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= -6.32! USER MOD Set 1.2: A 760 CYS SG : rot -110:sc= -1.34 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -2.12 K(o=-13,f=-18) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -3.56 K(o=-13,f=-15!) USER MOD Set 2.1: A 755 LYS NZ :NH3+ -166:sc= 0.0897 (180deg=0) USER MOD Set 2.2: A 770 GLN : amide:sc= -2.34 X(o=-2.2,f=-2.5) USER MOD Set 3.1: A 730 CYS SG : rot -127:sc= -4.47! USER MOD Set 3.2: A 733 CYS SG : rot -111:sc= -0.729 USER MOD Set 3.3: A 749 HIS : no HE2:sc= -2.9 K(o=-11,f=-17!) USER MOD Set 3.4: A 753 HIS : no HE2:sc= -2.49 K(o=-11,f=-16!) USER MOD Single : A 727 HIS : no HD1:sc= -2.77! K(o=-2.8!,f=-0.89) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= -0.235 K(o=-0.23,f=-2.4!) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 743 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.3) USER MOD Single : A 744 SER OG : rot 180:sc= 0 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 -156:sc= -0.856 (180deg=-2.86!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -2.82 K(o=-2.8,f=-10!) 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= -1.64 K(o=-1.6,f=-1) USER MOD Single : A 779 THR OG1 : rot 99:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.647 3.068 -1.372 1.00 0.00 N ATOM 74 CA HIS A 727 19.566 2.713 -0.461 1.00 0.00 C ATOM 75 C HIS A 727 18.205 3.012 -1.080 1.00 0.00 C ATOM 76 O HIS A 727 17.968 4.111 -1.583 1.00 0.00 O ATOM 77 CB HIS A 727 19.714 3.469 0.860 1.00 0.00 C ATOM 78 CG HIS A 727 20.611 2.784 1.841 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.160 3.420 2.936 1.00 0.00 N ATOM 80 CD2 HIS A 727 21.050 1.507 1.891 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.899 2.561 3.615 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.849 1.393 3.002 1.00 0.00 N ATOM 0 HA HIS A 727 19.628 1.642 -0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.105 4.466 0.657 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.729 3.598 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.816 0.722 1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.450 2.778 4.518 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.326 0.544 3.304 1.00 0.00 H new ATOM 91 N LYS A 728 17.313 2.028 -1.036 1.00 0.00 N ATOM 92 CA LYS A 728 15.972 2.187 -1.588 1.00 0.00 C ATOM 93 C LYS A 728 15.058 2.892 -0.592 1.00 0.00 C ATOM 94 O LYS A 728 14.921 2.459 0.552 1.00 0.00 O ATOM 95 CB LYS A 728 15.387 0.822 -1.959 1.00 0.00 C ATOM 96 CG LYS A 728 15.977 0.232 -3.230 1.00 0.00 C ATOM 97 CD LYS A 728 15.346 -1.110 -3.567 1.00 0.00 C ATOM 98 CE LYS A 728 14.304 -0.978 -4.667 1.00 0.00 C ATOM 99 NZ LYS A 728 14.790 -1.531 -5.962 1.00 0.00 N ATOM 0 H LYS A 728 17.494 1.113 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 728 16.043 2.800 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.554 0.128 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.308 0.919 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.826 0.924 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 728 17.053 0.109 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 728 16.121 -1.809 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.882 -1.529 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 728 13.394 -1.498 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 728 14.043 0.072 -4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 14.051 -1.422 -6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 15.644 -1.018 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 15.015 -2.540 -5.846 1.00 0.00 H new ATOM 113 N LYS A 729 14.439 3.981 -1.034 1.00 0.00 N ATOM 114 CA LYS A 729 13.540 4.748 -0.179 1.00 0.00 C ATOM 115 C LYS A 729 12.096 4.628 -0.655 1.00 0.00 C ATOM 116 O LYS A 729 11.783 4.941 -1.803 1.00 0.00 O ATOM 117 CB LYS A 729 13.960 6.219 -0.156 1.00 0.00 C ATOM 118 CG LYS A 729 13.727 6.898 1.183 1.00 0.00 C ATOM 119 CD LYS A 729 14.164 8.354 1.152 1.00 0.00 C ATOM 120 CE LYS A 729 13.546 9.147 2.293 1.00 0.00 C ATOM 121 NZ LYS A 729 14.519 9.387 3.395 1.00 0.00 N ATOM 0 H LYS A 729 14.543 4.352 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 729 13.604 4.340 0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.017 6.290 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.409 6.757 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.670 6.840 1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 729 14.276 6.368 1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 729 15.251 8.410 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 729 13.877 8.801 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 729 13.182 10.103 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 729 12.682 8.609 2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 14.058 9.930 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 14.847 8.475 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 15.332 9.923 3.030 1.00 0.00 H new ATOM 135 N CYS A 730 11.220 4.178 0.237 1.00 0.00 N ATOM 136 CA CYS A 730 9.807 4.022 -0.090 1.00 0.00 C ATOM 137 C CYS A 730 9.125 5.388 -0.170 1.00 0.00 C ATOM 138 O CYS A 730 9.400 6.275 0.639 1.00 0.00 O ATOM 139 CB CYS A 730 9.118 3.134 0.954 1.00 0.00 C ATOM 140 SG CYS A 730 7.312 3.102 0.841 1.00 0.00 S ATOM 0 H CYS A 730 11.463 3.915 1.192 1.00 0.00 H new ATOM 0 HA CYS A 730 9.723 3.540 -1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.494 2.116 0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.401 3.479 1.949 1.00 0.00 H new ATOM 0 HG CYS A 730 6.799 3.395 1.999 1.00 0.00 H new ATOM 145 N PRO A 731 8.229 5.582 -1.157 1.00 0.00 N ATOM 146 CA PRO A 731 7.522 6.850 -1.343 1.00 0.00 C ATOM 147 C PRO A 731 6.300 7.002 -0.437 1.00 0.00 C ATOM 148 O PRO A 731 5.368 7.737 -0.762 1.00 0.00 O ATOM 149 CB PRO A 731 7.084 6.779 -2.803 1.00 0.00 C ATOM 150 CG PRO A 731 6.873 5.327 -3.061 1.00 0.00 C ATOM 151 CD PRO A 731 7.849 4.587 -2.180 1.00 0.00 C ATOM 0 HA PRO A 731 8.154 7.702 -1.095 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.170 7.349 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.844 7.193 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 731 5.847 5.038 -2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 731 7.043 5.091 -4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 731 7.392 3.706 -1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.716 4.243 -2.745 1.00 0.00 H new ATOM 159 N LEU A 732 6.303 6.305 0.695 1.00 0.00 N ATOM 160 CA LEU A 732 5.184 6.372 1.629 1.00 0.00 C ATOM 161 C LEU A 732 5.659 6.519 3.076 1.00 0.00 C ATOM 162 O LEU A 732 4.846 6.642 3.991 1.00 0.00 O ATOM 163 CB LEU A 732 4.317 5.121 1.494 1.00 0.00 C ATOM 164 CG LEU A 732 3.601 4.979 0.150 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.713 3.556 -0.372 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.141 5.386 0.281 1.00 0.00 C ATOM 0 H LEU A 732 7.063 5.691 0.987 1.00 0.00 H new ATOM 0 HA LEU A 732 4.597 7.256 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 732 4.944 4.243 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.571 5.126 2.289 1.00 0.00 H new ATOM 0 