -8.724 1.997 1.00 0.00 H new ATOM 0 HG3 LYS A 745 9.736 -9.440 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 745 11.991 -9.984 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 745 12.377 -8.647 1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.477 -10.274 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 745 10.739 -10.052 3.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 11.320 -12.380 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 10.484 -11.866 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 12.168 -12.080 1.579 1.00 0.00 H new ATOM 384 N PHE A 746 9.746 -4.746 -1.130 1.00 0.00 N ATOM 385 CA PHE A 746 9.617 -3.299 -1.148 1.00 0.00 C ATOM 386 C PHE A 746 8.230 -2.916 -1.635 1.00 0.00 C ATOM 387 O PHE A 746 7.606 -1.999 -1.106 1.00 0.00 O ATOM 388 CB PHE A 746 10.687 -2.679 -2.048 1.00 0.00 C ATOM 389 CG PHE A 746 10.723 -1.177 -1.990 1.00 0.00 C ATOM 390 CD1 PHE A 746 10.881 -0.522 -0.778 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.603 -0.421 -3.145 1.00 0.00 C ATOM 392 CE1 PHE A 746 10.917 0.858 -0.720 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.638 0.961 -3.092 1.00 0.00 C ATOM 394 CZ PHE A 746 10.795 1.601 -1.877 1.00 0.00 C ATOM 0 H PHE A 746 10.418 -5.118 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 746 9.758 -2.917 -0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.663 -3.069 -1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.510 -2.991 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 746 10.977 -1.097 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.481 -0.916 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.041 1.355 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.543 1.539 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.822 2.680 -1.833 1.00 0.00 H new ATOM 404 N GLU A 747 7.743 -3.643 -2.638 1.00 0.00 N ATOM 405 CA GLU A 747 6.416 -3.397 -3.182 1.00 0.00 C ATOM 406 C GLU A 747 5.365 -3.619 -2.104 1.00 0.00 C ATOM 407 O GLU A 747 4.416 -2.846 -1.971 1.00 0.00 O ATOM 408 CB GLU A 747 6.149 -4.317 -4.376 1.00 0.00 C ATOM 409 CG GLU A 747 6.930 -3.937 -5.624 1.00 0.00 C ATOM 410 CD GLU A 747 6.034 -3.499 -6.765 1.00 0.00 C ATOM 411 OE1 GLU A 747 5.085 -4.242 -7.094 1.00 0.00 O ATOM 412 OE2 GLU A 747 6.278 -2.412 -7.330 1.00 0.00 O ATOM 0 H GLU A 747 8.249 -4.406 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 747 6.363 -2.363 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 747 6.400 -5.341 -4.098 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.084 -4.301 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 747 7.623 -3.131 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.530 -4.788 -5.945 1.00 0.00 H new ATOM 419 N GLU A 748 5.552 -4.683 -1.328 1.00 0.00 N ATOM 420 CA GLU A 748 4.633 -5.017 -0.246 1.00 0.00 C ATOM 421 C GLU A 748 4.655 -3.940 0.833 1.00 0.00 C ATOM 422 O GLU A 748 3.617 -3.563 1.373 1.00 0.00 O ATOM 423 CB GLU A 748 4.998 -6.373 0.360 1.00 0.00 C ATOM 424 CG GLU A 748 4.208 -7.533 -0.222 1.00 0.00 C ATOM 425 CD GLU A 748 4.179 -8.738 0.699 1.00 0.00 C ATOM 426 OE1 GLU A 748 3.617 -8.625 1.808 1.00 0.00 O ATOM 427 OE2 GLU A 748 4.718 -9.795 0.309 1.00 0.00 O ATOM 0 H GLU A 748 6.334 -5.330 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 748 3.626 -5.073 -0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.062 -6.556 0.206 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.833 -6.336 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.187 -7.208 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 748 4.644 -7.821 -1.178 1.00 0.00 H new ATOM 434 N HIS A 749 5.847 -3.446 1.137 1.00 0.00 N ATOM 435 CA HIS A 749 6.008 -2.405 2.144 1.00 0.00 C ATOM 436 C HIS A 749 5.411 -1.097 1.640 1.00 0.00 C ATOM 437 O HIS A 749 4.657 -0.431 2.350 1.00 0.00 O ATOM 438 CB HIS A 749 7.496 -2.251 2.487 1.00 0.00 C ATOM 439 CG HIS A 749 7.897 -0.886 2.954 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.042 -0.540 4.278 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.214 0.223 2.240 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.439 0.737 4.326 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.558 1.245 3.116 1.00 0.00 N ATOM 0 H HIS A 749 6.718 -3.749 0.701 1.00 0.00 H new ATOM 0 HA HIS A 749 5.476 -2.684 3.054 1.00 0.00 H new ATOM 0 HB2 HIS A 749 7.752 -2.974 3.262 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.085 -2.505 1.606 1.00 0.00 H new ATOM 0 HD1 HIS A 749 7.876 -1.148 5.080 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.201 0.299 1.163 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.636 1.281 5.238 1.00 0.00 H new ATOM 451 