USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=18 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= -5.42! USER MOD Set 1.2: A 760 CYS SG : rot -109:sc= -1.71! USER MOD Set 1.3: A 776 HIS : no HE2:sc= -1.92 K(o=-13,f=-17) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -3.58 K(o=-13,f=-14!) USER MOD Set 2.1: A 730 CYS SG : rot 37:sc= -3.13! USER MOD Set 2.2: A 733 CYS SG : rot 20:sc= -1.62 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.42 K(o=-11,f=-18!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -1.32 K(o=-11,f=-15!) USER MOD Set 3.1: A 727 HIS : no HD1:sc= -3.49! K(o=-3.6!,f=-4.1) USER MOD Set 3.2: A 736 MET CE :methyl -135:sc= -0.116 (180deg=-0.0605) USER MOD Single : A 728 LYS NZ :NH3+ 170:sc=-0.00848 (180deg=-0.18) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 741 TYR OH : rot 180:sc= -0.923 USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 744 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 745 LYS NZ :NH3+ 154:sc= 0.274 (180deg=0.149) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 755 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 759 MET CE :methyl -157:sc= -0.657 (180deg=-2.56!) USER MOD Single : A 761 SER OG : rot 180:sc= 0 USER MOD Single : A 763 GLN : amide:sc= -4.01! C(o=-4!,f=-7.2!) USER MOD Single : A 768 TYR OH : rot 165:sc= 0 USER MOD Single : A 770 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 778 GLN : amide:sc= -3.26 K(o=-3.3,f=-1.6) USER MOD Single : A 779 THR OG1 : rot 39:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.609 2.790 -1.385 1.00 0.00 N ATOM 74 CA HIS A 727 19.574 2.491 -0.404 1.00 0.00 C ATOM 75 C HIS A 727 18.186 2.776 -0.968 1.00 0.00 C ATOM 76 O HIS A 727 17.919 3.871 -1.463 1.00 0.00 O ATOM 77 CB HIS A 727 19.797 3.308 0.870 1.00 0.00 C ATOM 78 CG HIS A 727 20.634 2.603 1.891 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.259 3.254 2.933 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.943 1.294 2.026 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.918 2.374 3.666 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.742 1.178 3.137 1.00 0.00 N ATOM 0 HA HIS A 727 19.636 1.430 -0.163 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.275 4.252 0.608 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.830 3.552 1.310 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.622 0.490 1.381 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.501 2.596 4.548 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.136 0.308 3.495 1.00 0.00 H new ATOM 91 N LYS A 728 17.305 1.784 -0.888 1.00 0.00 N ATOM 92 CA LYS A 728 15.944 1.929 -1.388 1.00 0.00 C ATOM 93 C LYS A 728 15.063 2.629 -0.359 1.00 0.00 C ATOM 94 O LYS A 728 14.787 2.085 0.711 1.00 0.00 O ATOM 95 CB LYS A 728 15.356 0.559 -1.733 1.00 0.00 C ATOM 96 CG LYS A 728 15.859 -0.003 -3.054 1.00 0.00 C ATOM 97 CD LYS A 728 15.149 -1.297 -3.414 1.00 0.00 C ATOM 98 CE LYS A 728 14.031 -1.059 -4.418 1.00 0.00 C ATOM 99 NZ LYS A 728 14.441 -1.425 -5.801 1.00 0.00 N ATOM 0 H LYS A 728 17.510 0.871 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 728 15.976 2.539 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.597 -0.142 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.270 0.638 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.704 0.731 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.932 -0.181 -2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 728 15.867 -2.004 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.739 -1.751 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 728 13.156 -1.643 -4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 728 13.737 -0.010 -4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 