HG LEU A 732 4.083 5.643 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.197 3.478 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.764 3.299 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.259 2.870 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.646 5.279 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.649 4.746 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.081 6.424 0.607 1.00 0.00 H new ATOM 178 N CYS A 733 6.974 6.506 3.281 1.00 0.00 N ATOM 179 CA CYS A 733 7.536 6.636 4.618 1.00 0.00 C ATOM 180 C CYS A 733 8.927 7.263 4.563 1.00 0.00 C ATOM 181 O CYS A 733 9.350 7.762 3.520 1.00 0.00 O ATOM 182 CB CYS A 733 7.605 5.267 5.292 1.00 0.00 C ATOM 183 SG CYS A 733 8.694 4.092 4.455 1.00 0.00 S ATOM 0 H CYS A 733 7.667 6.407 2.539 1.00 0.00 H new ATOM 0 HA CYS A 733 6.888 7.290 5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.946 5.396 6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.601 4.846 5.340 1.00 0.00 H new ATOM 0 HG CYS A 733 7.981 3.147 3.917 1.00 0.00 H new ATOM 188 N GLU A 734 9.633 7.233 5.687 1.00 0.00 N ATOM 189 CA GLU A 734 10.976 7.797 5.763 1.00 0.00 C ATOM 190 C GLU A 734 11.985 6.744 6.209 1.00 0.00 C ATOM 191 O GLU A 734 12.875 7.022 7.013 1.00 0.00 O ATOM 192 CB GLU A 734 10.999 8.985 6.727 1.00 0.00 C ATOM 193 CG GLU A 734 9.998 10.074 6.374 1.00 0.00 C ATOM 194 CD GLU A 734 9.990 11.206 7.382 1.00 0.00 C ATOM 195 OE1 GLU A 734 11.084 11.692 7.739 1.00 0.00 O ATOM 196 OE2 GLU A 734 8.888 11.608 7.814 1.00 0.00 O ATOM 0 H GLU A 734 9.298 6.824 6.559 1.00 0.00 H new ATOM 0 HA GLU A 734 11.255 8.141 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.794 8.628 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.001 9.414 6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.233 10.473 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.000 9.640 6.313 1.00 0.00 H new ATOM 203 N LEU A 735 11.841 5.531 5.683 1.00 0.00 N ATOM 204 CA LEU A 735 12.741 4.437 6.029 1.00 0.00 C ATOM 205 C LEU A 735 13.672 4.106 4.865 1.00 0.00 C ATOM 206 O LEU A 735 13.264 4.127 3.704 1.00 0.00 O ATOM 207 CB LEU A 735 11.941 3.193 6.426 1.00 0.00 C ATOM 208 CG LEU A 735 12.439 2.476 7.682 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.362 3.399 8.888 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.634 1.208 7.925 1.00 0.00 C ATOM 0 H LEU A 735 11.110 5.282 5.016 1.00 0.00 H new ATOM 0 HA LEU A 735 13.347 4.756 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.901 3.482 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.957 2.489 5.594 1.00 0.00 H new ATOM 0 HG LEU A 735 13.482 2.197 7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.720 2.872 9.773 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.982 4.278 8.713 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.329 3.709 9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 735 12.001 0.710 8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.583 1.464 8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.740 0.540 7.070 1.00 0.00 H new ATOM 222 N MET A 736 14.924 3.796 5.187 1.00 0.00 N ATOM 223 CA MET A 736 15.913 3.455 4.171 1.00 0.00 C ATOM 224 C MET A 736 16.183 1.954 4.165 1.00 0.00 C ATOM 225 O MET A 736 16.311 1.333 5.221 1.00 0.00 O ATOM 226 CB MET A 736 17.214 4.223 4.417 1.00 0.00 C ATOM 227 CG MET A 736 17.444 5.361 3.437 1.00 0.00 C ATOM 228 SD MET A 736 18.952 6.286 3.787 1.00 0.00 S ATOM 229 CE MET A 736 19.039 7.350 2.349 1.00 0.00 C ATOM 0 H MET A 736 15.277 3.774 6.144 1.00 0.00 H new ATOM 0 HA MET A 736 15.515 3.739 3.197 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.203 4.624 5.430 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.052 3.529 4.358 1.00 0.00 H new ATOM 0 HG2 MET A 736 17.496 4.959 2.425 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.591 6.039 3.467 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.922 7.985 2.419 1.00 0.00 H new ATOM 0 HE2 MET A 736 19.102 6.740 1.448 1.00 0.00 H new ATOM 0 HE3 MET A 736 18.146 7.974 2.303 1.00 0.00 H new ATOM 239 N PHE A 737 16.267 1.374 2.972 1.00 0.00 N ATOM 240 CA PHE A 737 16.519 -0.056 2.835 1.00 0.00 C ATOM 241 C PHE A 737 17.888 -0.314 2.209 1.00 0.00 C ATOM 242 O PHE A 737 18.328 0.427 1.330 1.00 0.00 O ATOM 243 CB PHE A 737 15.422 -0.707 1.989 1.00 0.00 C ATOM 244 CG PHE A 737 14.069 -0.699 2.645 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.939 -0.944 4.003 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.927 -0.448 1.901 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.696 -0.937 4.608 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.681 -0.442 2.500 1.00 0.00 C ATOM 249 CZ PHE A 737 11.566 -0.686 3.855 1.00 0.00 C ATOM 0 H PHE A 737 16.164 1.871 2.087 1.00 0.00 H new ATOM 0 HA PHE A 737 16.511 -0.499 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.356 -0.187 1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.705 -1.737 1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.820 -1.143 4.596 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.011 -0.255 0.842 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.609 -1.127 5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.798 -0.247 1.909 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.594 -0.680 4.325 1.00 0.00 H new ATOM 259 N PRO A 738 18.584 -1.376 2.657 1.00 0.00 N ATOM 260 CA PRO A 738 19.910 -1.731 2.139 1.00 0.00 C ATOM 261 C PRO A 738 19.868 -2.159 0.674 1.00 0.00 C ATOM 262 O PRO A 738 18.833 -2.604 0.179 1.00 0.00 O ATOM 263 CB PRO A 738 20.344 -2.903 3.025 1.00 0.00 C ATOM 264 CG PRO A 738 19.073 -3.473 3.554 1.00 0.00 C ATOM 265 CD PRO A 738 18.133 -2.311 3.705 1.00 0.00 C ATOM 0 HA PRO A 738 20.594 -0.883 2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.902 -3.645 2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.994 -2.568 3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.666 -4.219 2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.236 -3.971 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.095 -2.611 3.558 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.199 -1.866 4.698 1.00 0.00 H new ATOM 273 N PRO A 739 21.001 -2.033 -0.039 1.00 0.00 N ATOM 274 CA PRO A 739 21.092 -2.413 -1.454 1.00 0.00 C ATOM 275 C PRO A 739 20.795 -3.892 -1.674 1.00 0.00 C ATOM 276 O PRO A 739 20.375 -4.296 -2.757 1.00 0.00 O ATOM 277 CB PRO A 739 22.545 -2.098 -1.827 1.00 0.00 C ATOM 278 CG PRO A 739 23.275 -2.022 -0.530 1.00 0.00 C ATOM 279 CD PRO A 739 22.281 -1.517 0.475 1.00 0.00 C ATOM 0 HA PRO A 739 20.362 -1.879 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 739 22.963 -2.873 -2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.616 -1.158 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.660 -3.000 -0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.131 -1.351 -0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.494 -1.891 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.283 -0.429 0.534 1.00 0.00 H new ATOM 287 N ASN A 740 21.014 -4.696 -0.638 1.00 0.00 N ATOM 288 CA ASN A 740 20.767 -6.132 -0.719 1.00 0.00 C ATOM 289 C ASN A 740 19.338 -6.471 -0.296 1.00 0.00 C ATOM 290 O ASN A 740 19.010 -7.636 -0.070 1.00 0.00 O ATOM 291 CB ASN A 740 21.765 -6.891 0.159 1.00 0.00 C ATOM 292 CG ASN A 740 22.927 -7.451 -0.639 1.00 0.00 C ATOM 293 OD1 ASN A 740 22.834 -7.623 -1.854 1.00 0.00 O ATOM 294 ND2 ASN A 740 24.028 -7.740 0.043 1.00 0.00 N ATOM 0 H ASN A 740 21.362 -4.378 0.267 1.00 0.00 H new ATOM 0 HA ASN A 740 20.897 -6.437 -1.757 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.146 -6.223 0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.251 -7.706 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 740 24.842 -8.121 -0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 740 24.061 -7.581 1.050 1.00 0.00 H new ATOM 301 N TYR A 741 18.490 -5.451 -0.192 1.00 0.00 N ATOM 302 CA TYR A 741 17.100 -5.650 0.202 1.00 0.00 C ATOM 303 C TYR A 741 16.291 -6.248 -0.944 1.00 0.00 C ATOM 304 O TYR A 741 16.418 -5.824 -2.093 1.00 0.00 O ATOM 305 CB TYR A 741 16.481 -4.323 0.642 1.00 0.00 C ATOM 306 CG TYR A 741 15.128 -4.473 1.300 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.964 -4.498 0.541 1.00 0.00 C ATOM 308 CD2 TYR A 741 15.014 -4.588 2.680 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.725 -4.634 1.138 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.778 -4.724 3.284 1.00 0.00 C ATOM 311 CZ TYR A 741 12.638 -4.746 2.509 1.00 0.00 C ATOM 312 OH TYR A 741 11.406 -4.882 3.108 1.00 0.00 O ATOM 0 H TYR A 741 18.742 -4.480 -0.375 1.00 0.00 H new ATOM 0 HA TYR A 741 17.080 -6.348 1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.160 -3.828 1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.383 -3.672 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 741 14.029 -4.410 -0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.905 -4.571 3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.830 -4.652 0.534 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.706 -4.813 4.358 1.00 0.00 H new ATOM 0 HH TYR A 741 11.520 -4.950 4.079 1.00 0.00 H new ATOM 322 N ASP A 742 15.461 -7.234 -0.625 1.00 0.00 N ATOM 323 CA ASP A 742 14.632 -7.890 -1.630 1.00 0.00 C ATOM 324 C ASP A 742 13.568 -6.936 -2.162 1.00 0.00 C ATOM 325 O ASP A 742 12.797 -6.359 -1.396 1.00 0.00 O ATOM 326 CB ASP A 742 13.968 -9.136 -1.040 1.00 0.00 C ATOM 327 CG ASP A 742 14.784 -10.392 -1.277 1.00 0.00 C ATOM 328 OD1 ASP A 742 15.291 -10.566 -2.404 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.916 -11.200 -0.334 1.00 0.00 O ATOM 0 H ASP A 742 15.344 -7.597 0.321 1.00 0.00 H new ATOM 0 HA ASP A 742 15.275 -8.188 -2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.825 -8.996 0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 742 12.979 -9.260 -1.480 1.00 0.00 H new ATOM 334 N GLN A 743 13.533 -6.774 -3.481 1.00 0.00 N ATOM 335 CA GLN A 743 12.565 -5.888 -4.117 1.00 0.00 C ATOM 336 C GLN A 743 11.139 -6.310 -3.783 1.00 0.00 C ATOM 337 O GLN A 743 10.287 -5.473 -3.485 1.00 0.00 O ATOM 338 CB GLN A 743 12.766 -5.881 -5.631 1.00 0.00 C ATOM 339 CG GLN A 743 12.451 -4.544 -6.282 1.00 0.00 C ATOM 340 CD GLN A 743 10.963 -4.321 -6.463 1.00 0.00 C ATOM 341 OE1 GLN A 743 10.221 -5.240 -6.809 1.00 0.00 O ATOM 342 NE2 GLN A 743 10.517 -3.092 -6.228 1.00 0.00 N ATOM 0 H GLN A 743 14.164 -7.245 -4.130 1.00 0.00 H new ATOM 0 HA GLN A 743 12.725 -4.881 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.799 -6.149 -5.853 1.00 0.00 H new ATOM 0 HB3 GLN A 743 12.135 -6.650 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 743 12.864 -3.741 -5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 743 12.943 -4.492 -7.253 1.00 0.00 H new ATOM 0 HE21 GLN A 743 11.167 -2.359 -5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.525 -2.881 -6.333 1.00 0.00 H new ATOM 351 N SER A 744 10.888 -7.613 -3.829 1.00 0.00 N ATOM 352 CA SER A 744 9.565 -8.147 -3.523 1.00 0.00 C ATOM 353 C SER A 744 9.108 -7.666 -2.151 1.00 0.00 C ATOM 354 O SER A 744 7.953 -7.277 -1.965 1.00 0.00 O ATOM 355 CB SER A 744 9.582 -9.675 -3.563 1.00 0.00 C ATOM 356 OG SER A 744 10.056 -10.147 -4.813 1.00 0.00 O ATOM 0 H SER A 744 11.582 -8.319 -4.075 1.00 0.00 H new ATOM 0 HA SER A 744 8.864 -7.786 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.216 -10.056 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.577 -10.058 -3.383 1.00 0.00 H new ATOM 0 HG SER A 744 10.059 -11.127 -4.813 1.00 0.00 H new ATOM 362 N LYS A 745 10.034 -7.675 -1.199 1.00 0.00 N ATOM 363 CA LYS A 745 9.740 -7.221 0.151 1.00 0.00 C ATOM 364 C LYS A 745 9.442 -5.731 0.130 1.00 0.00 C ATOM 365 O LYS A 745 8.594 -5.239 0.875 1.00 0.00 O ATOM 366 CB LYS A 745 10.917 -7.513 1.083 1.00 0.00 C ATOM 367 CG LYS A 745 10.763 -8.804 1.871 1.00 0.00 C ATOM 368 CD LYS A 745 12.083 -9.551 1.981 1.00 0.00 C ATOM 369 CE LYS A 745 12.244 -10.197 3.347 1.00 0.00 C ATOM 370 NZ LYS A 745 13.623 -10.720 3.555 1.00 0.00 N ATOM 0 H LYS A 745 10.993 -7.992 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 745 8.868 -7.758 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.833 -7.564 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 745 11.032 -6.683 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.387 -8.580 2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 745 10.023 -9.441 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.135 -10.316 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 745 12.908 -8.862 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.011 -9.468 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 745 11.527 -11.012 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 13.692 -11.153 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 13.836 -11.434 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 14.305 -9.939 3.482 1.00 0.00 H new ATOM 384 N PHE A 746 10.145 -5.019 -0.746 1.00 0.00 N ATOM 385 CA PHE A 746 9.959 -3.585 -0.886 1.00 0.00 C ATOM 386 C PHE A 746 8.585 -3.297 -1.469 1.00 0.00 C ATOM 387 O PHE A 746 7.893 -2.381 -1.030 1.00 0.00 O ATOM 388 CB PHE A 746 11.047 -2.991 -1.780 1.00 0.00 C ATOM 389 CG PHE A 746 10.990 -1.493 -1.874 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.068 -0.712 -0.731 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.857 -0.865 -3.102 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.015 0.667 -0.811 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.803 0.514 -3.189 1.00 0.00 C ATOM 394 CZ PHE A 746 10.882 1.281 -2.042 1.00 0.00 C ATOM 0 H PHE A 746 10.849 -5.416 -1.369 1.00 0.00 H new ATOM 0 HA PHE A 746 10.031 -3.123 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 746 12.024 -3.287 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.956 -3.414 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.171 -1.187 0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.795 -1.459 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.077 1.264 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.699 0.991 -4.152 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.840 2.358 -2.108 1.00 0.00 H new ATOM 404 N GLU A 747 8.186 -4.102 -2.449 1.00 0.00 N ATOM 405 CA GLU A 747 6.881 -3.947 -3.075 1.00 0.00 C ATOM 406 C GLU A 747 5.788 -4.143 -2.035 1.00 0.00 C ATOM 407 O GLU A 747 4.780 -3.436 -2.030 1.00 0.00 O ATOM 408 CB GLU A 747 6.710 -4.953 -4.215 1.00 0.00 C ATOM 409 CG GLU A 747 7.219 -4.447 -5.556 1.00 0.00 C ATOM 410 CD GLU A 747 6.410 -3.276 -6.082 1.00 0.00 C ATOM 411 OE1 GLU A 747 5.164 -3.354 -6.049 1.00 0.00 O ATOM 412 OE2 GLU A 747 7.023 -2.284 -6.528 1.00 0.00 O ATOM 0 H GLU A 747 8.748 -4.866 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 747 6.806 -2.942 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.237 -5.872 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.654 -5.207 -4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 747 8.262 -4.147 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.190 -5.260 -6.282 1.00 0.00 H new ATOM 419 N GLU A 748 6.009 -5.104 -1.145 1.00 0.00 N ATOM 420 CA GLU A 748 5.060 -5.398 -0.079 1.00 0.00 C ATOM 421 C GLU A 748 5.042 -4.272 0.946 1.00 0.00 C ATOM 422 O GLU A 748 3.983 -3.873 1.429 1.00 0.00 O ATOM 423 CB GLU A 748 5.425 -6.715 0.604 1.00 0.00 C ATOM 424 CG GLU A 748 5.099 -7.944 -0.226 1.00 0.00 C ATOM 425 CD GLU A 748 5.350 -9.238 0.525 1.00 0.00 C ATOM 426 OE1 GLU A 748 4.757 -9.420 1.609 1.00 0.00 O ATOM 427 OE2 GLU A 748 6.140 -10.068 0.029 1.00 0.00 O ATOM 0 H GLU A 748 6.841 -5.695 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 748 4.067 -5.488 -0.519 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.491 -6.713 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.897 -6.779 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 748 4.054 -7.904 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.700 -7.934 -1.135 1.00 0.00 H new ATOM 434 N HIS A 749 6.225 -3.760 1.266 1.00 0.00 N ATOM 435 CA HIS A 749 6.356 -2.671 2.226 1.00 0.00 C ATOM 436 C HIS A 749 5.667 -1.424 1.690 1.00 0.00 C ATOM 437 O HIS A 749 4.855 -0.803 2.376 1.00 0.00 O ATOM 438 CB HIS A 749 7.841 -2.406 2.509 1.00 0.00 C ATOM 439 CG HIS A 749 8.148 -1.015 2.970 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.252 -0.650 4.293 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.394 0.110 2.251 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.551 0.656 4.335 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.648 1.162 3.122 1.00 0.00 N ATOM 0 H HIS A 749 7.109 -4.083 0.873 1.00 0.00 H new ATOM 0 HA HIS A 749 5.874 -2.949 3.163 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.184 -3.110 3.267 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.412 -2.609 1.603 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.124 -1.264 5.098 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.392 0.177 1.173 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.694 1.220 5.245 1.00 0.00 H new ATOM 451 N VAL A 750 5.984 -1.077 0.451 1.00 0.00 N ATOM 452 CA VAL A 750 5.382 0.081 -0.193 1.00 0.00 C ATOM 453 C VAL A 750 3.870 -0.100 -0.280 1.00 0.00 C ATOM 454 O VAL A 750 3.107 0.844 -0.080 1.00 0.00 O ATOM 455 CB VAL A 750 5.956 0.292 -1.608 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.232 1.420 -2.332 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.451 0.567 -1.544 1.00 0.00 C ATOM 0 H VAL A 750 6.655 -1.581 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 750 5.614 0.960 0.409 1.00 0.00 H new ATOM 0 HB VAL A 750 5.798 -0.625 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.658 1.546 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.173 1.176 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.346 2.346 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.838 0.713 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.631 1.465 -0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.957 -0.280 -1.081 1.00 0.00 H new ATOM 467 N GLU A 751 3.448 -1.326 -0.570 1.00 0.00 N ATOM 468 CA GLU A 751 2.029 -1.646 -0.675 1.00 0.00 C ATOM 469 C GLU A 751 1.370 -1.628 0.700 1.00 0.00 C ATOM 470 O GLU A 751 0.177 -1.360 0.824 1.00 0.00 O ATOM 471 CB GLU A 751 1.840 -3.016 -1.326 1.00 0.00 C ATOM 472 CG GLU A 751 2.184 -3.040 -2.806 1.00 0.00 C ATOM 473 CD GLU A 751 2.542 -4.428 -3.299 1.00 0.00 C ATOM 474 OE1 GLU A 751 1.912 -5.403 -2.838 1.00 0.00 O ATOM 475 OE2 GLU A 751 3.452 -4.541 -4.146 1.00 0.00 O ATOM 0 H GLU A 751 4.070 -2.117 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 751 1.554 -0.889 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.461 -3.745 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.804 -3.330 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.337 -2.663 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 751 3.020 -2.366 -2.992 1.00 0.00 H new ATOM 482 N SER A 752 2.158 -1.913 1.734 1.00 0.00 N ATOM 483 CA SER A 752 1.648 -1.924 3.098 1.00 0.00 C ATOM 484 C SER A 752 1.031 -0.573 3.446 1.00 0.00 C ATOM 485 O SER A 752 0.000 -0.502 4.115 1.00 0.00 O ATOM 486 CB SER A 752 2.770 -2.259 4.084 1.00 0.00 C ATOM 487 OG SER A 752 2.345 -3.224 5.031 1.00 0.00 O ATOM 0 H SER A 752 3.149 -2.139 1.651 1.00 0.00 H new ATOM 0 HA SER A 752 0.877 -2.691 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.636 -2.636 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.087 -1.353 4.600 1.00 0.00 H new ATOM 0 HG SER A 752 3.080 -3.422 5.648 1.00 0.00 H new ATOM 493 N HIS A 753 1.670 0.494 2.981 1.00 0.00 N ATOM 494 CA HIS A 753 1.185 1.848 3.236 1.00 0.00 C ATOM 495 C HIS A 753 -0.086 2.137 2.438 1.00 0.00 C ATOM 496 O HIS A 753 -0.878 3.001 2.811 1.00 0.00 O ATOM 497 CB HIS A 753 2.255 2.879 2.870 1.00 0.00 C ATOM 498 CG HIS A 753 3.591 2.611 3.485 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.922 2.950 4.778 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.696 2.028 2.955 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.190 2.575 4.989 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.705 2.009 3.915 1.00 0.00 N ATOM 0 H HIS A 753 2.524 0.450 2.426 1.00 0.00 H new ATOM 0 HA HIS A 753 0.958 1.921 4.300 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.364 2.906 1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.915 3.867 3.180 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.310 3.406 5.455 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.780 1.641 1.950 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.722 2.718 5.918 1.00 0.00 H new ATOM 510 N TRP A 754 -0.268 1.417 1.336 1.00 0.00 N ATOM 511 CA TRP A 754 -1.436 1.608 0.484 1.00 0.00 C ATOM 512 C TRP A 754 -2.714 1.171 1.187 1.00 0.00 C ATOM 513 O TRP A 754 -2.682 0.366 2.118 1.00 0.00 O ATOM 514 CB TRP A 754 -1.279 0.824 -0.820 1.00 0.00 C ATOM 515 CG TRP A 754 -0.329 1.461 -1.785 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.758 2.224 -1.480 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.386 1.392 -3.212 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.382 2.636 -2.632 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.698 2.138 -3.709 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.248 0.770 -4.117 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.942 2.280 -5.071 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.005 0.910 -5.471 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.082 1.660 -5.937 1.00 0.00 C ATOM 0 H TRP A 754 0.378 0.697 1.012 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.510 2.673 0.263 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.931 -0.183 -0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.255 0.724 -1.295 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.081 2.469 -0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.218 3.218 -2.678 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.089 0.190 -3.