N VAL A 750 5.731 -0.750 0.401 1.00 0.00 N ATOM 452 CA VAL A 750 5.205 0.461 -0.210 1.00 0.00 C ATOM 453 C VAL A 750 3.681 0.410 -0.239 1.00 0.00 C ATOM 454 O VAL A 750 3.008 1.381 0.101 1.00 0.00 O ATOM 455 CB VAL A 750 5.735 0.641 -1.645 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.156 1.895 -2.286 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.256 0.687 -1.649 1.00 0.00 C ATOM 0 H VAL A 750 6.353 -1.291 -0.200 1.00 0.00 H new ATOM 0 HA VAL A 750 5.537 1.308 0.390 1.00 0.00 H new ATOM 0 HB VAL A 750 5.415 -0.217 -2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.546 1.999 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.069 1.817 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.438 2.768 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.613 0.815 -2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.596 1.523 -1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.649 -0.244 -1.241 1.00 0.00 H new ATOM 467 N GLU A 751 3.145 -0.739 -0.642 1.00 0.00 N ATOM 468 CA GLU A 751 1.701 -0.925 -0.705 1.00 0.00 C ATOM 469 C GLU A 751 1.110 -1.010 0.698 1.00 0.00 C ATOM 470 O GLU A 751 -0.056 -0.680 0.911 1.00 0.00 O ATOM 471 CB GLU A 751 1.353 -2.179 -1.517 1.00 0.00 C ATOM 472 CG GLU A 751 1.400 -3.479 -0.726 1.00 0.00 C ATOM 473 CD GLU A 751 0.023 -4.072 -0.496 1.00 0.00 C ATOM 474 OE1 GLU A 751 -0.850 -3.902 -1.373 1.00 0.00 O ATOM 475 OE2 GLU A 751 -0.181 -4.706 0.560 1.00 0.00 O ATOM 0 H GLU A 751 3.689 -1.553 -0.929 1.00 0.00 H new ATOM 0 HA GLU A 751 1.265 -0.062 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 751 0.354 -2.059 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 751 2.043 -2.255 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 751 2.018 -4.202 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 751 1.879 -3.297 0.236 1.00 0.00 H new ATOM 482 N SER A 752 1.926 -1.440 1.657 1.00 0.00 N ATOM 483 CA SER A 752 1.480 -1.546 3.039 1.00 0.00 C ATOM 484 C SER A 752 0.951 -0.200 3.516 1.00 0.00 C ATOM 485 O SER A 752 0.073 -0.129 4.376 1.00 0.00 O ATOM 486 CB SER A 752 2.628 -2.010 3.938 1.00 0.00 C ATOM 487 OG SER A 752 2.161 -2.342 5.234 1.00 0.00 O ATOM 0 H SER A 752 2.895 -1.719 1.501 1.00 0.00 H new ATOM 0 HA SER A 752 0.679 -2.284 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.116 -2.876 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.379 -1.223 4.009 1.00 0.00 H new ATOM 0 HG SER A 752 2.914 -2.637 5.788 1.00 0.00 H new ATOM 493 N HIS A 753 1.485 0.868 2.930 1.00 0.00 N ATOM 494 CA HIS A 753 1.059 2.224 3.274 1.00 0.00 C ATOM 495 C HIS A 753 -0.214 2.596 2.518 1.00 0.00 C ATOM 496 O HIS A 753 -0.979 3.458 2.950 1.00 0.00 O ATOM 497 CB HIS A 753 2.155 3.237 2.937 1.00 0.00 C ATOM 498 CG HIS A 753 3.485 2.919 3.538 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.852 3.273 4.815 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.555 2.276 3.004 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.106 2.848 5.016 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.578 2.235 3.948 1.00 0.00 N ATOM 0 H HIS A 753 2.212 0.823 2.216 1.00 0.00 H new ATOM 0 HA HIS A 753 0.863 2.248 4.346 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.262 3.294 1.854 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.841 4.223 3.278 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.272 3.771 5.490 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.605 1.863 2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.659 2.989 5.933 1.00 0.00 H new ATOM 510 N TRP A 754 -0.428 1.941 1.380 1.00 0.00 N ATOM 511 CA TRP A 754 -1.597 2.197 0.549 1.00 0.00 C ATOM 512 C TRP A 754 -2.873 1.726 1.229 1.00 0.00 C ATOM 513 O TRP A 754 -2.833 0.953 2.186 1.00 0.00 O ATOM 514 CB TRP A 754 -1.442 1.503 -0.802 1.00 0.00 C ATOM 515 CG TRP A 754 -0.483 2.200 -1.712 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.594 2.952 -1.346 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.515 2.212 -3.140 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.233 3.433 -2.463 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.569 2.993 -3.576 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.360 1.639 -4.089 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.832 3.214 -4.924 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.099 1.856 -5.429 1.00 0.00 C ATOM 523 CH2 TRP A 754 -0.011 2.639 -5.837 1.00 0.00 C ATOM 0 H TRP A 754 0.198 1.225 1.012 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.671 3.274 0.397 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -1.103 0.480 -0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.416 1.443 -1.287 1.00 0.00 H new ATOM 0 HD1 TRP A 754 0.900 3.142 -0.328 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.066 4.022 -2.463 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.203 1.037 -3.