13.609 -1.411 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 15.145 -0.742 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 14.856 -2.379 -5.799 1.00 0.00 H new ATOM 113 N LYS A 729 14.624 3.839 -0.689 1.00 0.00 N ATOM 114 CA LYS A 729 13.776 4.614 0.208 1.00 0.00 C ATOM 115 C LYS A 729 12.339 4.658 -0.300 1.00 0.00 C ATOM 116 O LYS A 729 12.074 5.143 -1.400 1.00 0.00 O ATOM 117 CB LYS A 729 14.320 6.036 0.356 1.00 0.00 C ATOM 118 CG LYS A 729 13.647 6.835 1.460 1.00 0.00 C ATOM 119 CD LYS A 729 14.260 8.218 1.599 1.00 0.00 C ATOM 120 CE LYS A 729 13.403 9.124 2.467 1.00 0.00 C ATOM 121 NZ LYS A 729 14.145 10.338 2.906 1.00 0.00 N ATOM 0 H LYS A 729 14.841 4.304 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 729 13.782 4.126 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.390 5.987 0.556 1.00 0.00 H new ATOM 0 HB3 LYS A 729 14.196 6.563 -0.590 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.582 6.928 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 729 13.737 6.299 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 729 15.256 8.133 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 729 14.379 8.665 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 729 12.514 9.423 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 729 13.062 8.571 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 13.525 10.929 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 14.980 10.054 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 14.449 10.880 2.072 1.00 0.00 H new ATOM 135 N CYS A 730 11.414 4.152 0.509 1.00 0.00 N ATOM 136 CA CYS A 730 10.004 4.137 0.143 1.00 0.00 C ATOM 137 C CYS A 730 9.409 5.543 0.238 1.00 0.00 C ATOM 138 O CYS A 730 9.419 6.155 1.306 1.00 0.00 O ATOM 139 CB CYS A 730 9.235 3.170 1.049 1.00 0.00 C ATOM 140 SG CYS A 730 7.446 3.188 0.806 1.00 0.00 S ATOM 0 H CYS A 730 11.617 3.747 1.423 1.00 0.00 H new ATOM 0 HA CYS A 730 9.916 3.797 -0.889 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.603 2.159 0.877 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.451 3.415 2.089 1.00 0.00 H new ATOM 0 HG CYS A 730 7.181 3.347 -0.457 1.00 0.00 H new ATOM 145 N PRO A 731 8.892 6.081 -0.882 1.00 0.00 N ATOM 146 CA PRO A 731 8.309 7.429 -0.917 1.00 0.00 C ATOM 147 C PRO A 731 7.168 7.615 0.080 1.00 0.00 C ATOM 148 O PRO A 731 6.876 8.736 0.498 1.00 0.00 O ATOM 149 CB PRO A 731 7.784 7.560 -2.350 1.00 0.00 C ATOM 150 CG PRO A 731 8.572 6.574 -3.139 1.00 0.00 C ATOM 151 CD PRO A 731 8.850 5.431 -2.205 1.00 0.00 C ATOM 0 HA PRO A 731 9.046 8.184 -0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.717 7.344 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.923 8.572 -2.731 1.00 0.00 H new ATOM 0 HG2 PRO A 731 8.015 6.238 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 731 9.499 7.016 -3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 731 8.071 4.671 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 731 9.793 4.938 -2.442 1.00 0.00 H new ATOM 159 N LEU A 732 6.518 6.518 0.451 1.00 0.00 N ATOM 160 CA LEU A 732 5.401 6.574 1.388 1.00 0.00 C ATOM 161 C LEU A 732 5.873 6.835 2.814 1.00 0.00 C ATOM 162 O LEU A 732 5.115 7.339 3.643 1.00 0.00 O ATOM 163 CB LEU A 732 4.602 5.274 1.333 1.00 0.00 C ATOM 164 CG LEU A 732 3.851 5.044 0.024 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.719 3.559 -0.271 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.485 5.705 0.083 1.00 0.00 C ATOM 0 H LEU A 732 6.744 5.581 0.118 1.00 0.00 H new ATOM 0 HA LEU A 732 4.762 7.406 1.090 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.282 4.438 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.885 5.269 2.154 1.00 0.00 H new ATOM 0 HG LEU A 732 4.422 