USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 757 CYS SG : rot -110:sc= -5.61! USER MOD Set 1.2: A 760 CYS SG : rot -105:sc= -1.94 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -2.13 K(o=-14,f=-19) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -4.49! C(o=-14!,f=-15!) USER MOD Set 2.1: A 730 CYS SG : rot -127:sc= -4.08 USER MOD Set 2.2: A 733 CYS SG : rot 140:sc= -1.31 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.58 K(o=-12,f=-19!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -2.43 K(o=-12,f=-17!) USER MOD Single : A 727 HIS : no HD1:sc= -3.6! K(o=-3.6!,f=-1.2) USER MOD Single : A 728 LYS NZ :NH3+ 164:sc= 0.691 (180deg=0.531) USER MOD Single : A 729 LYS NZ :NH3+ -157:sc= 0.429 (180deg=0.212) USER MOD Single : A 736 MET CE :methyl -136:sc= -1.19 (180deg=-3.75!) USER MOD Single : A 740 ASN : amide:sc= -0.712 X(o=-0.71,f=-0.36) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.337 USER MOD Single : A 743 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.87) USER MOD Single : A 744 SER OG : rot 92:sc= -0.569 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 755 LYS NZ :NH3+ -172:sc= -0.443 (180deg=-0.565) USER MOD Single : A 759 MET CE :methyl -115:sc= -3.61 (180deg=-8.61!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -3.11! C(o=-3.1!,f=-5.6!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -1.63 X(o=-1.6,f=-1.8) USER MOD Single : A 771 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 778 GLN : amide:sc= -3.32 K(o=-3.3,f=-1.8) USER MOD Single : A 779 THR OG1 : rot 93:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.601 2.617 -1.469 1.00 0.00 N ATOM 74 CA HIS A 727 19.512 2.244 -0.574 1.00 0.00 C ATOM 75 C HIS A 727 18.157 2.465 -1.238 1.00 0.00 C ATOM 76 O HIS A 727 17.979 3.403 -2.016 1.00 0.00 O ATOM 77 CB HIS A 727 19.591 3.052 0.723 1.00 0.00 C ATOM 78 CG HIS A 727 20.516 2.460 1.739 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.036 3.180 2.795 1.00 0.00 N ATOM 80 CD2 HIS A 727 21.014 1.208 1.859 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.814 2.394 3.519 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.816 1.193 2.973 1.00 0.00 N ATOM 0 HA HIS A 727 19.615 1.184 -0.344 1.00 0.00 H new ATOM 0 HB2 HIS A 727 19.919 4.065 0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.593 3.131 1.154 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.817 0.375 1.201 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.356 2.685 4.407 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.330 0.384 3.322 1.00 0.00 H new ATOM 91 N LYS A 728 17.203 1.596 -0.923 1.00 0.00 N ATOM 92 CA LYS A 728 15.860 1.697 -1.483 1.00 0.00 C ATOM 93 C LYS A 728 14.972 2.565 -0.597 1.00 0.00 C ATOM 94 O LYS A 728 14.748 2.249 0.572 1.00 0.00 O ATOM 95 CB LYS A 728 15.243 0.305 -1.639 1.00 0.00 C ATOM 96 CG LYS A 728 15.483 -0.317 -3.006 1.00 0.00 C ATOM 97 CD LYS A 728 14.404 -1.329 -3.354 1.00 0.00 C ATOM 98 CE LYS A 728 14.566 -2.615 -2.557 1.00 0.00 C ATOM 99 NZ LYS A 728 15.155 -3.707 -3.379 1.00 0.00 N ATOM 0 H LYS A 728 17.335 0.813 -0.282 1.00 0.00 H new ATOM 0 HA LYS A 728 15.933 2.163 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.653 -0.353 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.169 0.371 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.507 0.466 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.458 -0.804 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 728 13.423 -0.898 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.444 -1.553 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 728 15.202 -2.428 -1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 728 13.595 -2.931 -2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 15.498 -4.465 -2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 14.430 -4.088 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 15.948 -3.332 -3.937 1.00 0.00 H new ATOM 113 N LYS A 729 14.475 3.663 -1.158 1.00 0.00 N ATOM 114 CA LYS A 729 13.615 4.578 -0.415 1.00 0.00 C ATOM 115 C LYS A 729 12.171 4.489 -0.897 1.00 0.00 C ATOM 116 O LYS A 729 11.877 4.751 -2.063 1.00 0.00 O ATOM 117 CB LYS A 729 14.125 6.013 -0.554 1.00 0.00 C ATOM 118 CG LYS A 729 13.797 6.895 0.639 1.00 0.00 C ATOM 119 CD LYS A 729 12.330 7.295 0.649 1.00 0.00 C ATOM 120 CE LYS A 729 12.148 8.727 1.127 1.00 0.00 C ATOM 121 NZ LYS A 729 10.831 9.286 0.714 1.00 0.00 N ATOM 0 H LYS A 729 14.653 3.941 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 729 13.643 4.288 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.206 5.993 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.695 6.457 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 729 14.037 6.366 1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 729 14.419 7.790 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 729 11.916 7.189 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 729 11.772 6.620 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 729 12.232 8.761 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 729 12.948 9.348 0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 10.884 10.325 0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 10.588 8.937 -0.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 10.100 8.987 1.390 1.00 0.00 H new ATOM 135 N CYS A 730 11.273 4.122 0.011 1.00 0.00 N ATOM 136 CA CYS A 730 9.856 4.003 -0.316 1.00 0.00 C ATOM 137 C CYS A 730 9.223 5.388 -0.460 1.00 0.00 C ATOM 138 O CYS A 730 9.538 6.303 0.299 1.00 0.00 O ATOM 139 CB CYS A 730 9.135 3.186 0.765 1.00 0.00 C ATOM 140 SG CYS A 730 7.329 3.236 0.672 1.00 0.00 S ATOM 0 H CYS A 730 11.501 3.901 0.980 1.00 0.00 H new ATOM 0 HA CYS A 730 9.756 3.484 -1.269 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.460 2.148 0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.445 3.551 1.744 1.00 0.00 H new ATOM 0 HG CYS A 730 6.845 3.598 1.823 1.00 0.00 H new ATOM 145 N PRO A 731 8.326 5.565 -1.450 1.00 0.00 N ATOM 146 CA PRO A 731 7.663 6.848 -1.697 1.00 0.00 C ATOM 147 C PRO A 731 6.458 7.095 -0.788 1.00 0.00 C ATOM 148 O PRO A 731 5.553 7.850 -1.142 1.00 0.00 O ATOM 149 CB PRO A 731 7.208 6.716 -3.147 1.00 0.00 C ATOM 150 CG PRO A 731 6.938 5.262 -3.324 1.00 0.00 C ATOM 151 CD PRO A 731 7.901 4.534 -2.419 1.00 0.00 C ATOM 0 HA PRO A 731 8.328 7.689 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.315 7.311 -3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.977 7.064 -3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 731 5.906 5.025 -3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 731 7.081 4.964 -4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 731 7.422 3.691 -1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.749 4.135 -2.976 1.00 0.00 H new ATOM 159 N LEU A 732 6.447 6.458 0.379 1.00 0.00 N ATOM 160 CA LEU A 732 5.345 6.618 1.323 1.00 0.00 C ATOM 161 C LEU A 732 5.849 6.829 2.751 1.00 0.00 C ATOM 162 O LEU A 732 5.056 7.033 3.670 1.00 0.00 O ATOM 163 CB LEU A 732 4.432 5.393 1.276 1.00 0.00 C ATOM 164 CG LEU A 732 3.752 5.148 -0.073 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.882 3.689 -0.484 