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.671 3.817 -5.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.745 1.415 -6.174 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.166 2.792 -6.891 1.00 0.00 H new ATOM 534 N LYS A 755 -4.009 2.189 0.719 1.00 0.00 N ATOM 535 CA LYS A 755 -5.301 1.807 1.270 1.00 0.00 C ATOM 536 C LYS A 755 -5.750 0.481 0.672 1.00 0.00 C ATOM 537 O LYS A 755 -6.219 0.436 -0.459 1.00 0.00 O ATOM 538 CB LYS A 755 -6.341 2.892 0.981 1.00 0.00 C ATOM 539 CG LYS A 755 -6.259 4.082 1.922 1.00 0.00 C ATOM 540 CD LYS A 755 -6.403 5.397 1.173 1.00 0.00 C ATOM 541 CE LYS A 755 -6.972 6.488 2.065 1.00 0.00 C ATOM 542 NZ LYS A 755 -6.018 6.884 3.137 1.00 0.00 N ATOM 0 H LYS A 755 -4.060 2.828 -0.074 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.203 1.694 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -6.214 3.241 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.337 2.455 1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -7.042 4.005 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.305 4.065 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.430 5.708 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -7.053 5.256 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.219 7.360 1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.901 6.140 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.444 7.630 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -5.801 6.058 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.141 7.241 2.707 1.00 0.00 H new ATOM 556 N VAL A 756 -5.587 -0.601 1.424 1.00 0.00 N ATOM 557 CA VAL A 756 -5.966 -1.922 0.937 1.00 0.00 C ATOM 558 C VAL A 756 -7.182 -2.471 1.668 1.00 0.00 C ATOM 559 O VAL A 756 -7.280 -2.398 2.893 1.00 0.00 O ATOM 560 CB VAL A 756 -4.809 -2.927 1.065 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.136 -4.212 0.323 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.526 -2.319 0.534 1.00 0.00 C ATOM 0 H VAL A 756 -5.198 -0.591 2.367 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.216 -1.795 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.670 -3.166 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.306 -4.912 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.038 -4.656 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.298 -3.992 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -2.714 -3.040 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.655 -2.056 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.284 -1.423 1.105 1.00 0.00 H new ATOM 572 N CYS A 757 -8.106 -3.025 0.895 1.00 0.00 N ATOM 573 CA CYS A 757 -9.327 -3.603 1.434 1.00 0.00 C ATOM 574 C CYS A 757 -9.049 -4.975 2.049 1.00 0.00 C ATOM 575 O CYS A 757 -8.408 -5.821 1.426 1.00 0.00 O ATOM 576 CB CYS A 757 -10.367 -3.719 0.321 1.00 0.00 C ATOM 577 SG CYS A 757 -11.990 -4.290 0.877 1.00 0.00 S ATOM 0 H CYS A 757 -8.030 -3.086 -0.120 1.00 0.00 H new ATOM 0 HA CYS A 757 -9.711 -2.953 2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.481 -2.746 -0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -9.994 -4.405 -0.439 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.203 -5.492 0.431 1.00 0.00 H new ATOM 582 N PRO A 758 -9.518 -5.212 3.286 1.00 0.00 N ATOM 583 CA PRO A 758 -9.305 -6.480 3.982 1.00 0.00 C ATOM 584 C PRO A 758 -10.357 -7.535 3.649 1.00 0.00 C ATOM 585 O PRO A 758 -10.231 -8.693 4.049 1.00 0.00 O ATOM 586 CB PRO A 758 -9.412 -6.068 5.446 1.00 0.00 C ATOM 587 CG PRO A 758 -10.410 -4.960 5.449 1.00 0.00 C ATOM 588 CD PRO A 758 -10.284 -4.260 4.116 1.00 0.00 C ATOM 0 HA PRO A 758 -8.360 -6.946 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -9.740 -6.900 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.450 -5.737 5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.419 -5.348 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.218 -4.268 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.261 -4.048 3.682 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -9.765 -3.307 4.213 1.00 0.00 H new ATOM 596 N MET A 759 -11.399 -7.133 2.927 1.00 0.00 N ATOM 597 CA MET A 759 -12.469 -8.056 2.562 1.00 0.00 C ATOM 598 C MET A 759 -12.150 -8.801 1.268 1.00 0.00 C ATOM 599 O MET A 759 -12.633 -9.912 1.049 1.00 0.00 O ATOM 600 CB MET A 759 -13.790 -7.300 2.425 1.00 0.00 C ATOM 601 CG MET A 759 -14.285 -6.704 3.734 1.00 0.00 C ATOM 602 SD MET A 759 -14.420 -7.927 5.053 1.00 0.00 S ATOM 603 CE MET A 759 -14.198 -6.891 6.496 1.00 0.00 C ATOM 0 H MET A 759 -11.525 -6.180 2.585 1.00 0.00 H new ATOM 0 HA MET A 759 -12.559 -8.796 3.357 1.00 0.00 H new ATOM 0 HB2 MET A 759 -13.668 -6.501 1.694 1.00 0.00 H new ATOM 0 HB3 MET A 759 -14.549 -7.978 2.033 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.605 -5.912 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.259 -6.242 3.572 1.00 0.00 H new ATOM 0 HE1 MET A 759 -13.784 -7.485 7.310 1.00 0.00 H new ATOM 0 HE2 MET A 759 -13.514 -6.076 6.257 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.161 -6.480 6.800 1.00 0.00 H new ATOM 613 N CYS A 760 -11.335 -8.190 0.415 1.00 0.00 N ATOM 614 CA CYS A 760 -10.958 -8.811 -0.853 1.00 0.00 C ATOM 615 C CYS A 760 -9.444 -8.771 -1.061 1.00 0.00 C ATOM 616 O CYS A 760 -8.859 -9.731 -1.560 1.00 0.00 O ATOM 617 CB CYS A 760 -11.669 -8.119 -2.015 1.00 0.00 C ATOM 618 SG CYS A 760 -11.075 -6.447 -2.351 1.00 0.00 S ATOM 0 H CYS A 760 -10.924 -7.270 0.576 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.267 -9.856 -0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -11.547 -8.724 -2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -12.737 -8.078 -1.801 1.00 0.00 H new ATOM 0 HG CYS A 760 -11.455 -6.082 -3.539 1.00 0.00 H new ATOM 623 N SER A 761 -8.825 -7.651 -0.669 1.00 0.00 N ATOM 624 CA SER A 761 -7.372 -7.449 -0.792 1.00 0.00 C ATOM 625 C SER A 761 -7.029 -6.498 -1.937 1.00 0.00 C ATOM 626 O SER A 761 -5.983 -6.634 -2.571 1.00 0.00 O ATOM 627 CB SER A 761 -6.623 -8.773 -0.978 1.00 0.00 C ATOM 628 OG SER A 761 -5.242 -8.620 -0.701 1.00 0.00 O ATOM 0 H SER A 761 -9.316 -6.857 -0.257 1.00 0.00 H new ATOM 0 HA SER A 761 -7.046 -6.998 0.145 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.048 -9.530 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 761 -6.755 -9.129 -2.000 1.00 0.00 H new ATOM 0 HG SER A 761 -4.878 -7.891 -1.246 1.00 0.00 H new ATOM 634 N GLU A 762 -7.900 -5.524 -2.184 1.00 0.00 N ATOM 635 CA GLU A 762 -7.663 -4.540 -3.239 1.00 0.00 C ATOM 636 C GLU A 762 -6.933 -3.338 -2.663 1.00 0.00 C ATOM 637 O GLU A 762 -7.383 -2.743 -1.689 1.00 0.00 O ATOM 638 CB GLU A 762 -8.981 -4.094 -3.878 1.00 0.00 C ATOM 639 CG GLU A 762 -9.225 -4.696 -5.253 1.00 0.00 C ATOM 640 CD GLU A 762 -9.713 -6.129 -5.187 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.868 -7.039 -5.049 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.941 -6.343 -5.273 1.00 0.00 O ATOM 0 H GLU A 762 -8.772 -5.394 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.049 -5.003 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.805 -4.367 -3.219 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -8.986 -3.007 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.959 -4.091 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -8.302 -4.657 -5.831 1.00 0.00 H new ATOM 649 N GLN A 763 -5.803 -2.984 -3.256 1.00 0.00 N ATOM 650 CA GLN A 763 -5.026 -1.856 -2.766 1.00 0.00 C ATOM 651 C GLN A 763 -5.180 -0.644 -3.670 1.00 0.00 C ATOM 652 O GLN A 763 -5.091 -0.741 -4.893 1.00 0.00 O ATOM 653 CB GLN A 763 -3.551 -2.237 -2.652 1.00 0.00 C ATOM 654 CG GLN A 763 -2.966 -2.774 -3.944 1.00 0.00 C ATOM 655 CD GLN A 763 -1.456 -2.646 -4.002 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.751 -3.609 -4.301 1.00 0.00 O ATOM 657 NE2 GLN A 763 -0.950 -1.452 -3.713 1.00 0.00 N ATOM 0 H GLN A 763 -5.407 -3.456 -4.069 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.406 -1.594 -1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -2.981 -1.362 -2.339 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.437 -2.988 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.242 -3.823 -4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -3.404 -2.239 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.571 -0.680 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 763 0.059 -1.307 -3.734 1.00 0.00 H new ATOM 666 N PHE A 764 -5.411 0.500 -3.042 1.00 0.00 N ATOM 667 CA PHE A 764 -5.581 1.756 -3.758 1.00 0.00 C ATOM 668 C PHE A 764 -4.474 2.739 -3.377 1.00 0.00 C ATOM 669 O PHE A 764 -4.040 2.782 -2.221 1.00 0.00 O ATOM 670 CB PHE A 764 -6.954 2.362 -3.452 1.00 0.00 C ATOM 671 CG PHE A 764 -8.090 1.381 -3.572 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.222 0.340 -2.669 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.025 1.502 -4.587 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.261 -0.563 -2.772 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.069 0.601 -4.697 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.187 -0.432 -3.787 1.00 0.00 C ATOM 0 H PHE A 764 -5.486 0.584 -2.028 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.518 