5.496 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.180 3.421 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.711 3.115 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.171 3.075 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.958 5.535 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.910 5.279 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.606 6.777 0.242 1.00 0.00 H new ATOM 178 N CYS A 733 7.123 6.487 3.101 1.00 0.00 N ATOM 179 CA CYS A 733 7.677 6.686 4.434 1.00 0.00 C ATOM 180 C CYS A 733 9.104 7.223 4.359 1.00 0.00 C ATOM 181 O CYS A 733 9.583 7.594 3.289 1.00 0.00 O ATOM 182 CB CYS A 733 7.648 5.372 5.215 1.00 0.00 C ATOM 183 SG CYS A 733 8.693 4.076 4.513 1.00 0.00 S ATOM 0 H CYS A 733 7.768 6.068 2.432 1.00 0.00 H new ATOM 0 HA CYS A 733 7.064 7.423 4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.964 5.564 6.240 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.621 5.011 5.261 1.00 0.00 H new ATOM 0 HG CYS A 733 9.585 4.612 3.734 1.00 0.00 H new ATOM 188 N GLU A 734 9.777 7.264 5.505 1.00 0.00 N ATOM 189 CA GLU A 734 11.148 7.757 5.569 1.00 0.00 C ATOM 190 C GLU A 734 12.097 6.666 6.056 1.00 0.00 C ATOM 191 O GLU A 734 12.977 6.916 6.879 1.00 0.00 O ATOM 192 CB GLU A 734 11.233 8.974 6.492 1.00 0.00 C ATOM 193 CG GLU A 734 10.198 10.044 6.184 1.00 0.00 C ATOM 194 CD GLU A 734 10.203 11.169 7.200 1.00 0.00 C ATOM 195 OE1 GLU A 734 11.303 11.580 7.625 1.00 0.00 O ATOM 196 OE2 GLU A 734 9.107 11.639 7.572 1.00 0.00 O ATOM 0 H GLU A 734 9.395 6.962 6.401 1.00 0.00 H new ATOM 0 HA GLU A 734 11.448 8.052 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 734 11.109 8.646 7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 734 12.229 9.410 6.414 1.00 0.00 H new ATOM 0 HG2 GLU A 734 10.389 10.454 5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 734 9.208 9.589 6.156 1.00 0.00 H new ATOM 203 N LEU A 735 11.910 5.454 5.543 1.00 0.00 N ATOM 204 CA LEU A 735 12.749 4.324 5.927 1.00 0.00 C ATOM 205 C LEU A 735 13.737 3.977 4.818 1.00 0.00 C ATOM 206 O LEU A 735 13.385 3.967 3.638 1.00 0.00 O ATOM 207 CB LEU A 735 11.883 3.106 6.254 1.00 0.00 C ATOM 208 CG LEU A 735 12.278 2.354 7.527 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.053 3.226 8.752 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.495 1.055 7.642 1.00 0.00 C ATOM 0 H LEU A 735 11.186 5.229 4.861 1.00 0.00 H new ATOM 0 HA LEU A 735 13.313 4.609 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.847 3.431 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.924 2.413 5.413 1.00 0.00 H new ATOM 0 HG LEU A 735 13.339 2.111 7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.339 2.675 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.658 4.129 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.000 3.500 8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.788 0.533 8.553 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.428 1.275 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.707 0.425 6.778 1.00 0.00 H new ATOM 222 N MET A 736 14.976 3.690 5.205 1.00 0.00 N ATOM 223 CA MET A 736 16.015 3.337 4.245 1.00 0.00 C ATOM 224 C MET A 736 16.262 1.833 4.246 1.00 0.00 C ATOM 225 O MET A 736 16.401 1.218 5.304 1.00 0.00 O ATOM 226 CB MET A 736 17.312 4.081 4.570 1.00 0.00 C ATOM 227 CG MET A 736 17.203 5.588 4.417 1.00 0.00 C ATOM 228 SD MET A 736 18.761 6.434 4.744 1.00 0.00 S ATOM 229 CE MET A 736 19.634 6.143 3.208 1.00 0.00 C ATOM 0 H MET A 736 15.285 3.695 6.177 1.00 0.00 H new ATOM 0 HA MET A 736 15.676 3.632 3.252 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.608 3.848 5.593 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.105 3.714 3.918 1.00 0.00 H new ATOM 0 