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.780 2.858 -5.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.664 0.433 -6.181 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.245 1.751 -7.001 1.00 0.00 H new ATOM 534 N LYS A 755 -3.841 1.699 0.721 1.00 0.00 N ATOM 535 CA LYS A 755 -5.139 1.356 1.285 1.00 0.00 C ATOM 536 C LYS A 755 -5.664 0.092 0.624 1.00 0.00 C ATOM 537 O LYS A 755 -5.906 0.074 -0.577 1.00 0.00 O ATOM 538 CB LYS A 755 -6.125 2.507 1.078 1.00 0.00 C ATOM 539 CG LYS A 755 -6.014 3.603 2.127 1.00 0.00 C ATOM 540 CD LYS A 755 -6.085 4.985 1.496 1.00 0.00 C ATOM 541 CE LYS A 755 -6.773 5.982 2.416 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.792 6.825 3.153 1.00 0.00 N ATOM 0 H LYS A 755 -3.880 2.368 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.029 1.181 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.960 2.942 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.140 2.110 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.816 3.493 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.074 3.497 2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.078 5.334 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.625 4.928 0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.433 6.621 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -7.399 5.446 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.274 7.318 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -5.037 6.222 3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.378 7.524 2.504 1.00 0.00 H new ATOM 556 N VAL A 756 -5.816 -0.973 1.402 1.00 0.00 N ATOM 557 CA VAL A 756 -6.289 -2.236 0.852 1.00 0.00 C ATOM 558 C VAL A 756 -7.566 -2.718 1.523 1.00 0.00 C ATOM 559 O VAL A 756 -7.690 -2.709 2.747 1.00 0.00 O ATOM 560 CB VAL A 756 -5.217 -3.334 0.974 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.663 -4.608 0.273 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.900 -2.841 0.404 1.00 0.00 C ATOM 0 H VAL A 756 -5.621 -0.988 2.403 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.502 -2.045 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.077 -3.565 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.889 -5.369 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.587 -4.968 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.834 -4.401 -0.783 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.148 -3.625 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -4.032 -2.585 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.573 -1.959 0.954 1.00 0.00 H new ATOM 572 N CYS A 757 -8.505 -3.157 0.696 1.00 0.00 N ATOM 573 CA CYS A 757 -9.780 -3.670 1.179 1.00 0.00 C ATOM 574 C CYS A 757 -9.610 -5.100 1.695 1.00 0.00 C ATOM 575 O CYS A 757 -9.018 -5.941 1.019 1.00 0.00 O ATOM 576 CB CYS A 757 -10.820 -3.631 0.058 1.00 0.00 C ATOM 577 SG CYS A 757 -12.483 -4.116 0.575 1.00 0.00 S ATOM 0 H CYS A 757 -8.407 -3.168 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.126 -3.041 1.999 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.859 -2.622 -0.352 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.495 -4.290 -0.747 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.783 -5.266 0.048 1.00 0.00 H new ATOM 582 N PRO A 758 -10.110 -5.394 2.909 1.00 0.00 N ATOM 583 CA PRO A 758 -9.987 -6.721 3.512 1.00 0.00 C ATOM 584 C PRO A 758 -11.108 -7.679 3.111 1.00 0.00 C ATOM 585 O PRO A 758 -11.059 -8.865 3.436 1.00 0.00 O ATOM 586 CB PRO A 758 -10.063 -6.409 5.002 1.00 0.00 C ATOM 587 CG PRO A 758 -10.973 -5.228 5.092 1.00 0.00 C ATOM 588 CD PRO A 758 -10.814 -4.455 3.804 1.00 0.00 C ATOM 0 HA PRO A 758 -9.077 -7.230 3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.455 -7.256 5.565 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -9.078 -6.183 5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -12.007 -5.546 5.227 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.716 -4.607 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.780 -4.160 3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.240 -3.541 3.955 1.00 0.00 H new ATOM 596 N MET A 759 -12.120 -7.168 2.416 1.00 0.00 N ATOM 597 CA MET A 759 -13.242 -8.002 1.998 1.00 0.00 C ATOM 598 C MET A 759 -12.962 -8.683 0.660 1.00 0.00 C ATOM 599 O MET A 759 -13.505 -9.750 0.374 1.00 0.00 O ATOM 600 CB MET A 759 -14.517 -7.164 1.908 1.00 0.00 C ATOM 601 CG MET A 759 -15.013 -6.673 3.260 1.00 0.00 C ATOM 602 SD MET A 759 -15.287 -8.014 4.432 1.00 0.00 S ATOM 603 CE MET A 759 -15.054 -7.155 5.985 1.00 0.00 C ATOM 0 H MET A 759 -12.187 -6.190 2.133 1.00 0.00 H new ATOM 0 HA MET A 759 -13.379 -8.781 2.748 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.334 -6.305 1.263 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.300 -7.757 1.435 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.287 -5.975 3.677 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.943 -6.121 3.122 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.768 -7.870 6.757 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.269 -6.408 5.873 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.984 -6.664 6.272 1.00 0.00 H new ATOM 613 N CYS A 760 -12.113 -8.065 -0.155 1.00 0.00 N ATOM 614 CA CYS A 760 -11.767 -8.628 -1.459 1.00 0.00 C ATOM 615 C CYS A 760 -10.251 -8.691 -1.660 1.00 0.00 C ATOM 616 O CYS A 760 -9.755 -9.518 -2.425 1.00 0.00 O ATOM 617 CB CYS A 760 -12.408 -7.808 -2.578 1.00 0.00 C ATOM 618 SG CYS A 760 -11.712 -6.154 -2.765 1.00 0.00 S ATOM 0 H CYS A 760 -11.654 -7.180 0.061 1.00 0.00 H new ATOM 0 HA CYS A 760 -12.154 -9.647 -1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.297 -8.347 -3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.477 -7.722 -2.385 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.585 -5.270 -2.383 1.00 0.00 H new ATOM 623 N SER A 761 -9.522 -7.811 -0.967 1.00 0.00 N ATOM 624 CA SER A 761 -8.060 -7.757 -1.055 1.00 0.00 C ATOM 625 C SER A 761 -7.595 -6.895 -2.229 1.00 0.00 C ATOM 626 O SER A 761 -6.634 -7.237 -2.918 1.00 0.00 O ATOM 627 CB SER A 761 -7.460 -9.164 -1.170 1.00 0.00 C ATOM 628 OG SER A 761 -6.322 -9.301 -0.337 1.00 0.00 O ATOM 0 H SER A 761 -9.925 -7.121 -0.334 1.00 0.00 H new ATOM 0 HA SER A 761 -7.704 -7.297 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 761 -8.209 -9.906 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.183 -9.361 -2.206 1.00 0.00 H new ATOM 0 HG SER A 761 -5.958 -10.207 -0.426 1.00 0.00 H new ATOM 634 N GLU A 762 -8.268 -5.766 -2.440 1.00 0.00 N ATOM 635 CA GLU A 762 -7.901 -4.850 -3.516 1.00 0.00 C ATOM 636 C GLU A 762 -6.911 -3.818 -3.007 1.00 0.00 C ATOM 637 O GLU A 762 -6.956 -3.435 -1.839 1.00 