1.556 -4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.944 2.770 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.133 3.196 -4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.501 0.233 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.938 2.308 -5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.349 -1.370 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.791 0.705 -5.493 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.002 -1.136 -3.870 1.00 0.00 H new ATOM 686 N PRO A 765 -3.993 3.539 -4.349 1.00 0.00 N ATOM 687 CA PRO A 765 -2.922 4.514 -4.113 1.00 0.00 C ATOM 688 C PRO A 765 -3.278 5.529 -3.033 1.00 0.00 C ATOM 689 O PRO A 765 -4.452 5.765 -2.747 1.00 0.00 O ATOM 690 CB PRO A 765 -2.764 5.215 -5.466 1.00 0.00 C ATOM 691 CG PRO A 765 -3.326 4.261 -6.459 1.00 0.00 C ATOM 692 CD PRO A 765 -4.442 3.546 -5.753 1.00 0.00 C ATOM 0 HA PRO A 765 -2.013 4.029 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.299 6.165 -5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.717 5.435 -5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.694 4.786 -7.341 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.566 3.559 -6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.393 4.066 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.581 2.536 -6.138 1.00 0.00 H new ATOM 700 N PRO A 766 -2.255 6.146 -2.418 1.00 0.00 N ATOM 701 CA PRO A 766 -2.451 7.145 -1.362 1.00 0.00 C ATOM 702 C PRO A 766 -3.176 8.383 -1.875 1.00 0.00 C ATOM 703 O PRO A 766 -3.887 9.054 -1.126 1.00 0.00 O ATOM 704 CB PRO A 766 -1.023 7.496 -0.925 1.00 0.00 C ATOM 705 CG PRO A 766 -0.161 7.108 -2.076 1.00 0.00 C ATOM 706 CD PRO A 766 -0.828 5.921 -2.705 1.00 0.00 C ATOM 0 HA PRO A 766 -3.071 6.766 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.929 8.559 -0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.742 6.954 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 766 -0.068 7.928 -2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 766 0.847 6.859 -1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.636 5.872 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.473 4.985 -2.274 1.00 0.00 H new ATOM 714 N ASP A 767 -2.998 8.676 -3.158 1.00 0.00 N ATOM 715 CA ASP A 767 -3.640 9.829 -3.777 1.00 0.00 C ATOM 716 C ASP A 767 -5.069 9.496 -4.207 1.00 0.00 C ATOM 717 O ASP A 767 -5.847 10.388 -4.542 1.00 0.00 O ATOM 718 CB ASP A 767 -2.829 10.303 -4.985 1.00 0.00 C ATOM 719 CG ASP A 767 -1.835 11.388 -4.624 1.00 0.00 C ATOM 720 OD1 ASP A 767 -1.221 11.294 -3.540 1.00 0.00 O ATOM 721 OD2 ASP A 767 -1.668 12.332 -5.425 1.00 0.00 O ATOM 0 H ASP A 767 -2.413 8.130 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.681 10.629 -3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.297 9.456 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.508 10.677 -5.751 1.00 0.00 H new ATOM 726 N TYR A 768 -5.406 8.209 -4.193 1.00 0.00 N ATOM 727 CA TYR A 768 -6.739 7.764 -4.579 1.00 0.00 C ATOM 728 C TYR A 768 -7.801 8.372 -3.670 1.00 0.00 C ATOM 729 O TYR A 768 -7.568 8.576 -2.478 1.00 0.00 O ATOM 730 CB TYR A 768 -6.822 6.238 -4.524 1.00 0.00 C ATOM 731 CG TYR A 768 -7.749 5.640 -5.560 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.375 5.573 -6.896 1.00 0.00 C ATOM 733 CD2 TYR A 768 -8.996 5.146 -5.201 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.220 5.028 -7.845 1.00 0.00 C ATOM 735 CE2 TYR A 768 -9.845 4.600 -6.143 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.453 4.543 -7.464 1.00 0.00 C ATOM 737 OH TYR A 768 -10.296 4.000 -8.405 1.00 0.00 O ATOM 0 H TYR A 768 -4.774 7.457 -3.918 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.925 8.098 -5.600 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.823 5.824 -4.661 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.158 5.937 -3.532 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.410 5.952 -7.198 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.307 5.190 -4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -7.915 4.982 -8.880 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -10.811 4.219 -5.847 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.006 3.495 -7.956 1.00 0.00 H new ATOM 747 N ASP A 769 -8.967 8.657 -4.237 1.00 0.00 N ATOM 748 CA ASP A 769 -10.064 9.238 -3.473 1.00 0.00 C ATOM 749 C ASP A 769 -10.569 8.255 -2.423 1.00 0.00 C ATOM 750 O ASP A 769 -11.053 7.173 -2.753 1.00 0.00 O ATOM 751 CB ASP A 769 -11.208 9.641 -4.406 1.00 0.00 C ATOM 752 CG ASP A 769 -11.147 11.106 -4.793 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.207 11.489 -5.520 1.00 0.00 O ATOM 754 OD2 ASP A 769 -12.040 