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.288 5.557 -0.012 1.00 0.00 C ATOM 0 H LEU A 732 7.185 5.828 0.693 1.00 0.00 H new ATOM 0 HA LEU A 732 4.785 7.506 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.017 4.511 1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.662 5.502 2.040 1.00 0.00 H new ATOM 0 HG LEU A 732 4.251 5.760 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.392 3.537 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.937 3.428 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.411 3.056 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.819 5.376 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.778 4.972 0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.216 6.616 0.234 1.00 0.00 H new ATOM 178 N CYS A 733 7.166 6.775 2.938 1.00 0.00 N ATOM 179 CA CYS A 733 7.755 6.955 4.257 1.00 0.00 C ATOM 180 C CYS A 733 9.167 7.521 4.145 1.00 0.00 C ATOM 181 O CYS A 733 9.595 7.940 3.069 1.00 0.00 O ATOM 182 CB CYS A 733 7.780 5.620 5.002 1.00 0.00 C ATOM 183 SG CYS A 733 8.810 4.362 4.213 1.00 0.00 S ATOM 0 H CYS A 733 7.842 6.608 2.193 1.00 0.00 H new ATOM 0 HA CYS A 733 7.145 7.665 4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 733 8.141 5.788 6.017 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.761 5.242 5.085 1.00 0.00 H new ATOM 0 HG CYS A 733 9.459 3.699 5.124 1.00 0.00 H new ATOM 188 N GLU A 734 9.890 7.530 5.261 1.00 0.00 N ATOM 189 CA GLU A 734 11.254 8.044 5.284 1.00 0.00 C ATOM 190 C GLU A 734 12.225 6.985 5.798 1.00 0.00 C ATOM 191 O GLU A 734 13.113 7.279 6.600 1.00 0.00 O ATOM 192 CB GLU A 734 11.335 9.297 6.159 1.00 0.00 C ATOM 193 CG GLU A 734 10.538 10.472 5.615 1.00 0.00 C ATOM 194 CD GLU A 734 10.103 11.434 6.702 1.00 0.00 C ATOM 195 OE1 GLU A 734 10.776 11.485 7.754 1.00 0.00 O ATOM 196 OE2 GLU A 734 9.091 12.138 6.503 1.00 0.00 O ATOM 0 H GLU A 734 9.553 7.187 6.161 1.00 0.00 H new ATOM 0 HA GLU A 734 11.536 8.304 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.974 9.056 7.159 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.379 9.593 6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 734 11.141 11.007 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.658 10.098 5.092 1.00 0.00 H new ATOM 203 N LEU A 735 12.050 5.752 5.334 1.00 0.00 N ATOM 204 CA LEU A 735 12.911 4.649 5.749 1.00 0.00 C ATOM 205 C LEU A 735 13.845 4.229 4.618 1.00 0.00 C ATOM 206 O LEU A 735 13.439 4.149 3.459 1.00 0.00 O ATOM 207 CB LEU A 735 12.067 3.453 6.194 1.00 0.00 C ATOM 208 CG LEU A 735 12.699 2.583 7.281 1.00 0.00 C ATOM 209 CD1 LEU A 735 11.642 1.723 7.957 1.00 0.00 C ATOM 210 CD2 LEU A 735 13.800 1.714 6.694 1.00 0.00 C ATOM 0 H LEU A 735 11.320 5.491 4.671 1.00 0.00 H new ATOM 0 HA LEU A 735 13.516 4.993 6.588 1.00 0.00 H new ATOM 0 HB2 LEU A 735 11.107 3.820 6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.862 2.829 5.324 1.00 0.00 H new ATOM 0 HG LEU A 735 13.141 3.237 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.110 1.110 8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 735 10.887 2.365 8.412 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.171 1.077 7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 735 14.239 1.101 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 735 13.381 1.068 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 735 14.570 2.349 6.257 1.00 0.00 H new ATOM 222 N MET A 736 15.098 3.955 4.967 1.00 0.00 N ATOM 223 CA MET A 736 16.091 3.534 3.984 1.00 0.00 C ATOM 224 C MET A 736 16.324 2.030 4.071 1.00 0.00 C ATOM 225 O MET A 736 16.507 1.484 5.158 1.00 0.00 O ATOM 226 CB MET A 736 17.407 4.283 4.203 1.00 0.00 C ATOM 227 CG MET A 736 17.255 5.795 4.193 1.00 0.00 C ATOM 228 SD MET A 736 18.716 6.636 3.554 1.00 0.00 S ATOM 229 CE MET A 736 18.691 6.107 1.844 1.00 0.00 C ATOM 0 H MET A 736 15.450 4.017 5.922 1.00 0.00 H new ATOM 0 HA MET A 736 15.713 3.771 2.990 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.836 3.976 5.157 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.115 3.992 3.427 1.00 0.00 H new ATOM 0 HG2 MET A 736 16.391 6.065 3.586 1.00 0.00 H new ATOM 0 HG3 MET A 736 17.055 6.143 5.206 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.698 5.826 1.535 1.00 0.00 H new ATOM 0 HE2 MET A 736 18.027 5.249 1.738 1.00 0.00 H new ATOM 0 HE3 MET A 736 18.333 6.923 1.216 1.00 0.00 H new ATOM 239 N PHE A 737 16.312 1.364 2.921 1.00 0.00 N ATOM 240 CA PHE A 737 16.518 -0.080 2.877 1.00 0.00 C ATOM 241 C PHE A 737 17.888 -0.425 2.297 1.00 0.00 C ATOM 242 O PHE A 737 18.387 0.265 1.407 1.00 0.00 O ATOM 243 CB PHE A 737 15.412 -0.746 2.054 1.00 0.00 C ATOM 244 CG PHE A 737 14.052 -0.652 2.691 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.899 -0.817 4.059 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.928 -0.398 1.921 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.651 -0.731 4.646 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.677 -0.312 2.503 1.00 0.00 C ATOM 249 CZ PHE A 737 11.540 -0.478 3.867 1.00 0.00 C ATOM 0 H PHE A 737 16.163 1.798 2.010 1.00 0.00 H new ATOM 0 HA PHE A 737 16.479 -0.458 3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.375 -0.284 1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.663 -1.796 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.765 -1.015 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.031 -0.266 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.545 -0.862 5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.808 -0.115 1.892 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.564 -0.410 4.324 1.00 0.00 H new ATOM 259 N PRO A 738 18.517 -1.503 2.799 1.00 0.00 N ATOM 260 CA PRO A 738 19.839 -1.941 2.332 1.00 0.00 C ATOM 261 C PRO A 738 19.819 -2.408 0.879 1.00 0.00 C ATOM 262 O PRO A 738 18.778 -2.812 0.361 1.00 0.00 O ATOM 263 CB PRO A 738 20.183 -3.109 3.262 1.00 0.00 C ATOM 264 CG PRO A 738 18.870 -3.593 3.771 1.00 0.00 C ATOM 265 CD PRO A 738 17.993 -2.379 3.862 1.00 0.00 C ATOM 0 HA PRO A 738 20.565 -1.129 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.714 -3.897 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.829 -2.787 4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.440 -4.336 3.099 1.00 0.00 H new ATOM 0 HG3 PRO A 738 18.980 -4.070 4.745 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.944 -2.627 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.060 -1.907 4.842 1.00 0.00 H new ATOM 273 N PRO A 739 20.979 -2.362 0.200 1.00 0.00 N ATOM 274 CA PRO A 739 21.095 -2.785 -1.200 1.00 0.00 C ATOM 275 C PRO A 739 20.741 -4.257 -1.388 1.00 0.00 C ATOM 276 O PRO A 739 20.337 -4.673 -2.473 1.00 0.00 O ATOM 277 CB PRO A 739 22.571 -2.542 -1.536 1.00 0.00 C ATOM 278 CG PRO A 739 23.265 -2.479 -0.218 1.00 0.00 C ATOM 279 CD PRO A 739 22.267 -1.900 0.743 1.00 0.00 C ATOM 0 HA PRO A 739 20.408 -2.238 -1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 739 22.972 -3.345 -2.154 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.701 -1.615 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.587 -3.470 0.102 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.158 -1.857 -0.276 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.429 -2.260 1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.324 -0.812 0.777 1.00 0.00 H new ATOM 287 N ASN A 740 20.892 -5.038 -0.323 1.00 0.00 N ATOM 288 CA ASN A 740 20.585 -6.464 -0.371 1.00 0.00 C ATOM 289 C ASN A 740 19.138 -6.732 0.040 1.00 0.00 C ATOM 290 O ASN A 740 18.758 -7.874 0.293 1.00 0.00 O ATOM 291 CB ASN A 740 21.537 -7.241 0.540 1.00 0.00 C ATOM 292 CG ASN A 740 21.492 -8.735 0.282 1.00 0.00 C ATOM 293 OD1 ASN A 740 22.082 -9.228 -0.679 1.00 0.00 O ATOM 294 ND2 ASN A 740 20.790 -9.463 1.143 1.00 0.00 N ATOM 0 H ASN A 740 21.225 -4.708 0.583 1.00 0.00 H new ATOM 0 HA ASN A 740 20.716 -6.801 -1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.554 -6.880 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.279 -7.047 1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 740 20.724 -10.474 1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 740 20.317 -9.011 1.926 1.00 0.00 H new ATOM 301 N TYR A 741 18.333 -5.673 0.104 1.00 0.00 N ATOM 302 CA TYR A 741 16.931 -5.800 0.483 1.00 0.00 C ATOM 303 C TYR A 741 16.114 -6.402 -0.656 1.00 0.00 C ATOM 304 O TYR A 741 16.241 -5.991 -1.809 1.00 0.00 O ATOM 305 CB TYR A 741 16.363 -4.432 0.866 1.00 0.00 C ATOM 306 CG TYR A 741 15.008 -4.498 1.533 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.841 -4.537 0.778 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.894 -4.520 2.917 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.601 -4.594 1.384 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.656 -4.578 3.531 1.00 0.00 C ATOM 311 CZ TYR A 741 12.514 -4.616 2.760 1.00 0.00 C ATOM 312 OH TYR A 741 11.281 -4.674 3.367 1.00 0.00 O ATOM 0 H TYR A 741 18.629 -4.719 -0.102 1.00 0.00 H new ATOM 0 HA TYR A 741 16.869 -6.467 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.063 -3.933 1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.286 -3.817 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 741 13.905 -4.522 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.787 -4.491 3.524 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.704 -4.621 0.783 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.584 -4.593 4.609 1.00 0.00 H new ATOM 0 HH TYR A 741 11.396 -4.684 4.340 1.00 0.00 H new ATOM 322 N ASP A 742 15.277 -7.380 -0.325 1.00 0.00 N ATOM 323 CA ASP A 742 14.440 -8.038 -1.322 1.00 0.00 C ATOM 324 C ASP A 742 13.384 -7.080 -1.861 1.00 0.00 C ATOM 325 O ASP A 742 12.625 -6.483 -1.097 1.00 0.00 O ATOM 326 CB ASP A 742 13.770 -9.275 -0.718 1.00 0.00 C ATOM 327 CG ASP A 742 13.860 -10.483 -1.629 1.00 0.00 C ATOM 328 OD1 ASP A 742 14.968 -10.766 -2.131 1.00 0.00 O ATOM 329 OD2 ASP A 742 12.823 -11.147 -1.840 1.00 0.00 O ATOM 0 H ASP A 742 15.160 -7.734 0.624 1.00 0.00 H new ATOM 0 HA ASP A 742 15.077 -8.349 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.239 -9.508 0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 742 12.722 -9.054 -0.514 1.00 0.00 H new ATOM 334 N GLN A 743 13.341 -6.936 -3.181 1.00 0.00 N ATOM 335 CA GLN A 743 12.378 -6.048 -3.823 1.00 0.00 C ATOM 336 C GLN A 743 10.951 -6.441 -3.462 1.00 0.00 C ATOM 337 O GLN A 743 10.106 -5.582 -3.206 1.00 0.00 O ATOM 338 CB GLN A 743 12.560 -6.075 -5.339 1.00 0.00 C ATOM 339 CG GLN A 743 12.197 -4.764 -6.019 1.00 0.00 C ATOM 340 CD GLN A 743 11.017 -4.900 -6.961 1.00 0.00 C ATOM 341 OE1 GLN A 743 10.845 -5.930 -7.613 1.00 0.00 O ATOM 342 NE2 GLN A 743 10.197 -3.859 -7.037 1.00 0.00 N ATOM 0 H GLN A 743 13.962 -7.423 -3.828 1.00 0.00 H new ATOM 0 HA GLN A 743 12.558 -5.036 -3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.598 -6.318 -5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 743 11.946 -6.873 -5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 743 11.966 -4.017 -5.259 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.060 -4.397 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 743 10.378 -3.025 -6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.386 -3.893 -7.654 1.00 0.00 H new ATOM 351 N SER A 744 10.690 -7.743 -3.436 1.00 0.00 N ATOM 352 CA SER A 744 9.363 -8.248 -3.095 1.00 0.00 C ATOM 353 C SER A 744 8.916 -7.690 -1.750 1.00 0.00 C ATOM 354 O SER A 744 7.778 -7.241 -1.594 1.00 0.00 O ATOM 355 CB SER A 744 9.368 -9.777 -3.054 1.00 0.00 C ATOM 356 OG SER A 744 10.665 -10.276 -2.778 1.00 0.00 O ATOM 0 H SER A 744 11.377 -8.467 -3.646 1.00 0.00 H new ATOM 0 HA SER A 744 8.661 -7.922 -3.862 1.00 0.00 H new ATOM 0 HB2 SER A 744 8.671 -10.126 -2.292 1.00 0.00 H new ATOM 0 HB3 SER A 744 9.019 -10.171 -4.009 1.00 0.00 H new ATOM 0 HG SER A 744 10.771 -10.395 -1.811 1.00 0.00 H new ATOM 362 N LYS A 745 9.831 -7.700 -0.787 1.00 0.00 N ATOM 363 CA LYS A 745 9.544 -7.175 0.538 1.00 0.00 C ATOM 364 C LYS A 745 9.281 -5.681 0.443 1.00 0.00 C ATOM 365 O LYS A 745 8.443 -5.134 1.160 1.00 0.00 O ATOM 366 CB LYS A 745 10.711 -7.448 1.489 1.00 0.00 C ATOM 367 CG LYS A 745 10.677 -8.834 2.112 1.00 0.00 C ATOM 368 CD LYS A 745 12.076 -9.337 2.428 1.00 0.00 C ATOM 369 CE LYS A 745 12.095 -10.160 3.707 1.00 0.00 C ATOM 370 NZ LYS A 745 13.324 -9.911 4.510 1.00 0.00 N ATOM 0 H LYS A 745 10.776 -8.066 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 745 8.659 -7.673 0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.648 -7.326 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.704 -6.702 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.083 -8.809 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 745 10.185 -9.528 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.442 -9.942 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 745 12.755 -8.490 2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 745 11.216 -9.921 4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 745 12.033 -11.219 3.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 13.298 -10.491 5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 14.162 -10.163 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 13.371 -8.905 4.770 1.00 0.00 H new ATOM 384 N PHE A 746 10.004 -5.030 -0.463 1.00 0.00 N ATOM 385 CA PHE A 746 9.855 -3.602 -0.677 1.00 0.00 C ATOM 386 C PHE A 746 8.481 -3.307 -1.259 1.00 0.00 C ATOM 387 O PHE A 746 7.820 -2.351 -0.861 1.00 0.00 O ATOM 388 CB PHE A 746 10.948 -3.086 -1.613 1.00 0.00 C ATOM 389 CG PHE A 746 10.920 -1.595 -1.800 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.049 -0.747 -0.712 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.763 -1.043 -3.062 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.022 0.625 -0.879 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.736 0.328 -3.234 1.00 0.00 C ATOM 394 CZ PHE A 746 10.866 1.163 -2.142 1.00 0.00 C ATOM 0 H PHE A 746 10.701 -5.474 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 746 9.952 -3.091 0.281 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.921 -3.377 -1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.841 -3.568 -2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.172 -1.162 0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.661 -1.691 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.123 1.276 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.613 