HG2 MET A 736 16.872 5.824 3.406 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.440 5.964 5.098 1.00 0.00 H new ATOM 0 HE1 MET A 736 20.659 5.840 3.424 1.00 0.00 H new ATOM 0 HE2 MET A 736 19.132 5.354 2.648 1.00 0.00 H new ATOM 0 HE3 MET A 736 19.643 7.058 2.616 1.00 0.00 H new ATOM 239 N PHE A 737 16.310 1.244 3.056 1.00 0.00 N ATOM 240 CA PHE A 737 16.535 -0.191 2.925 1.00 0.00 C ATOM 241 C PHE A 737 17.919 -0.478 2.346 1.00 0.00 C ATOM 242 O PHE A 737 18.393 0.237 1.462 1.00 0.00 O ATOM 243 CB PHE A 737 15.452 -0.815 2.041 1.00 0.00 C ATOM 244 CG PHE A 737 14.082 -0.787 2.661 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.908 -1.088 4.003 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.970 -0.458 1.902 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.652 -1.062 4.576 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.709 -0.431 2.471 1.00 0.00 C ATOM 249 CZ PHE A 737 11.552 -0.733 3.809 1.00 0.00 C ATOM 0 H PHE A 737 16.196 1.737 2.170 1.00 0.00 H new ATOM 0 HA PHE A 737 16.484 -0.636 3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.422 -0.286 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.723 -1.848 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.765 -1.346 4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.089 -0.220 0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.530 -1.299 5.623 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.849 -0.174 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.569 -0.712 4.256 1.00 0.00 H new ATOM 259 N PRO A 738 18.592 -1.533 2.841 1.00 0.00 N ATOM 260 CA PRO A 738 19.932 -1.912 2.372 1.00 0.00 C ATOM 261 C PRO A 738 19.944 -2.309 0.898 1.00 0.00 C ATOM 262 O PRO A 738 18.922 -2.718 0.347 1.00 0.00 O ATOM 263 CB PRO A 738 20.301 -3.113 3.251 1.00 0.00 C ATOM 264 CG PRO A 738 19.002 -3.635 3.758 1.00 0.00 C ATOM 265 CD PRO A 738 18.105 -2.439 3.897 1.00 0.00 C ATOM 0 HA PRO A 738 20.634 -1.081 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.834 -3.872 2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.954 -2.815 4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.577 -4.364 3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.131 -4.140 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.057 -2.702 3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.186 -1.987 4.885 1.00 0.00 H new ATOM 273 N PRO A 739 21.111 -2.194 0.239 1.00 0.00 N ATOM 274 CA PRO A 739 21.258 -2.545 -1.178 1.00 0.00 C ATOM 275 C PRO A 739 20.923 -4.008 -1.447 1.00 0.00 C ATOM 276 O PRO A 739 20.523 -4.370 -2.554 1.00 0.00 O ATOM 277 CB PRO A 739 22.738 -2.273 -1.474 1.00 0.00 C ATOM 278 CG PRO A 739 23.405 -2.238 -0.141 1.00 0.00 C ATOM 279 CD PRO A 739 22.377 -1.718 0.821 1.00 0.00 C ATOM 0 HA PRO A 739 20.577 -1.972 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.163 -3.053 -2.106 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.866 -1.329 -2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.746 -3.231 0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.283 -1.593 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.531 -2.108 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.405 -0.631 0.893 1.00 0.00 H new ATOM 287 N ASN A 740 21.082 -4.846 -0.427 1.00 0.00 N ATOM 288 CA ASN A 740 20.792 -6.268 -0.555 1.00 0.00 C ATOM 289 C ASN A 740 19.324 -6.563 -0.243 1.00 0.00 C ATOM 290 O ASN A 740 18.928 -7.722 -0.121 1.00 0.00 O ATOM 291 CB ASN A 740 21.694 -7.080 0.376 1.00 0.00 C ATOM 292 CG ASN A 740 23.164 -6.772 0.171 1.00 0.00 C ATOM 293 OD1 ASN A 740 23.651 -6.734 -0.959 1.00 0.00 O ATOM 294 ND2 ASN A 740 23.881 -6.548 1.267 1.00 0.00 N ATOM 0 H ASN A 740 21.410 -4.564 0.497 1.00 0.00 H new ATOM 0 HA ASN A 740 