11.869 -4.370 1.00 0.00 O ATOM 0 H ASP A 769 -9.177 8.495 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.692 10.128 -2.965 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -11.172 9.028 -5.307 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -12.161 9.436 -3.918 1.00 0.00 H new ATOM 759 N GLN A 770 -10.452 8.638 -1.155 1.00 0.00 N ATOM 760 CA GLN A 770 -10.894 7.786 -0.055 1.00 0.00 C ATOM 761 C GLN A 770 -12.364 7.409 -0.216 1.00 0.00 C ATOM 762 O GLN A 770 -12.793 6.345 0.232 1.00 0.00 O ATOM 763 CB GLN A 770 -10.680 8.495 1.284 1.00 0.00 C ATOM 764 CG GLN A 770 -11.088 7.658 2.486 1.00 0.00 C ATOM 765 CD GLN A 770 -9.913 7.300 3.376 1.00 0.00 C ATOM 766 OE1 GLN A 770 -9.059 8.140 3.663 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.864 6.048 3.817 1.00 0.00 N ATOM 0 H GLN A 770 -10.055 9.531 -0.864 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.300 6.873 -0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.628 8.765 1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.249 9.425 1.289 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.828 8.205 3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.569 6.743 2.140 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.594 5.386 3.554 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -9.097 5.749 4.419 1.00 0.00 H new ATOM 776 N GLN A 771 -13.132 8.284 -0.860 1.00 0.00 N ATOM 777 CA GLN A 771 -14.551 8.034 -1.082 1.00 0.00 C ATOM 778 C GLN A 771 -14.752 6.751 -1.881 1.00 0.00 C ATOM 779 O GLN A 771 -15.592 5.918 -1.540 1.00 0.00 O ATOM 780 CB GLN A 771 -15.190 9.215 -1.814 1.00 0.00 C ATOM 781 CG GLN A 771 -16.558 9.600 -1.272 1.00 0.00 C ATOM 782 CD GLN A 771 -16.525 10.877 -0.455 1.00 0.00 C ATOM 783 OE1 GLN A 771 -16.554 10.841 0.775 1.00 0.00 O ATOM 784 NE2 GLN A 771 -16.465 12.014 -1.138 1.00 0.00 N ATOM 0 H GLN A 771 -12.795 9.170 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 771 -15.034 7.917 -0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.526 10.077 -1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.284 8.968 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -17.252 9.723 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -16.941 8.788 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -16.443 11.996 -2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -16.441 12.906 -0.643 1.00 0.00 H new ATOM 793 N VAL A 772 -13.967 6.594 -2.943 1.00 0.00 N ATOM 794 CA VAL A 772 -14.050 5.410 -3.787 1.00 0.00 C ATOM 795 C VAL A 772 -13.595 4.173 -3.022 1.00 0.00 C ATOM 796 O VAL A 772 -14.183 3.097 -3.143 1.00 0.00 O ATOM 797 CB VAL A 772 -13.195 5.561 -5.059 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.414 4.383 -5.996 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.505 6.875 -5.761 1.00 0.00 C ATOM 0 H VAL A 772 -13.266 7.274 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.094 5.296 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.145 5.571 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.801 4.509 -6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.133 3.459 -5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.465 4.336 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.891 6.963 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.559 6.899 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.288 7.706 -5.090 1.00 0.00 H new ATOM 809 N PHE A 773 -12.546 4.336 -2.228 1.00 0.00 N ATOM 810 CA PHE A 773 -12.017 3.236 -1.437 1.00 0.00 C ATOM 811 C PHE A 773 -13.011 2.825 -0.357 1.00 0.00 C ATOM 812 O PHE A 773 -13.342 1.648 -0.222 1.00 0.00 O ATOM 813 CB PHE A 773 -10.684 3.628 -0.795 1.00 0.00 C ATOM 814 CG PHE A 773 -10.193 2.629 0.216 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.118 1.282 -0.105 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.822 3.036 1.486 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.678 0.360 0.825 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.380 2.118 2.420 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.306 0.778 2.089 1.00 0.00 C ATOM 0 H PHE A 773 -12.046 5.218 -2.115 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.852 2.389 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.933 3.743 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.793 4.599 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.406 0.951 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.879 4.082 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.625 -0.687 0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.093 2.447 3.408 1.00 0.00 H new ATOM 0 HZ PHE A 773 -8.958 0.059 2.816 1.00 0.00 H new ATOM 829 N GLU A 