0.746 -4.222 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.846 2.235 -2.275 1.00 0.00 H new ATOM 404 N GLU A 747 8.049 -4.149 -2.192 1.00 0.00 N ATOM 405 CA GLU A 747 6.741 -3.990 -2.810 1.00 0.00 C ATOM 406 C GLU A 747 5.655 -4.105 -1.750 1.00 0.00 C ATOM 407 O GLU A 747 4.665 -3.375 -1.771 1.00 0.00 O ATOM 408 CB GLU A 747 6.531 -5.044 -3.901 1.00 0.00 C ATOM 409 CG GLU A 747 6.690 -4.500 -5.312 1.00 0.00 C ATOM 410 CD GLU A 747 5.359 -4.257 -5.997 1.00 0.00 C ATOM 411 OE1 GLU A 747 4.602 -5.232 -6.183 1.00 0.00 O ATOM 412 OE2 GLU A 747 5.075 -3.092 -6.346 1.00 0.00 O ATOM 0 H GLU A 747 8.585 -4.946 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 747 6.687 -3.004 -3.272 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.242 -5.856 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.533 -5.470 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 747 7.252 -3.567 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.276 -5.202 -5.904 1.00 0.00 H new ATOM 419 N GLU A 748 5.862 -5.027 -0.815 1.00 0.00 N ATOM 420 CA GLU A 748 4.917 -5.246 0.272 1.00 0.00 C ATOM 421 C GLU A 748 4.929 -4.067 1.239 1.00 0.00 C ATOM 422 O GLU A 748 3.880 -3.624 1.706 1.00 0.00 O ATOM 423 CB GLU A 748 5.257 -6.537 1.016 1.00 0.00 C ATOM 424 CG GLU A 748 4.118 -7.543 1.041 1.00 0.00 C ATOM 425 CD GLU A 748 3.011 -7.148 1.999 1.00 0.00 C ATOM 426 OE1 GLU A 748 2.085 -6.428 1.570 1.00 0.00 O ATOM 427 OE2 GLU A 748 3.070 -7.557 3.177 1.00 0.00 O ATOM 0 H GLU A 748 6.680 -5.636 -0.789 1.00 0.00 H new ATOM 0 HA GLU A 748 3.918 -5.336 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.127 -6.998 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.538 -6.293 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.706 -7.644 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 748 4.508 -8.520 1.325 1.00 0.00 H new ATOM 434 N HIS A 749 6.123 -3.563 1.525 1.00 0.00 N ATOM 435 CA HIS A 749 6.277 -2.429 2.429 1.00 0.00 C ATOM 436 C HIS A 749 5.629 -1.193 1.822 1.00 0.00 C ATOM 437 O HIS A 749 4.841 -0.505 2.472 1.00 0.00 O ATOM 438 CB HIS A 749 7.766 -2.189 2.715 1.00 0.00 C ATOM 439 CG HIS A 749 8.119 -0.768 3.037 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.234 -0.277 4.317 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.398 0.271 2.211 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.573 1.016 4.231 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.686 1.396 2.974 1.00 0.00 N ATOM 0 H HIS A 749 6.999 -3.921 1.144 1.00 0.00 H new ATOM 0 HA HIS A 749 5.779 -2.646 3.374 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.069 -2.823 3.549 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.345 -2.506 1.847 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.087 -0.804 5.178 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.397 0.230 1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.733 1.663 5.081 1.00 0.00 H new ATOM 451 N VAL A 750 5.953 -0.933 0.565 1.00 0.00 N ATOM 452 CA VAL A 750 5.391 0.203 -0.148 1.00 0.00 C ATOM 453 C VAL A 750 3.870 0.094 -0.189 1.00 0.00 C ATOM 454 O VAL A 750 3.158 1.030 0.173 1.00 0.00 O ATOM 455 CB VAL A 750 5.935 0.280 -1.587 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.310 1.442 -2.347 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.452 0.394 -1.579 1.00 0.00 C ATOM 0 H VAL A 750 6.604 -1.495 0.017 1.00 0.00 H new ATOM 0 HA VAL A 750 5.682 1.109 0.384 1.00 0.00 H new ATOM 0 HB VAL A 750 5.662 -0.641 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.712 1.473 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.229 1.309 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.541 2.377 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.818 0.447 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.746 1.295 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.880 -0.479 -1.086 1.00 0.00 H new ATOM 467 N GLU A 751 3.382 -1.066 -0.618 1.00 0.00 N ATOM 468 CA GLU A 751 1.948 -1.312 -0.694 1.00 0.00 C ATOM 469 C GLU A 751 1.326 -1.274 0.698 1.00 0.00 C ATOM 470 O GLU A 751 0.141 -0.981 0.851 1.00 0.00 O ATOM 471 CB GLU A 751 1.674 -2.665 -1.351 1.00 0.00 C ATOM 472 CG GLU A 751 2.185 -2.763 -2.779 1.00 0.00 C ATOM 473 CD GLU A 751 2.467 -4.193 -3.199 1.00 0.00 C ATOM 474 OE1 GLU A 751 2.653 -5.048 -2.309 1.00 0.00 O ATOM 475 OE2 GLU A 751 2.501 -4.457 -4.420 1.00 0.00 O ATOM 0 H GLU A 751 3.960 -1.851 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 751 1.497 -0.527 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.138 -3.450 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.600 -2.852 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.449 -2.328 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 751 3.096 -2.173 -2.877 1.00 0.00 H new ATOM 482 N SER A 752 2.132 -1.567 1.716 1.00 0.00 N ATOM 483 CA SER A 752 1.653 -1.554 3.093 1.00 0.00 C ATOM 484 C SER A 752 1.056 -0.193 3.426 1.00 0.00 C ATOM 485 O SER A 752 0.035 -0.097 4.107 1.00 0.00 O ATOM 486 CB SER A 752 2.794 -1.877 4.060 1.00 0.00 C ATOM 487 OG SER A 752 2.297 -2.210 5.344 1.00 0.00 O ATOM 0 H SER A 752 3.116 -1.815 1.613 1.00 0.00 H new ATOM 0 HA SER A 752 0.881 -2.316 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.383 -2.707 3.668 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.463 -1.020 4.137 1.00 0.00 H new ATOM 0 HG SER A 752 3.046 -2.413 5.942 1.00 0.00 H new ATOM 493 N HIS A 753 1.700 0.857 2.927 1.00 0.00 N ATOM 494 CA HIS A 753 1.232 2.220 3.154 1.00 0.00 C ATOM 495 C HIS A 753 -0.041 2.497 2.359 1.00 0.00 C ATOM 496 O HIS A 753 -0.828 3.375 2.714 1.00 0.00 O ATOM 497 CB HIS A 753 2.310 3.230 2.754 1.00 0.00 C ATOM 498 CG HIS A 753 3.644 2.972 3.379 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.992 3.389 4.644 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.733 2.332 2.881 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.254 3.001 4.872 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.749 2.354 3.835 1.00 0.00 N ATOM 0 H HIS A 753 2.547 0.790 2.363 1.00 0.00 H new ATOM 0 HA HIS A 753 1.015 2.325 4.217 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.420 3.219 1.670 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.977 4.230 3.031 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.395 3.902 5.293 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.801 1.879 1.903 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.796 3.193 5.786 1.00 0.00 H new ATOM 510 N TRP A 754 -0.232 1.748 1.278 1.00 0.00 N ATOM 511 CA TRP A 754 -1.402 1.915 0.424 1.00 0.00 C ATOM 512 C TRP A 754 -2.668 1.423 1.116 1.00 0.00 C ATOM 513 O TRP A 754 -2.610 0.624 2.050 1.00 0.00 O ATOM 514 CB TRP A 754 -1.214 1.155 -0.890 1.00 0.00 C ATOM 515 CG TRP A 754 -0.298 1.843 -1.852 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.765 2.638 -1.547 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.367 1.791 -3.279 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.359 3.093 -2.700 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.682 2.585 -3.777 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.216 1.152 -4.185 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.905 2.755 -5.141 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.994 1.320 -5.537 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.058 2.116 -6.005 1.00 0.00 C ATOM 0 H TRP A 754 0.411 1.017 0.972 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.510 2.980 0.218 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.820 0.162 -0.673 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.186 1.016 -1.363 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.093 2.876 -0.546 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.171 3.708 -2.746 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.032 0.537 -3.