0.00 O ATOM 638 CB GLU A 762 -9.138 -4.144 -4.078 1.00 0.00 C ATOM 639 CG GLU A 762 -8.923 -3.554 -5.463 1.00 0.00 C ATOM 640 CD GLU A 762 -8.927 -2.038 -5.460 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.030 -1.443 -4.828 1.00 0.00 O ATOM 642 OE2 GLU A 762 -9.829 -1.446 -6.089 1.00 0.00 O ATOM 0 H GLU A 762 -9.067 -5.465 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.440 -5.431 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.965 -4.853 -4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.434 -3.348 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -7.973 -3.910 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -9.704 -3.914 -6.132 1.00 0.00 H new ATOM 649 N GLN A 763 -6.015 -3.367 -3.878 1.00 0.00 N ATOM 650 CA GLN A 763 -5.030 -2.377 -3.475 1.00 0.00 C ATOM 651 C GLN A 763 -5.375 -1.007 -4.040 1.00 0.00 C ATOM 652 O GLN A 763 -5.647 -0.855 -5.231 1.00 0.00 O ATOM 653 CB GLN A 763 -3.636 -2.796 -3.948 1.00 0.00 C ATOM 654 CG GLN A 763 -2.830 -3.536 -2.893 1.00 0.00 C ATOM 655 CD GLN A 763 -1.364 -3.144 -2.898 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.489 -3.975 -3.141 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.089 -1.873 -2.627 1.00 0.00 N ATOM 0 H GLN A 763 -5.952 -3.666 -4.851 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.037 -2.315 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.736 -3.431 -4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.085 -1.908 -4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.253 -3.333 -1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.916 -4.609 -3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.846 -1.218 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.121 -1.552 -2.615 1.00 0.00 H new ATOM 666 N PHE A 764 -5.344 -0.013 -3.167 1.00 0.00 N ATOM 667 CA PHE A 764 -5.633 1.364 -3.543 1.00 0.00 C ATOM 668 C PHE A 764 -4.420 2.258 -3.287 1.00 0.00 C ATOM 669 O PHE A 764 -3.921 2.322 -2.161 1.00 0.00 O ATOM 670 CB PHE A 764 -6.845 1.884 -2.766 1.00 0.00 C ATOM 671 CG PHE A 764 -8.104 1.107 -3.030 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.353 -0.083 -2.364 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.038 1.565 -3.946 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.507 -0.800 -2.606 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.194 0.851 -4.192 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.430 -0.333 -3.520 1.00 0.00 C ATOM 0 H PHE A 764 -5.119 -0.136 -2.180 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.862 1.388 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.624 1.851 -1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.012 2.930 -3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.635 -0.453 -1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.860 2.491 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.688 -1.726 -2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.913 1.218 -4.909 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.335 -0.892 -3.709 1.00 0.00 H new ATOM 686 N PRO A 765 -3.924 2.965 -4.318 1.00 0.00 N ATOM 687 CA PRO A 765 -2.765 3.852 -4.172 1.00 0.00 C ATOM 688 C PRO A 765 -3.000 4.935 -3.124 1.00 0.00 C ATOM 689 O PRO A 765 -4.143 5.258 -2.799 1.00 0.00 O ATOM 690 CB PRO A 765 -2.608 4.479 -5.561 1.00 0.00 C ATOM 691 CG PRO A 765 -3.297 3.536 -6.484 1.00 0.00 C ATOM 692 CD PRO A 765 -4.440 2.961 -5.698 1.00 0.00 C ATOM 0 HA PRO A 765 -1.880 3.311 -3.837 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.058 5.471 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.557 4.595 -5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.655 4.052 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.619 2.751 -6.820 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.342 3.566 -5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.694 1.955 -6.032 1.00 0.00 H new ATOM 700 N PRO A 766 -1.917 5.509 -2.575 1.00 0.00 N ATOM 701 CA PRO A 766 -2.009 6.557 -1.553 1.00 0.00 C ATOM 702 C PRO A 766 -2.657 7.829 -2.087 1.00 0.00 C ATOM 703 O PRO A 766 -3.186 8.635 -1.321 1.00 0.00 O ATOM 704 CB PRO A 766 -0.548 6.818 -1.170 1.00 0.00 C ATOM 705 CG PRO A 766 0.247 6.338 -2.334 1.00 0.00 C ATOM 706 CD PRO A 766 -0.520 5.180 -2.904 1.00 0.00 C ATOM 0 HA PRO A 766 -2.632 6.251 -0.712 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.372 7.877 -0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.277 6.283 -0.260 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.371 7.128 -3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.246 6.031 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.370 5.088 -3.980 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.213 4.234 -2.457 1.00 0.00 H new ATOM 714 N ASP A 767 -2.619 8.002 -3.404 1.00 0.00 N ATOM 715 CA ASP A 767 -3.210 9.175 -4.037 1.00 0.00 C ATOM 716 C ASP A 767 -4.717 8.998 -4.217 1.00 0.00 C ATOM 717 O ASP A 767 -5.431 9.953 -4.525 1.00 0.00 O ATOM 718 CB ASP A 767 -2.551 9.436 -5.392 1.00 0.00 C ATOM 719 CG ASP A 767 -1.219 10.148 -5.260 1.00 0.00 C ATOM 720 OD1 ASP A 767 -1.213 11.326 -4.843 1.00 0.00 O ATOM 721 OD2 ASP A 767 -0.181 9.528 -5.573 1.00 0.00 O ATOM 0 H ASP A 767 -2.186 7.345 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.039 10.032 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.403 8.488 -5.910 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.221 10.035 -6.009 1.00 0.00 H new ATOM 726 N TYR A 768 -5.197 7.771 -4.022 1.00 0.00 N ATOM 727 CA TYR A 768 -6.616 7.474 -4.161 1.00 0.00 C ATOM 728 C TYR A 768 -7.421 8.125 -3.043 1.00 0.00 C ATOM 729 O TYR A 768 -6.983 8.167 -1.893 1.00 0.00 O ATOM 730 CB TYR A 768 -6.843 5.961 -4.147 1.00 0.00 C ATOM 731 CG TYR A 768 -7.925 5.502 -5.099 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.687 5.416 -6.465 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.185 5.153 -4.630 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.674 4.998 -7.336 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.177 4.732 -5.495 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.917 4.656 -6.846 1.00 0.00 C ATOM 737 OH TYR A 768 -10.902 4.238 -7.711 1.00 0.00 O ATOM 0 H TYR A 768 -4.622 6.968 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.954 7.881 -5.114 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.909 5.460 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.105 5.651 -3.136 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.714 5.680 -6.852 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.393 5.212 -3.572 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.473 4.939 -8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.151 4.464 -5.114 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.624 3.813 -7.203 1.00 0.00 H new ATOM 747 N ASP A 769 -8.602 8.629 -3.385 1.00 0.00 N ATOM 748 CA ASP A 769 -9.467 9.273 -2.405 1.00 0.00 C ATOM 749 C ASP A 769 -10.049 8.242 -1.444 1.00 0.00 C ATOM 750 O ASP A 769 -10.673 7.269 -1.866 1.00 0.00 O ATOM 751 CB ASP A 769 -10.597 10.028 -3.108 1.00 0.00 C ATOM 752 CG ASP A 769 -10.921 11.345 -2.429 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.183 