20.988 -6.557 -1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 740 21.423 -6.873 1.411 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.522 -8.143 0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 740 24.876 -6.334 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.437 -6.590 2.184 1.00 0.00 H new ATOM 301 N TYR A 741 18.520 -5.509 -0.116 1.00 0.00 N ATOM 302 CA TYR A 741 17.101 -5.661 0.179 1.00 0.00 C ATOM 303 C TYR A 741 16.340 -6.140 -1.052 1.00 0.00 C ATOM 304 O TYR A 741 16.475 -5.574 -2.137 1.00 0.00 O ATOM 305 CB TYR A 741 16.521 -4.333 0.670 1.00 0.00 C ATOM 306 CG TYR A 741 15.139 -4.458 1.267 1.00 0.00 C ATOM 307 CD1 TYR A 741 14.006 -4.355 0.471 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.966 -4.679 2.628 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.741 -4.468 1.014 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.704 -4.793 3.178 1.00 0.00 C ATOM 311 CZ TYR A 741 12.595 -4.686 2.366 1.00 0.00 C ATOM 312 OH TYR A 741 11.336 -4.799 2.910 1.00 0.00 O ATOM 0 H TYR A 741 18.829 -4.542 -0.213 1.00 0.00 H new ATOM 0 HA TYR A 741 16.992 -6.410 0.963 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.192 -3.907 1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.485 -3.632 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 741 14.116 -4.184 -0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.833 -4.763 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.870 -4.386 0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.587 -4.965 4.238 1.00 0.00 H new ATOM 0 HH TYR A 741 11.409 -4.952 3.875 1.00 0.00 H new ATOM 322 N ASP A 742 15.539 -7.186 -0.877 1.00 0.00 N ATOM 323 CA ASP A 742 14.756 -7.740 -1.976 1.00 0.00 C ATOM 324 C ASP A 742 13.670 -6.764 -2.417 1.00 0.00 C ATOM 325 O ASP A 742 12.917 -6.244 -1.593 1.00 0.00 O ATOM 326 CB ASP A 742 14.127 -9.072 -1.562 1.00 0.00 C ATOM 327 CG ASP A 742 14.974 -10.262 -1.967 1.00 0.00 C ATOM 328 OD1 ASP A 742 14.949 -10.630 -3.160 1.00 0.00 O ATOM 329 OD2 ASP A 742 15.664 -10.826 -1.091 1.00 0.00 O ATOM 0 H ASP A 742 15.415 -7.667 0.014 1.00 0.00 H new ATOM 0 HA ASP A 742 15.427 -7.911 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 742 13.984 -9.083 -0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.140 -9.161 -2.016 1.00 0.00 H new ATOM 334 N GLN A 743 13.595 -6.519 -3.721 1.00 0.00 N ATOM 335 CA GLN A 743 12.603 -5.603 -4.272 1.00 0.00 C ATOM 336 C GLN A 743 11.189 -6.064 -3.934 1.00 0.00 C ATOM 337 O GLN A 743 10.321 -5.251 -3.618 1.00 0.00 O ATOM 338 CB GLN A 743 12.768 -5.489 -5.786 1.00 0.00 C ATOM 339 CG GLN A 743 12.567 -4.077 -6.316 1.00 0.00 C ATOM 340 CD GLN A 743 11.428 -3.982 -7.312 1.00 0.00 C ATOM 341 OE1 GLN A 743 11.353 -4.757 -8.264 1.00 0.00 O ATOM 342 NE2 GLN A 743 10.532 -3.024 -7.096 1.00 0.00 N ATOM 0 H GLN A 743 14.210 -6.942 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 743 12.762 -4.623 -3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.765 -5.833 -6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 743 12.055 -6.155 -6.272 1.00 0.00 H new ATOM 0 HG2 GLN A 743 12.371 -3.404 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.488 -3.737 -6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 743 10.633 -2.403 -6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.744 -2.910 -7.733 1.00 0.00 H new ATOM 351 N SER A 744 10.967 -7.372 -3.997 1.00 0.00 N ATOM 352 CA SER A 744 9.657 -7.938 -3.690 1.00 0.00 C ATOM 353 C SER A 744 9.196 -7.488 -2.309 1.00 0.00 C ATOM 354 O SER A 744 8.031 -7.137 -2.109 1.00 0.00 O ATOM 355 CB SER A 744 9.708 -9.466 -3.751 1.00 0.00 C ATOM 356 OG SER A 744 10.561 -9.906 -4.795 1.00 0.00 O ATOM 0 H SER A 744 11.674 -8.059 -4.257 1.00 0.00 H