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.717 3.369 -5.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.643 0.829 -6.246 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.204 2.228 -7.069 1.00 0.00 H new ATOM 534 N LYS A 755 -3.812 1.894 0.632 1.00 0.00 N ATOM 535 CA LYS A 755 -5.100 1.491 1.183 1.00 0.00 C ATOM 536 C LYS A 755 -5.592 0.240 0.473 1.00 0.00 C ATOM 537 O LYS A 755 -5.854 0.266 -0.725 1.00 0.00 O ATOM 538 CB LYS A 755 -6.119 2.622 1.026 1.00 0.00 C ATOM 539 CG LYS A 755 -6.085 3.634 2.160 1.00 0.00 C ATOM 540 CD LYS A 755 -6.134 5.060 1.635 1.00 0.00 C ATOM 541 CE LYS A 755 -6.652 6.024 2.691 1.00 0.00 C ATOM 542 NZ LYS A 755 -6.880 7.387 2.135 1.00 0.00 N ATOM 0 H LYS A 755 -3.873 2.556 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 755 -4.981 1.275 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.934 3.138 0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.119 2.193 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.929 3.462 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.178 3.493 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.137 5.367 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.776 5.103 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.584 5.641 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -5.937 6.082 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -7.101 8.045 2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -6.023 7.709 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -7.675 7.360 1.465 1.00 0.00 H new ATOM 556 N VAL A 756 -5.697 -0.863 1.204 1.00 0.00 N ATOM 557 CA VAL A 756 -6.136 -2.119 0.610 1.00 0.00 C ATOM 558 C VAL A 756 -7.392 -2.666 1.273 1.00 0.00 C ATOM 559 O VAL A 756 -7.504 -2.703 2.498 1.00 0.00 O ATOM 560 CB VAL A 756 -5.028 -3.186 0.681 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.463 -4.471 -0.012 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.748 -2.650 0.066 1.00 0.00 C ATOM 0 H VAL A 756 -5.486 -0.914 2.201 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.365 -1.896 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.841 -3.420 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.663 -5.208 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.357 -4.862 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.682 -4.263 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -2.971 -3.412 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.927 -2.389 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.426 -1.763 0.612 1.00 0.00 H new ATOM 572 N CYS A 757 -8.326 -3.104 0.440 1.00 0.00 N ATOM 573 CA CYS A 757 -9.579 -3.676 0.912 1.00 0.00 C ATOM 574 C CYS A 757 -9.371 -5.138 1.314 1.00 0.00 C ATOM 575 O CYS A 757 -8.788 -5.916 0.558 1.00 0.00 O ATOM 576 CB CYS A 757 -10.646 -3.568 -0.178 1.00 0.00 C ATOM 577 SG CYS A 757 -12.283 -4.153 0.323 1.00 0.00 S ATOM 0 H CYS A 757 -8.238 -3.073 -0.576 1.00 0.00 H new ATOM 0 HA CYS A 757 -9.916 -3.120 1.787 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.725 -2.527 -0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.320 -4.138 -1.048 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.560 -5.258 -0.304 1.00 0.00 H new ATOM 582 N PRO A 758 -9.825 -5.531 2.517 1.00 0.00 N ATOM 583 CA PRO A 758 -9.662 -6.896 3.014 1.00 0.00 C ATOM 584 C PRO A 758 -10.776 -7.844 2.574 1.00 0.00 C ATOM 585 O PRO A 758 -10.704 -9.048 2.817 1.00 0.00 O ATOM 586 CB PRO A 758 -9.704 -6.698 4.526 1.00 0.00 C ATOM 587 CG PRO A 758 -10.634 -5.548 4.727 1.00 0.00 C ATOM 588 CD PRO A 758 -10.514 -4.673 3.501 1.00 0.00 C ATOM 0 HA PRO A 758 -8.752 -7.360 2.634 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.064 -7.593 5.034 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.713 -6.482 4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.659 -5.897 4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.372 -4.991 5.627 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.492 -4.356 3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -9.944 -3.768 3.711 1.00 0.00 H new ATOM 596 N MET A 759 -11.810 -7.303 1.938 1.00 0.00 N ATOM 597 CA MET A 759 -12.930 -8.121 1.485 1.00 0.00 C ATOM 598 C MET A 759 -12.673 -8.705 0.099 1.00 0.00 C ATOM 599 O MET A 759 -13.208 -9.758 -0.247 1.00 0.00 O ATOM 600 CB MET A 759 -14.212 -7.291 1.474 1.00 0.00 C ATOM 601 CG MET A 759 -14.578 -6.730 2.839 1.00 0.00 C ATOM 602 SD MET A 759 -15.903 -7.655 3.639 1.00 0.00 S ATOM 603 CE MET A 759 -15.545 -7.327 5.363 1.00 0.00 C ATOM 0 H MET A 759 -11.896 -6.309 1.726 1.00 0.00 H new ATOM 0 HA MET A 759 -13.041 -8.952 2.182 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.097 -6.467 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.033 -7.909 1.111 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.696 -6.739 3.479 1.00 0.00 H new ATOM 0 HG3 MET A 759 -14.882 -5.689 2.730 1.00 0.00 H new ATOM 0 HE1 MET A 759 -15.268 -8.257 5.860 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.720 -6.618 5.435 1.00 0.00 H new ATOM 0 HE3 MET A 759 -16.428 -6.907 5.844 1.00 0.00 H new ATOM 613 N CYS A 760 -11.853 -8.022 -0.691 1.00 0.00 N ATOM 614 CA CYS A 760 -11.532 -8.486 -2.039 1.00 0.00 C ATOM 615 C CYS A 760 -10.025 -8.474 -2.300 1.00 0.00 C ATOM 616 O CYS A 760 -9.541 -9.164 -3.198 1.00 0.00 O ATOM 617 CB CYS A 760 -12.250 -7.627 -3.079 1.00 0.00 C ATOM 618 SG CYS A 760 -11.625 -5.936 -3.191 1.00 0.00 S ATOM 0 H CYS A 760 -11.399 -7.148 -0.425 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.876 -9.517 -2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.158 -8.103 -4.055 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.313 -7.596 -2.839 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.471 -5.123 -2.631 1.00 0.00 H new ATOM 623 N SER A 761 -9.286 -7.688 -1.512 1.00 0.00 N ATOM 624 CA SER A 761 -7.833 -7.583 -1.652 1.00 0.00 C ATOM 625 C SER A 761 -7.447 -6.596 -2.751 1.00 0.00 C ATOM 626 O SER A 761 -6.462 -6.799 -3.462 1.00 0.00 O ATOM 627 CB SER A 761 -7.207 -8.954 -1.935 1.00 0.00 C ATOM 628 OG SER A 761 -6.071 -9.176 -1.119 1.00 0.00 O ATOM 0 H SER A 761 -9.675 -7.112 -0.766 1.00 0.00 H new ATOM 0 HA SER A 761 -7.444 -7.209 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 761 -7.944 -9.737 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 761 -6.922 -9.017 -2.985 1.00 0.00 H new ATOM 0 HG SER A 761 -5.692 -10.058 -1.318 1.00 0.00 H new ATOM 634 N GLU A 762 -8.217 -5.518 -2.876 1.00 0.00 N ATOM 635 CA GLU A 762 -7.940 -4.493 -3.879 1.00 0.00 C ATOM 636 C GLU A 762 -6.930 -3.493 -3.343 1.00 0.00 C ATOM 637 O GLU A 762 -6.932 -3.181 -2.153 1.00 0.00 O ATOM 638 CB GLU A 762 -9.228 -3.765 -4.275 1.00 0.00 C ATOM 639 CG GLU A 762 -9.807 -4.230 -5.602 1.00 0.00 C ATOM 640 CD GLU A 762 -10.103 -3.081 -6.545 1.00 0.00 C ATOM 641 OE1 GLU A 762 -11.230 -2.544 -6.493 1.00 0.00 O ATOM 642 OE2 GLU A 762 -9.208 -2.716 -7.336 1.00 0.00 O ATOM 0 H GLU A 762 -9.036 -5.332 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.527 -4.981 -4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.973 -3.910 -3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.028 -2.695 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.107 -4.915 -6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.724 -4.789 -5.418 1.00 0.00 H new ATOM 649 N GLN A 763 -6.071 -2.983 -4.219 1.00 0.00 N ATOM 650 CA GLN A 763 -5.075 -2.013 -3.795 1.00 0.00 C ATOM 651 C GLN A 763 -5.449 -0.615 -4.268 1.00 0.00 C ATOM 652 O GLN A 763 -5.766 -0.400 -5.437 1.00 0.00 O ATOM 653 CB GLN A 763 -3.697 -2.397 -4.341 1.00 0.00 C ATOM 654 CG GLN A 763 -2.790 -3.043 -3.307 1.00 0.00 C ATOM 655 CD GLN A 763 -1.341 -2.620 -3.455 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.525 -3.346 -4.022 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.015 -1.439 -2.943 1.00 0.00 N ATOM 0 H GLN A 763 -6.045 -3.222 -5.210 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.040 -2.013 -2.706 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.826 -3.083 -5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.209 -1.504 -4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.140 -2.782 -2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.859 -4.127 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.724 -0.870 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.055 -1.101 -3.011 1.00 0.00 H new ATOM 666 N PHE A 764 -5.396 0.329 -3.341 1.00 0.00 N ATOM 667 CA PHE A 764 -5.711 1.721 -3.630 1.00 0.00 C ATOM 668 C PHE A 764 -4.502 2.617 -3.362 1.00 0.00 C ATOM 669 O PHE A 764 -4.014 2.676 -2.232 1.00 0.00 O ATOM 670 CB PHE A 764 -6.904 2.182 -2.791 1.00 0.00 C ATOM 671 CG PHE A 764 -8.162 1.403 -3.055 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.401 0.203 -2.404 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.105 1.871 -3.956 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.554 -0.515 -2.645 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.263 1.156 -4.201 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.487 -0.038 -3.545 1.00 0.00 C ATOM 0 H PHE A 764 -5.135 0.154 -2.371 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.971 1.799 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.649 2.097 -1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.091 3.237 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.675 -0.175 -1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.934 2.804 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.727 -1.449 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.991 1.531 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.390 -0.598 -3.735 1.00 0.00 H new ATOM 686 N PRO A 765 -4.001 3.332 -4.384 1.00 0.00 N ATOM 687 CA PRO A 765 -2.848 4.221 -4.219 1.00 0.00 C ATOM 688 C PRO A 765 -3.103 5.294 -3.164 1.00 0.00 C ATOM 689 O PRO A 765 -4.252 5.607 -2.850 1.00 0.00 O ATOM 690 CB PRO A 765 -2.680 4.861 -5.600 1.00 0.00 C ATOM 691 CG PRO A 765 -3.357 3.924 -6.538 1.00 0.00 C ATOM 692 CD PRO A 765 -4.504 3.336 -5.768 1.00 0.00 C ATOM 0 HA PRO A 765 -1.963 3.682 -3.880 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.133 5.852 -5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.627 4.983 -5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.709 4.447 -7.427 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.673 3.146 -6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.408 3.937 -5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.749 2.331 -6.112 1.00 0.00 H new ATOM 700 N PRO A 766 -2.032 5.868 -2.595 1.00 0.00 N ATOM 701 CA PRO A 766 -2.144 6.907 -1.565 1.00 0.00 C ATOM 702 C PRO A 766 -2.849 8.160 -2.076 1.00 0.00 C ATOM 703 O PRO A 766 -3.372 8.951 -1.293 1.00 0.00 O ATOM 704 CB PRO A 766 -0.688 7.220 -1.202 1.00 0.00 C ATOM 705 CG PRO A 766 0.115 6.733 -2.358 1.00 0.00 C ATOM 706 CD PRO A 766 -0.630 5.552 -2.908 1.00 0.00 C ATOM 0 HA PRO A 766 -2.742 6.571 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.542 8.289 -1.044 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.395 6.718 -0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.225 7.512 -3.113 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.120 6.449 -2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.472 5.439 -3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.312 4.621 -2.439 1.00 0.00 H new ATOM 714 N ASP A 767 -2.863 8.331 -3.395 1.00 0.00 N ATOM 715 CA ASP A 767 -3.512 9.486 -4.005 1.00 0.00 C ATOM 716 C ASP A 767 -5.018 9.264 -4.131 1.00 0.00 C ATOM 717 O ASP A 767 -5.769 10.198 -4.413 1.00 0.00 O ATOM 718 CB ASP A 767 -2.910 9.764 -5.384 1.00 0.00 C ATOM 719 CG ASP A 767 -1.451 10.167 -5.307 1.00 0.00 C ATOM 720 OD1 ASP A 767 -1.121 11.053 -4.490 1.00 0.00 O ATOM 721 OD2 ASP A 767 -0.636 9.600 -6.066 1.00 0.00 O ATOM 0 H ASP A 767 -2.434 7.687 -4.059 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.344 10.348 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -3.006 8.874 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.478 10.556 -5.872 1.00 0.00 H new ATOM 726 N TYR A 768 -5.453 8.025 -3.919 1.00 0.00 N ATOM 727 CA TYR A 768 -6.866 7.684 -4.006 1.00 0.00 C ATOM 728 C TYR A 768 -7.652 8.321 -2.865 1.00 0.00 C ATOM 729 O TYR A 768 -7.155 8.434 -1.745 1.00 0.00 O ATOM 730 CB TYR A 768 -7.047 6.165 -3.976 1.00 0.00 C ATOM 731 CG TYR A 768 -8.113 5.661 -4.921 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.877 5.583 -6.288 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.357 5.265 -4.446 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.851 5.124 -7.155 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.335 4.804 -5.306 1.00 0.00 C ATOM 736 CZ TYR A 768 -10.077 4.736 -6.659 1.00 0.00 C ATOM 737 OH TYR A 768 -11.049 4.277 -7.519 1.00 0.00 O ATOM 0 H TYR A 768 -4.844 7.241 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 768 -7.250 8.073 -4.949 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -6.098 5.690 -4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.299 5.858 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.917 5.886 -6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.563 5.318 -3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.652 5.070 -8.215 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.297 4.498 -4.921 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.853 4.044 -7.009 1.00 0.00 H new ATOM 747 N ASP A 769 -8.882 8.730 -3.157 1.00 0.00 N ATOM 748 CA ASP A 769 -9.736 9.350 -2.151 1.00 0.00 C ATOM 749 C ASP A 769 -10.294 8.297 -1.198 1.00 0.00 C ATOM 750 O ASP A 769 -10.884 7.307 -1.629 1.00 0.00 O ATOM 751 CB ASP A 769 -10.884 10.108 -2.821 1.00 0.00 C ATOM 