12.326 -2.653 1.00 0.00 O ATOM 754 OD2 ASP A 769 -11.914 11.392 -1.671 1.00 0.00 O ATOM 0 H ASP A 769 -8.981 8.604 -4.332 1.00 0.00 H new ATOM 0 HA ASP A 769 -8.868 9.983 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -10.315 10.216 -4.144 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.490 9.403 -3.129 1.00 0.00 H new ATOM 759 N GLN A 770 -9.838 8.459 -0.151 1.00 0.00 N ATOM 760 CA GLN A 770 -10.340 7.545 0.870 1.00 0.00 C ATOM 761 C GLN A 770 -11.848 7.363 0.742 1.00 0.00 C ATOM 762 O GLN A 770 -12.384 6.304 1.070 1.00 0.00 O ATOM 763 CB GLN A 770 -9.991 8.064 2.266 1.00 0.00 C ATOM 764 CG GLN A 770 -10.458 7.151 3.389 1.00 0.00 C ATOM 765 CD GLN A 770 -9.309 6.595 4.206 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.406 7.329 4.609 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.336 5.291 4.456 1.00 0.00 N ATOM 0 H GLN A 770 -9.323 9.259 0.216 1.00 0.00 H new ATOM 0 HA GLN A 770 -9.862 6.576 0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -8.911 8.191 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.438 9.049 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.131 7.703 4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.031 6.326 2.966 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.104 4.720 4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -8.589 4.861 5.001 1.00 0.00 H new ATOM 776 N GLN A 771 -12.529 8.398 0.259 1.00 0.00 N ATOM 777 CA GLN A 771 -13.975 8.342 0.085 1.00 0.00 C ATOM 778 C GLN A 771 -14.352 7.217 -0.873 1.00 0.00 C ATOM 779 O GLN A 771 -15.266 6.436 -0.604 1.00 0.00 O ATOM 780 CB GLN A 771 -14.500 9.679 -0.443 1.00 0.00 C ATOM 781 CG GLN A 771 -14.962 10.625 0.653 1.00 0.00 C ATOM 782 CD GLN A 771 -16.193 11.417 0.258 1.00 0.00 C ATOM 783 OE1 GLN A 771 -17.305 11.111 0.686 1.00 0.00 O ATOM 784 NE2 GLN A 771 -15.999 12.442 -0.564 1.00 0.00 N ATOM 0 H GLN A 771 -12.103 9.283 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.431 8.144 1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -13.716 10.164 -1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.331 9.491 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -15.177 10.053 1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -14.154 11.314 0.898 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -15.059 12.660 -0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -16.790 13.011 -0.865 1.00 0.00 H new ATOM 793 N VAL A 772 -13.632 7.133 -1.988 1.00 0.00 N ATOM 794 CA VAL A 772 -13.884 6.097 -2.980 1.00 0.00 C ATOM 795 C VAL A 772 -13.543 4.725 -2.413 1.00 0.00 C ATOM 796 O VAL A 772 -14.295 3.767 -2.582 1.00 0.00 O ATOM 797 CB VAL A 772 -13.067 6.331 -4.265 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.472 5.338 -5.343 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.236 7.761 -4.756 1.00 0.00 C ATOM 0 H VAL A 772 -12.871 7.769 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 772 -14.944 6.140 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.013 6.174 -4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.885 5.518 -6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.291 4.323 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.531 5.460 -5.570 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.651 7.905 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.288 7.951 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -12.890 8.453 -3.988 1.00 0.00 H new ATOM 809 N PHE A 773 -12.405 4.643 -1.728 1.00 0.00 N ATOM 810 CA PHE A 773 -11.970 3.392 -1.123 1.00 0.00 C ATOM 811 C PHE A 773 -12.978 2.937 -0.075 1.00 0.00 C ATOM 812 O PHE A 773 -13.449 1.801 -0.107 1.00 0.00 O ATOM 813 CB PHE A 773 -10.588 3.557 -0.485 1.00 0.00 C ATOM 814 CG PHE A 773 -10.175 2.387 0.367 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.228 1.092 -0.129 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.742 2.584 1.668 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.855 0.021 0.658 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.370 1.515 2.458 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.426 0.232 1.954 1.00 0.00 C ATOM 0 H PHE A 773 -11.770 5.428 -1.580 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.905 2.635 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.848 3.702 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.584 4.460 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.564 0.920 -1.141 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.695 3.586 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.899 -0.982 0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.035 1.683 3.471 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.135 -0.605 2.571 1.00 0.00 H new ATOM 829 N GLU A 774 -13.311 3.835 0.848 1.00 0.00 N ATOM 830 CA GLU A 774 -14.273 3.526 1.900 1.00 0.00 C ATOM 831 C GLU A 774 -15.583 3.042 1.292 1.00 0.00 C ATOM 832 O GLU A 774 -16.226 2.133 1.814 1.00 0.00 O ATOM 833 CB GLU A 774 -14.522 4.754 2.778 1.00 0.00 C ATOM 834 CG GLU A 774 -13.527 4.899 3.917 1.00 0.00 C ATOM 835 CD GLU A 774 -13.949 4.139 5.160 1.00 0.00 C ATOM 836 OE1 GLU A 774 -15.089 4.348 5.626 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.139 3.334 5.667 1.00 0.00 O ATOM 0 H GLU A 774 -12.930 4.780 0.888 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.859 2.733 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.483 5.649 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.529 4.697 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -12.551 4.540 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.413 5.955 4.162 1.00 0.00 H new ATOM 844 N ARG A 775 -15.962 3.649 0.172 1.00 0.00 N ATOM 845 CA ARG A 775 -17.184 3.273 -0.525 1.00 0.00 C ATOM 846 C ARG A 775 -17.071 1.843 -1.041 1.00 0.00 C ATOM 847 O ARG A 775 -18.021 1.064 -0.971 1.00 0.00 O ATOM 848 CB ARG A 775 -17.445 4.232 -1.689 1.00 0.00 C ATOM 849 CG ARG A 775 -18.545 5.243 -1.413 1.00 0.00 C ATOM 850 CD ARG A 775 -19.839 4.862 -2.114 1.00 0.00 C ATOM 851 NE ARG A 775 -20.887 5.860 -1.911 1.00 0.00 N ATOM 852 CZ ARG A 775 -21.627 5.942 -0.808 1.00 0.00 C ATOM 853 NH1 ARG A 775 -21.436 5.094 0.195 1.00 0.00 N ATOM 854 NH2 ARG A 775 -22.561 6.878 -0.706 1.00 0.00 N ATOM 0 H ARG A 775 -15.439 4.404 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.019 3.333 0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -16.524 4.766 -1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.710 3.652 -2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -18.718 5.310 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -18.226 6.230 -1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -19.652 4.745 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -20.182 3.896 -1.743 1.00 0.00 H new ATOM 0 HE ARG A 775 -21.061 6.533 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -20.718 4.373 0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -22.007 5.163 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -22.711 7.534 -1.472 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -23.129 6.942 0.139 1.00 0.00 H new ATOM 868 N HIS A 776 -15.893 