new ATOM 0 HA SER A 744 8.945 -7.580 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.061 -9.860 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.704 -9.861 -3.906 1.00 0.00 H new ATOM 0 HG SER A 744 10.578 -10.886 -4.812 1.00 0.00 H new ATOM 362 N LYS A 745 10.131 -7.475 -1.364 1.00 0.00 N ATOM 363 CA LYS A 745 9.834 -7.043 -0.008 1.00 0.00 C ATOM 364 C LYS A 745 9.509 -5.559 -0.011 1.00 0.00 C ATOM 365 O LYS A 745 8.655 -5.091 0.742 1.00 0.00 O ATOM 366 CB LYS A 745 11.019 -7.323 0.917 1.00 0.00 C ATOM 367 CG LYS A 745 11.098 -8.767 1.384 1.00 0.00 C ATOM 368 CD LYS A 745 12.532 -9.181 1.679 1.00 0.00 C ATOM 369 CE LYS A 745 12.794 -9.261 3.176 1.00 0.00 C ATOM 370 NZ LYS A 745 13.522 -8.063 3.677 1.00 0.00 N ATOM 0 H LYS A 745 11.099 -7.759 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 745 8.974 -7.601 0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.943 -7.067 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.951 -6.671 1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.490 -8.894 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 745 10.680 -9.421 0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.733 -10.150 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 745 13.219 -8.466 1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 745 11.846 -9.358 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 745 13.375 -10.157 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 13.307 -7.923 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 14.545 -8.204 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 13.223 -7.225 3.139 1.00 0.00 H new ATOM 384 N PHE A 746 10.195 -4.826 -0.882 1.00 0.00 N ATOM 385 CA PHE A 746 9.983 -3.394 -1.010 1.00 0.00 C ATOM 386 C PHE A 746 8.598 -3.128 -1.577 1.00 0.00 C ATOM 387 O PHE A 746 7.897 -2.223 -1.130 1.00 0.00 O ATOM 388 CB PHE A 746 11.051 -2.776 -1.910 1.00 0.00 C ATOM 389 CG PHE A 746 11.004 -1.275 -1.948 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.142 -0.535 -0.784 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.821 -0.602 -3.147 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.100 0.846 -0.814 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.778 0.779 -3.182 1.00 0.00 C ATOM 394 CZ PHE A 746 10.917 1.504 -2.014 1.00 0.00 C ATOM 0 H PHE A 746 10.904 -5.204 -1.510 1.00 0.00 H new ATOM 0 HA PHE A 746 10.057 -2.936 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 746 12.035 -3.093 -1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.930 -3.162 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.284 -1.044 0.158 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.711 -1.163 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.210 1.410 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.636 1.291 -4.122 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.883 2.583 -2.040 1.00 0.00 H new ATOM 404 N GLU A 747 8.201 -3.937 -2.553 1.00 0.00 N ATOM 405 CA GLU A 747 6.887 -3.802 -3.164 1.00 0.00 C ATOM 406 C GLU A 747 5.807 -4.024 -2.114 1.00 0.00 C ATOM 407 O GLU A 747 4.796 -3.321 -2.083 1.00 0.00 O ATOM 408 CB GLU A 747 6.721 -4.801 -4.312 1.00 0.00 C ATOM 409 CG GLU A 747 6.960 -4.194 -5.684 1.00 0.00 C ATOM 410 CD GLU A 747 6.574 -5.132 -6.812 1.00 0.00 C ATOM 411 OE1 GLU A 747 7.094 -6.266 -6.846 1.00 0.00 O ATOM 412 OE2 GLU A 747 5.750 -4.731 -7.661 1.00 0.00 O ATOM 0 H GLU A 747 8.770 -4.691 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 747 6.791 -2.795 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.413 -5.630 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.714 -5.217 -4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.389 -3.270 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 