752 CG ASP A 769 -10.395 11.277 -3.654 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.201 12.371 -3.086 1.00 0.00 O ATOM 754 OD2 ASP A 769 -10.206 11.097 -4.876 1.00 0.00 O ATOM 0 H ASP A 769 -9.309 8.644 -4.079 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.133 10.055 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -11.447 9.423 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.571 10.472 -2.057 1.00 0.00 H new ATOM 759 N GLN A 770 -10.100 8.516 0.099 1.00 0.00 N ATOM 760 CA GLN A 770 -10.584 7.582 1.111 1.00 0.00 C ATOM 761 C GLN A 770 -12.086 7.355 0.970 1.00 0.00 C ATOM 762 O GLN A 770 -12.592 6.280 1.291 1.00 0.00 O ATOM 763 CB GLN A 770 -10.263 8.107 2.513 1.00 0.00 C ATOM 764 CG GLN A 770 -10.739 7.191 3.629 1.00 0.00 C ATOM 765 CD GLN A 770 -9.599 6.459 4.310 1.00 0.00 C ATOM 766 OE1 GLN A 770 -8.682 7.078 4.850 1.00 0.00 O ATOM 767 NE2 GLN A 770 -9.650 5.131 4.287 1.00 0.00 N ATOM 0 H GLN A 770 -9.612 9.330 0.474 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.077 6.629 0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.185 8.245 2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.722 9.088 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.282 7.779 4.369 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.441 6.463 3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.429 4.658 3.828 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -8.910 4.585 4.728 1.00 0.00 H new ATOM 776 N GLN A 771 -12.793 8.370 0.484 1.00 0.00 N ATOM 777 CA GLN A 771 -14.236 8.272 0.298 1.00 0.00 C ATOM 778 C GLN A 771 -14.574 7.139 -0.666 1.00 0.00 C ATOM 779 O GLN A 771 -15.469 6.334 -0.405 1.00 0.00 O ATOM 780 CB GLN A 771 -14.795 9.596 -0.229 1.00 0.00 C ATOM 781 CG GLN A 771 -15.527 10.410 0.825 1.00 0.00 C ATOM 782 CD GLN A 771 -15.936 11.780 0.323 1.00 0.00 C ATOM 783 OE1 GLN A 771 -15.840 12.072 -0.868 1.00 0.00 O ATOM 784 NE2 GLN A 771 -16.396 12.631 1.233 1.00 0.00 N ATOM 0 H GLN A 771 -12.391 9.267 0.213 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.694 8.057 1.263 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -13.976 10.192 -0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.476 9.390 -1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -16.414 9.866 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -14.887 10.524 1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -16.459 12.347 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -16.686 13.568 0.954 1.00 0.00 H new ATOM 793 N VAL A 772 -13.844 7.078 -1.775 1.00 0.00 N ATOM 794 CA VAL A 772 -14.060 6.039 -2.772 1.00 0.00 C ATOM 795 C VAL A 772 -13.658 4.677 -2.224 1.00 0.00 C ATOM 796 O VAL A 772 -14.341 3.678 -2.446 1.00 0.00 O ATOM 797 CB VAL A 772 -13.267 6.318 -4.063 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.642 5.320 -5.148 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.501 7.746 -4.539 1.00 0.00 C ATOM 0 H VAL A 772 -13.099 7.736 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.124 6.039 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.205 6.202 -3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -13.071 5.534 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.416 4.310 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.707 5.401 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.932 7.923 -5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.562 7.894 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.176 8.444 -3.768 1.00 0.00 H new ATOM 809 N PHE A 773 -12.546 4.646 -1.498 1.00 0.00 N ATOM 810 CA PHE A 773 -12.057 3.407 -0.909 1.00 0.00 C ATOM 811 C PHE A 773 -13.029 2.904 0.152 1.00 0.00 C ATOM 812 O PHE A 773 -13.445 1.745 0.128 1.00 0.00 O ATOM 813 CB PHE A 773 -10.673 3.618 -0.291 1.00 0.00 C ATOM 814 CG PHE A 773 -10.206 2.453 0.537 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.251 1.163 0.030 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.733 2.649 1.824 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.829 0.091 0.794 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.311 1.580 2.590 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.360 0.301 2.076 1.00 0.00 C ATOM 0 H PHE A 773 -11.968 5.464 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.979 2.659 -1.698 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.952 3.801 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.694 4.512 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.619 0.994 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.694 3.648 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.866 -0.909 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -8.943 1.746 3.592 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.032 -0.535 2.675 1.00 0.00 H new ATOM 829 N GLU A 774 -13.385 3.783 1.084 1.00 0.00 N ATOM 830 CA GLU A 774 -14.305 3.429 2.157 1.00 0.00 C ATOM 831 C GLU A 774 -15.608 2.876 1.590 1.00 0.00 C ATOM 832 O GLU A 774 -16.135 1.879 2.080 1.00 0.00 O ATOM 833 CB GLU A 774 -14.591 4.646 3.039 1.00 0.00 C ATOM 834 CG GLU A 774 -13.623 4.795 4.201 1.00 0.00 C ATOM 835 CD GLU A 774 -13.902 6.030 5.036 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.420 7.019 4.477 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.601 6.008 6.247 1.00 0.00 O ATOM 0 H GLU A 774 -13.050 4.746 1.117 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.836 2.656 2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.551 5.546 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.606 4.571 3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.683 3.911 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -12.604 4.843 3.817 1.00 0.00 H new ATOM 844 N ARG A 775 -16.116 3.525 0.547 1.00 0.00 N ATOM 845 CA ARG A 775 -17.349 3.083 -0.089 1.00 0.00 C ATOM 846 C ARG A 775 -17.158 1.695 -0.699 1.00 0.00 C ATOM 847 O ARG A 775 -18.045 0.845 -0.629 1.00 0.00 O ATOM 848 CB ARG A 775 -17.797 4.098 -1.154 1.00 0.00 C ATOM 849 CG ARG A 775 -17.536 3.668 -2.591 1.00 0.00 C ATOM 850 CD ARG A 775 -17.791 4.805 -3.569 1.00 0.00 C ATOM 851 NE ARG A 775 -18.090 4.315 -4.911 1.00 0.00 N ATOM 852 CZ ARG A 775 -19.233 3.720 -5.248 1.00 0.00 C ATOM 853 NH1 ARG A 775 -20.185 3.538 -4.341 1.00 0.00 N ATOM 854 NH2 ARG A 775 -19.423 3.307 -6.492 1.00 0.00 N ATOM 0 H ARG A 775 -15.695 4.354 0.127 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.133 3.019 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.864 4.284 -1.033 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.286 5.044 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.505 3.327 -2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -18.176 2.822 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.623 5.412 -3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -16.916 5.454 -3.607 1.00 0.00 H new ATOM 0 HE ARG A 775 -17.381 4.435 -5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -20.043 3.854 -3.382 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -21.059 3.082 -4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -18.694 3.445 -7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -20.298 2.851 -6.750 1.00 