774 -13.481 3.804 0.411 1.00 0.00 N ATOM 830 CA GLU A 774 -14.433 3.544 1.485 1.00 0.00 C ATOM 831 C GLU A 774 -15.660 2.818 0.952 1.00 0.00 C ATOM 832 O GLU A 774 -16.159 1.882 1.576 1.00 0.00 O ATOM 833 CB GLU A 774 -14.846 4.851 2.161 1.00 0.00 C ATOM 834 CG GLU A 774 -13.925 5.266 3.296 1.00 0.00 C ATOM 835 CD GLU A 774 -14.587 5.156 4.656 1.00 0.00 C ATOM 836 OE1 GLU A 774 -15.456 5.998 4.964 1.00 0.00 O ATOM 837 OE2 GLU A 774 -14.238 4.224 5.413 1.00 0.00 O ATOM 0 H GLU A 774 -13.218 4.784 0.309 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.947 2.906 2.223 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.869 5.645 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.860 4.746 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.031 4.642 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.599 6.294 3.137 1.00 0.00 H new ATOM 844 N ARG A 775 -16.138 3.250 -0.208 1.00 0.00 N ATOM 845 CA ARG A 775 -17.300 2.628 -0.823 1.00 0.00 C ATOM 846 C ARG A 775 -16.978 1.190 -1.222 1.00 0.00 C ATOM 847 O ARG A 775 -17.807 0.292 -1.069 1.00 0.00 O ATOM 848 CB ARG A 775 -17.782 3.452 -2.026 1.00 0.00 C ATOM 849 CG ARG A 775 -17.004 3.227 -3.315 1.00 0.00 C ATOM 850 CD ARG A 775 -17.855 3.527 -4.537 1.00 0.00 C ATOM 851 NE ARG A 775 -17.315 2.909 -5.746 1.00 0.00 N ATOM 852 CZ ARG A 775 -18.027 2.688 -6.848 1.00 0.00 C ATOM 853 NH1 ARG A 775 -19.308 3.034 -6.901 1.00 0.00 N ATOM 854 NH2 ARG A 775 -17.457 2.119 -7.902 1.00 0.00 N ATOM 0 H ARG A 775 -15.740 4.025 -0.739 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.113 2.602 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.832 3.221 -2.208 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.729 4.510 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.118 3.862 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.657 2.195 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.870 3.168 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -17.918 4.606 -4.679 1.00 0.00 H new ATOM 0 HE ARG A 775 -16.334 2.630 -5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -19.752 3.472 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -19.848 2.862 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -16.473 1.851 -7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -18.002 1.949 -8.747 1.00 0.00 H new ATOM 868 N HIS A 776 -15.764 0.976 -1.726 1.00 0.00 N ATOM 869 CA HIS A 776 -15.333 -0.355 -2.136 1.00 0.00 C ATOM 870 C HIS A 776 -15.228 -1.285 -0.929 1.00 0.00 C ATOM 871 O HIS A 776 -15.734 -2.405 -0.954 1.00 0.00 O ATOM 872 CB HIS A 776 -13.987 -0.281 -2.864 1.00 0.00 C ATOM 873 CG HIS A 776 -13.235 -1.577 -2.875 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.255 -2.469 -3.923 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.434 -2.130 -1.928 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.488 -3.513 -3.587 1.00 0.00 C ATOM 877 NE2 HIS A 776 -11.964 -3.354 -2.388 1.00 0.00 N ATOM 0 H HIS A 776 -15.065 1.706 -1.859 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.080 -0.759 -2.819 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.157 0.039 -3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.370 0.483 -2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.200 -1.689 -0.970 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.320 -4.374 -4.217 1.00 0.00 H new ATOM 0 HE2 HIS A 776 -11.342 -3.997 -1.899 1.00 0.00 H new ATOM 885 N VAL A 777 -14.575 -0.817 0.132 1.00 0.00 N ATOM 886 CA VAL A 777 -14.433 -1.630 1.336 1.00 0.00 C ATOM 887 C VAL A 777 -15.797 -1.823 1.984 1.00 0.00 C ATOM 888 O VAL A 777 -16.140 -2.920 2.428 1.00 0.00 O ATOM 889 CB VAL A 777 -13.467 -1.021 2.377 1.00 0.00 C ATOM 890 CG1 VAL A 777 -12.686 -2.120 3.077 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.514 -0.020 1.747 1.00 0.00 C ATOM 0 H VAL A 777 -14.142 0.105 0.183 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.008 -2.582 1.019 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.070 -0.485 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.009 -1.677 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.378 -2.792 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.109 -2.681 2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -11.852 0.384 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -11.920 -0.516 0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.085 0.791 1.296 1.00 0.00 H new ATOM 901 N GLN A 778 -16.578 -0.748 2.014 1.00 0.00 N ATOM 902 CA GLN A 778 -17.918 -0.789 2.583 1.00 0.00 C ATOM 903 C GLN A 778 -18.798 -1.729 1.768 1.00 0.00 C ATOM 904 O GLN A 778 -19.704 -2.371 2.300 1.00 0.00 O ATOM 905 CB GLN A 778 -18.531 0.613 2.606 1.00 0.00 C ATOM 906 CG GLN A 778 -17.980 1.501 3.708 1.00 0.00 C ATOM 907 CD GLN A 778 -18.384 1.030 5.090 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.556 0.754 5.346 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.414 0.936 5.990 1.00 0.00 N ATOM 0 H GLN A 778 -16.304 0.164 1.649 1.00 0.00 H new ATOM 0 HA GLN A 778 -17.853 -1.157 3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.356 1.093 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.611 0.526 2.727 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -16.892 1.526 3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.333 2.521 3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.456 1.175 5.734 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -17.626 0.625 6.938 1.00 0.00 H new ATOM 918 N THR A 779 -18.512 -1.807 0.472 1.00 0.00 N ATOM 919 CA THR A 779 -19.258 -2.674 -0.429 1.00 0.00 C ATOM 920 C THR A 779 -19.160 -4.127 0.031 1.00 0.00 C ATOM 921 O THR A 779 -20.043 -4.939 -0.247 1.00 0.00 O ATOM 922 CB THR A 779 -18.730 -2.516 -1.861 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.188 -1.302 -2.428 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.133 -3.635 -2.797 1.00 0.00 C ATOM 0 H THR A 779 -17.765 -1.277 0.022 1.00 0.00 H new ATOM 0 HA THR A 779 -20.309 -2.385 -0.414 1.00 0.00 H new ATOM 0 HB THR A 779 -17.645 -2.533 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 779 -18.971 -0.558 -1.828 1.00 0.00 H new ATOM 0 HG21 THR A 779 -18.720 -3.447 -3.788 1.00 0.00 H new ATOM 0 HG22 THR A 779 -18.750 -4.582 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.220 -3.683 -2.860 1.00 0.00 H new ATOM 932 N HIS A 780 -18.083 -4.441 0.742 1.00 0.00 N ATOM 933 CA HIS A 780 -17.864 -5.787 1.251 1.00 0.00 C ATOM 934 C HIS A 780 -18.575 -5.984 2.587 1.00 0.00 C ATOM 935 O HIS A 780 -18.996 -7.091 2.921 1.00 0.00 O ATOM 936 CB HIS A 780 -16.368 -6.047 1.416 1.00 0.00 C ATOM 937 CG HIS A 780 -15.616 -6.053 0.125 1.00 0.00 C ATOM 938 ND1 HIS A 780 -15.653 -7.092 -0.777 1.00 0.00 N ATOM 939 CD2 HIS A 780 -14.794 -5.115 -0.415 1.00 0.00 C ATOM 940 CE1 HIS A 780 -14.871 -6.764 -1.814 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.329 -5.574 -1.643 1.00 0.00 N ATOM 0 H HIS A 780 -17.346 -3.777 0.979 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.276 -6.496 0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -15.945 -5.284 2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.227 -7.007 1.913 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.182 -7.958 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.543 -4.167 0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -14.706 -7.392 -2.677 1.00 0.00 H new ATOM 949 N PHE A 781 -18.703 -4.902 3.348 1.00 0.00 N ATOM 950 CA PHE A 781 -19.360 -4.952 4.649 1.00 0.00 C ATOM 951 C PHE A 781 -20.864 -5.160 4.493 1.00 0.00 C ATOM 952 O PHE A 781 -21.516 -5.723 5.373 1.00 0.00 O ATOM 953 CB PHE A 781 -19.087 -3.664 5.432 1.00 0.00 C ATOM 954 CG PHE A 781 -17.629 -3.307 5.533 1.00 0.00 C ATOM 955 CD1 PHE A 781 -16.642 -4.262 5.332 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.248 -2.011 5.832 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.304 -3.926 5.428 1.00 0.00 C ATOM 958 CE2 PHE A 781 -15.913 -1.669 5.928 1.00 0.00 C ATOM 959 CZ PHE A 781 -14.940 -2.628 5.725 1.00 0.00 C ATOM 0 H PHE A 781 -18.360 -3.978 3.085 1.00 0.00 H new ATOM 0 HA PHE A 781 -18.952 -5.798 5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -19.620 -2.841 4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.495 -3.768 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -16.922 -5.279 5.098 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.004 -1.257 5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -14.545 -4.678 5.271 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.631 -0.653 6.161 1.00 0.00 H new ATOM 0 HZ PHE A 781 -13.896 -2.363 5.799 1.00 0.00 H new ATOM 969 N ASP A 782 -21.408 -4.703 3.370 1.00 0.00 N ATOM 970 CA ASP A 782 -22.835 -4.841 3.101 1.00 0.00 C ATOM 971 C ASP A 782 -23.097 -5.966 2.104 1.00 0.00 C ATOM 972 O ASP A 782 -24.119 -5.975 1.418 1.00 0.00 O ATOM 973 CB ASP A 782 -23.404 -3.526 2.565 1.00 0.00 C ATOM 974 CG ASP A 782 -22.670 -3.040 1.330 1.00 0.00 C ATOM 975 OD1 ASP A 782 -22.147 -3.889 0.578 1.00 0.00 O ATOM 976 OD2 ASP A 782 -22.621 -1.811 1.114 1.00 0.00 O ATOM 0 H ASP A 782 -20.883 -4.234 2.632 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.332 -5.089 4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -24.460 -3.660 2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.346 -2.764 3.342 1.00 0.00 H new