747 8.013 -3.928 -5.781 1.00 0.00 H new ATOM 419 N GLU A 748 6.041 -5.005 -1.248 1.00 0.00 N ATOM 420 CA GLU A 748 5.102 -5.327 -0.179 1.00 0.00 C ATOM 421 C GLU A 748 5.069 -4.214 0.863 1.00 0.00 C ATOM 422 O GLU A 748 4.003 -3.822 1.335 1.00 0.00 O ATOM 423 CB GLU A 748 5.490 -6.648 0.486 1.00 0.00 C ATOM 424 CG GLU A 748 5.029 -7.876 -0.284 1.00 0.00 C ATOM 425 CD GLU A 748 4.612 -9.013 0.629 1.00 0.00 C ATOM 426 OE1 GLU A 748 5.503 -9.745 1.109 1.00 0.00 O ATOM 427 OE2 GLU A 748 3.395 -9.170 0.864 1.00 0.00 O ATOM 0 H GLU A 748 6.875 -5.592 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 748 4.108 -5.425 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.574 -6.685 0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.066 -6.678 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 748 4.191 -7.604 -0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.834 -8.215 -0.936 1.00 0.00 H new ATOM 434 N HIS A 749 6.247 -3.705 1.207 1.00 0.00 N ATOM 435 CA HIS A 749 6.360 -2.628 2.184 1.00 0.00 C ATOM 436 C HIS A 749 5.675 -1.376 1.655 1.00 0.00 C ATOM 437 O HIS A 749 4.847 -0.771 2.334 1.00 0.00 O ATOM 438 CB HIS A 749 7.842 -2.367 2.494 1.00 0.00 C ATOM 439 CG HIS A 749 8.154 -0.967 2.929 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.253 -0.577 4.245 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.414 0.140 2.189 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.565 0.725 4.263 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.674 1.207 3.041 1.00 0.00 N ATOM 0 H HIS A 749 7.138 -4.021 0.824 1.00 0.00 H new ATOM 0 HA HIS A 749 5.864 -2.917 3.110 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.162 -3.056 3.276 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.431 -2.597 1.606 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.114 -1.173 5.061 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.418 0.185 1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.709 1.305 5.162 1.00 0.00 H new ATOM 451 N VAL A 750 6.010 -1.013 0.425 1.00 0.00 N ATOM 452 CA VAL A 750 5.411 0.147 -0.217 1.00 0.00 C ATOM 453 C VAL A 750 3.896 -0.019 -0.272 1.00 0.00 C ATOM 454 O VAL A 750 3.144 0.925 -0.036 1.00 0.00 O ATOM 455 CB VAL A 750 5.959 0.333 -1.645 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.275 1.498 -2.346 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.466 0.532 -1.614 1.00 0.00 C ATOM 0 H VAL A 750 6.694 -1.506 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 750 5.665 1.030 0.369 1.00 0.00 H new ATOM 0 HB VAL A 750 5.742 -0.572 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.681 1.607 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.203 1.308 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.450 2.415 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.837 0.662 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.704 1.418 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.939 -0.341 -1.164 1.00 0.00 H new ATOM 467 N GLU A 751 3.461 -1.239 -0.575 1.00 0.00 N ATOM 468 CA GLU A 751 2.040 -1.549 -0.651 1.00 0.00 C ATOM 469 C GLU A 751 1.416 -1.555 0.740 1.00 0.00 C ATOM 470 O GLU A 751 0.221 -1.312 0.898 1.00 0.00 O ATOM 471 CB GLU A 751 1.829 -2.906 -1.324 1.00 0.00 C ATOM 472 CG GLU A 751 2.183 -2.914 -2.802 1.00 0.00 C ATOM 473 CD GLU A 751 2.544 -4.298 -3.308 1.00 0.00 C ATOM 474 OE1 GLU A 751 2.878 -5.166 -2.475 1.00 0.00 O ATOM 475 OE2 GLU A 751 2.489 -4.513 -4.536 1.00 0.00 O ATOM 0 H GLU A 751 4.075 -2.029 -0.772 1.00 0.00 H new ATOM 0 HA GLU A 751 1.553 -0.778 -1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.432 -3.655 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.786 -3.202 -1.207 