1.510 -1.557 1.00 0.00 N ATOM 869 CA HIS A 776 -15.628 0.179 -2.087 1.00 0.00 C ATOM 870 C HIS A 776 -15.595 -0.853 -0.962 1.00 0.00 C ATOM 871 O HIS A 776 -16.196 -1.920 -1.068 1.00 0.00 O ATOM 872 CB HIS A 776 -14.303 0.178 -2.854 1.00 0.00 C ATOM 873 CG HIS A 776 -13.643 -1.164 -2.940 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.719 -1.990 -4.040 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.873 -1.821 -2.034 1.00 0.00 C ATOM 876 CE1 HIS A 776 -13.011 -3.094 -3.772 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.477 -3.038 -2.569 1.00 0.00 N ATOM 0 H HIS A 776 -15.101 2.150 -1.619 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.432 -0.091 -2.771 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.481 0.548 -3.864 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.618 0.877 -2.374 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.224 -1.795 -4.904 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.611 -1.454 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.893 -3.923 -4.454 1.00 0.00 H new ATOM 885 N VAL A 777 -14.892 -0.531 0.117 1.00 0.00 N ATOM 886 CA VAL A 777 -14.802 -1.441 1.250 1.00 0.00 C ATOM 887 C VAL A 777 -16.169 -1.591 1.901 1.00 0.00 C ATOM 888 O VAL A 777 -16.578 -2.690 2.276 1.00 0.00 O ATOM 889 CB VAL A 777 -13.784 -0.974 2.310 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.238 -2.166 3.079 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.650 -0.186 1.678 1.00 0.00 C ATOM 0 H VAL A 777 -14.381 0.344 0.231 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.456 -2.398 0.861 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.302 -0.313 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.521 -1.821 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.058 -2.684 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.744 -2.849 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -11.950 0.129 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.131 -0.813 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.054 0.693 1.175 1.00 0.00 H new ATOM 901 N GLN A 778 -16.883 -0.474 2.009 1.00 0.00 N ATOM 902 CA GLN A 778 -18.219 -0.472 2.587 1.00 0.00 C ATOM 903 C GLN A 778 -19.166 -1.272 1.702 1.00 0.00 C ATOM 904 O GLN A 778 -20.115 -1.892 2.183 1.00 0.00 O ATOM 905 CB GLN A 778 -18.732 0.963 2.741 1.00 0.00 C ATOM 906 CG GLN A 778 -18.165 1.687 3.950 1.00 0.00 C ATOM 907 CD GLN A 778 -18.704 1.143 5.257 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.902 0.898 5.395 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.818 0.952 6.229 1.00 0.00 N ATOM 0 H GLN A 778 -16.556 0.442 1.702 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.175 -0.933 3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.484 1.527 1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.819 0.945 2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.078 1.601 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.401 2.749 3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.834 1.168 6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.122 0.589 7.132 1.00 0.00 H new ATOM 918 N THR A 779 -18.886 -1.260 0.402 1.00 0.00 N ATOM 919 CA THR A 779 -19.692 -1.989 -0.567 1.00 0.00 C ATOM 920 C THR A 779 -19.698 -3.480 -0.238 1.00 0.00 C ATOM 921 O THR A 779 -20.638 -4.198 -0.579 1.00 0.00 O ATOM 922 CB THR A 779 -19.151 -1.747 -1.982 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.416 -0.419 -2.395 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.731 -2.671 -3.029 1.00 0.00 C ATOM 0 H THR A 779 -18.102 -0.750 -0.005 1.00 0.00 H new ATOM 0 HA THR A 779 -20.719 -1.627 -0.520 1.00 0.00 H new ATOM 0 HB THR A 779 -18.081 -1.943 -1.910 1.00 0.00 H new ATOM 0 HG1 THR A 779 -18.615 0.131 -2.263 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.298 -2.436 -4.001 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.501 -3.704 -2.770 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.812 -2.539 -3.072 1.00 0.00 H new ATOM 932 N HIS A 780 -18.646 -3.934 0.435 1.00 0.00 N ATOM 933 CA HIS A 780 -18.527 -5.333 0.821 1.00 0.00 C ATOM 934 C HIS A 780 -19.266 -5.597 2.128 1.00 0.00 C ATOM 935 O HIS A 780 -19.769 -6.697 2.359 1.00 0.00 O ATOM 936 CB HIS A 780 -17.054 -5.711 0.975 1.00 0.00 C ATOM 937 CG HIS A 780 -16.281 -5.643 -0.303 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.365 -6.589 -1.299 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.396 -4.712 -0.742 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.545 -6.216 -2.289 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.935 -5.082 -2.002 1.00 0.00 N ATOM 0 H HIS A 780 -17.862 -3.350 0.725 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.976 -5.944 0.038 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.592 -5.047 1.705 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.987 -6.722 1.377 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.948 -7.426 -1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.098 -3.826 -0.201 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.401 -6.771 -3.204 1.00 0.00 H new ATOM 949 N PHE A 781 -19.328 -4.579 2.982 1.00 0.00 N ATOM 950 CA PHE A 781 -20.004 -4.697 4.269 1.00 0.00 C ATOM 951 C PHE A 781 -21.518 -4.774 4.085 1.00 0.00 C ATOM 952 O PHE A 781 -22.223 -5.362 4.905 1.00 0.00 O ATOM 953 CB PHE A 781 -19.647 -3.508 5.167 1.00 0.00 C ATOM 954 CG PHE A 781 -18.166 -3.277 5.315 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.255 -4.294 5.068 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.688 -2.038 5.704 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.898 -4.076 5.207 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.332 -1.814 5.845 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.436 -2.835 5.596 1.00 0.00 C ATOM 0 H PHE A 781 -18.917 -3.662 2.805 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.667 -5.618 4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.106 -2.607 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -20.080 -3.668 6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.611 -5.267 4.764 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.384 -1.236 5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.199 -4.876 5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.973 -0.842 6.149 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.375 -2.663 5.706 1.00 0.00 H new ATOM 969 N ASP A 782 -22.010 -4.179 3.003 1.00 0.00 N ATOM 970 CA ASP A 782 -23.439 -4.182 2.712 1.00 0.00 C ATOM 971 C ASP A 782 -23.832 -5.417 1.904 1.00 0.00 C ATOM 972 O ASP A 782 -24.995 -5.821 1.899 1.00 0.00 O ATOM 973 CB ASP A 782 -23.828 -2.915 1.949 1.00 0.00 C ATOM 974 CG ASP A 782 -25.276 -2.528 2.171 1.00 0.00 C ATOM 975 OD1 ASP A 782 -26.159 -3.129 1.523 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.530 -1.622 2.993 1.00 0.00 O ATOM 0 H ASP A 782 -21.440 -3.689 2.313 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.975 -4.207 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.183 -2.094 2.262 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -23.655 -3.068 0.884 1.00 0.00 H new