0.00 H new ATOM 868 N HIS A 776 -15.987 1.477 -1.292 1.00 0.00 N ATOM 869 CA HIS A 776 -15.668 0.195 -1.909 1.00 0.00 C ATOM 870 C HIS A 776 -15.574 -0.902 -0.853 1.00 0.00 C ATOM 871 O HIS A 776 -16.147 -1.978 -1.012 1.00 0.00 O ATOM 872 CB HIS A 776 -14.355 0.300 -2.690 1.00 0.00 C ATOM 873 CG HIS A 776 -13.651 -1.009 -2.883 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.726 -1.759 -4.035 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.838 -1.697 -2.042 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.975 -2.853 -3.860 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.413 -2.860 -2.669 1.00 0.00 N ATOM 0 H HIS A 776 -15.244 2.173 -1.358 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.469 -0.066 -2.601 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.560 0.737 -3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.688 0.985 -2.167 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.259 -1.523 -4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.565 -1.389 -1.044 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.847 -3.629 -4.600 1.00 0.00 H new ATOM 885 N VAL A 777 -14.856 -0.627 0.230 1.00 0.00 N ATOM 886 CA VAL A 777 -14.716 -1.606 1.300 1.00 0.00 C ATOM 887 C VAL A 777 -16.067 -1.833 1.964 1.00 0.00 C ATOM 888 O VAL A 777 -16.443 -2.965 2.268 1.00 0.00 O ATOM 889 CB VAL A 777 -13.691 -1.183 2.371 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.068 -2.408 3.018 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.611 -0.290 1.784 1.00 0.00 C ATOM 0 H VAL A 777 -14.368 0.254 0.389 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.349 -2.525 0.843 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.221 -0.610 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.346 -2.094 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.848 -3.007 3.489 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.562 -3.004 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -11.905 -0.010 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.084 -0.827 0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.068 0.609 1.369 1.00 0.00 H new ATOM 901 N GLN A 778 -16.803 -0.742 2.161 1.00 0.00 N ATOM 902 CA GLN A 778 -18.129 -0.809 2.758 1.00 0.00 C ATOM 903 C GLN A 778 -19.067 -1.589 1.846 1.00 0.00 C ATOM 904 O GLN A 778 -19.988 -2.264 2.308 1.00 0.00 O ATOM 905 CB GLN A 778 -18.679 0.598 2.996 1.00 0.00 C ATOM 906 CG GLN A 778 -18.040 1.311 4.177 1.00 0.00 C ATOM 907 CD GLN A 778 -18.416 0.684 5.505 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.586 0.405 5.764 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.422 0.461 6.355 1.00 0.00 N ATOM 0 H GLN A 778 -16.500 0.200 1.914 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.056 -1.320 3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.527 1.195 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.755 0.535 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -16.956 1.294 4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.344 2.358 4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.466 0.708 6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -17.614 0.042 7.265 1.00 0.00 H new ATOM 918 N THR A 779 -18.811 -1.499 0.544 1.00 0.00 N ATOM 919 CA THR A 779 -19.611 -2.201 -0.449 1.00 0.00 C ATOM 920 C THR A 779 -19.565 -3.705 -0.195 1.00 0.00 C ATOM 921 O THR A 779 -20.488 -4.436 -0.555 1.00 0.00 O ATOM 922 CB THR A 779 -19.101 -1.870 -1.857 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.402 -0.528 -2.194 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.678 -2.750 -2.944 1.00 0.00 C ATOM 0 H THR A 779 -18.051 -0.943 0.153 1.00 0.00 H new ATOM 0 HA THR A 779 -20.648 -1.874 -0.370 1.00 0.00 H new ATOM 0 HB THR A 779 -18.026 -2.044 -1.812 1.00 0.00 H new ATOM 0 HG1 THR A 779 -18.644 0.047 -1.957 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.268 -2.452 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.420 -3.790 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.763 -2.642 -2.962 1.00 0.00 H new ATOM 932 N HIS A 780 -18.486 -4.155 0.436 1.00 0.00 N ATOM 933 CA HIS A 780 -18.312 -5.565 0.755 1.00 0.00 C ATOM 934 C HIS A 780 -18.988 -5.904 2.080 1.00 0.00 C ATOM 935 O HIS A 780 -19.436 -7.031 2.291 1.00 0.00 O ATOM 936 CB HIS A 780 -16.825 -5.908 0.832 1.00 0.00 C ATOM 937 CG HIS A 780 -16.103 -5.743 -0.468 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.198 -6.631 -1.515 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.257 -4.763 -0.884 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.425 -6.178 -2.511 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.835 -5.048 -2.179 1.00 0.00 N ATOM 0 H HIS A 780 -17.715 -3.559 0.738 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.776 -6.154 -0.036 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.353 -5.274 1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.716 -6.938 1.170 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.758 -7.483 -1.530 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.960 -3.902 -0.303 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.302 -6.675 -3.462 1.00 0.00 H new ATOM 949 N PHE A 781 -19.054 -4.918 2.970 1.00 0.00 N ATOM 950 CA PHE A 781 -19.672 -5.104 4.278 1.00 0.00 C ATOM 951 C PHE A 781 -21.188 -5.246 4.157 1.00 0.00 C ATOM 952 O PHE A 781 -21.844 -5.758 5.063 1.00 0.00 O ATOM 953 CB PHE A 781 -19.328 -3.926 5.195 1.00 0.00 C ATOM 954 CG PHE A 781 -17.855 -3.622 5.284 1.00 0.00 C ATOM 955 CD1 PHE A 781 -16.907 -4.534 4.844 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.421 -2.418 5.814 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.557 -4.249 4.929 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.073 -2.128 5.902 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.140 -3.044 5.459 1.00 0.00 C ATOM 0 H PHE A 781 -18.686 -3.980 2.808 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.278 -6.024 4.710 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -19.850 -3.038 4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.705 -4.137 6.196 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.228 -5.479 4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.145 -1.697 6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -14.830 -4.968 4.581 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.749 -1.185 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.086 -2.819 5.527 1.00 0.00 H new ATOM 969 N ASP A 782 -21.737 -4.792 3.034 1.00 0.00 N ATOM 970 CA ASP A 782 -23.176 -4.873 2.802 1.00 0.00 C ATOM 971 C ASP A 782 -23.570 -6.224 2.204 1.00 0.00 C ATOM 972 O ASP A 782 -24.732 -6.442 1.861 1.00 0.00 O ATOM 973 CB ASP A 782 -23.626 -3.743 1.873 1.00 0.00 C ATOM 974 CG ASP A 782 -23.904 -2.455 2.623 1.00 0.00 C ATOM 975 OD1 ASP A 782 -24.857 -2.432 3.429 1.00 0.00 O ATOM 976 OD2 ASP A 782 -23.168 -1.470 2.403 1.00 0.00 O ATOM 0 H ASP A 782 -21.209 -4.365 2.272 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.675 -4.770 3.766 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -22.856 -3.564 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.525 -4.051 1.340 1.00 0.00 H new