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.340 -2.530 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 751 3.020 -2.238 -2.975 1.00 0.00 H new ATOM 482 N SER A 752 2.236 -1.830 1.753 1.00 0.00 N ATOM 483 CA SER A 752 1.761 -1.858 3.130 1.00 0.00 C ATOM 484 C SER A 752 1.108 -0.530 3.492 1.00 0.00 C ATOM 485 O SER A 752 0.091 -0.492 4.184 1.00 0.00 O ATOM 486 CB SER A 752 2.916 -2.154 4.087 1.00 0.00 C ATOM 487 OG SER A 752 2.490 -2.964 5.170 1.00 0.00 O ATOM 0 H SER A 752 3.229 -2.036 1.644 1.00 0.00 H new ATOM 0 HA SER A 752 1.019 -2.651 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.719 -2.656 3.548 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.325 -1.218 4.468 1.00 0.00 H new ATOM 0 HG SER A 752 3.248 -3.139 5.765 1.00 0.00 H new ATOM 493 N HIS A 753 1.701 0.558 3.010 1.00 0.00 N ATOM 494 CA HIS A 753 1.174 1.895 3.274 1.00 0.00 C ATOM 495 C HIS A 753 -0.094 2.155 2.465 1.00 0.00 C ATOM 496 O HIS A 753 -0.918 2.991 2.838 1.00 0.00 O ATOM 497 CB HIS A 753 2.213 2.963 2.931 1.00 0.00 C ATOM 498 CG HIS A 753 3.578 2.685 3.476 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.004 3.095 4.718 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.629 2.035 2.914 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.272 2.695 4.871 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.699 2.046 3.805 1.00 0.00 N ATOM 0 H HIS A 753 2.544 0.542 2.436 1.00 0.00 H new ATOM 0 HA HIS A 753 0.936 1.947 4.336 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.278 3.056 1.847 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.870 3.924 3.313 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.451 3.612 5.402 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.634 1.582 1.934 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.868 2.880 5.753 1.00 0.00 H new ATOM 510 N TRP A 754 -0.241 1.443 1.352 1.00 0.00 N ATOM 511 CA TRP A 754 -1.405 1.608 0.488 1.00 0.00 C ATOM 512 C TRP A 754 -2.681 1.156 1.186 1.00 0.00 C ATOM 513 O TRP A 754 -2.642 0.352 2.118 1.00 0.00 O ATOM 514 CB TRP A 754 -1.221 0.821 -0.810 1.00 0.00 C ATOM 515 CG TRP A 754 -0.301 1.488 -1.785 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.764 2.287 -1.492 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.369 1.414 -3.212 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.363 2.716 -2.652 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.686 2.194 -3.721 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.218 0.764 -4.107 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.911 2.341 -5.088 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.996 0.908 -5.464 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.062 1.692 -5.942 1.00 0.00 C ATOM 0 H TRP A 754 0.430 0.747 1.027 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.497 2.669 0.257 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.832 -0.169 -0.574 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.194 0.677 -1.280 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.089 2.545 -0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.180 3.325 -2.707 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.036 0.158 -3.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.726 2.945 -5.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.648 0.409 -6.166 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.211 1.786 -7.008 1.00 0.00 H new ATOM 534 N LYS A 755 -3.812 1.670 0.719 1.00 0.00 N ATOM 535 CA LYS A 755 -5.108 1.313 1.284 1.00 0.00 C ATOM 536 C LYS A 755 -5.638 0.057 0.612 1.00 0.00 C ATOM 537 O LYS A 755 -5.889 0.052 -0.588 1.00 0.00 O ATOM 538 CB LYS A 755 -6.100 2.465 1.100 1.00 0.00 C ATOM 539 CG LYS A 755 -6.038 3.505 2.207 1.00 0.00 C ATOM 540 CD LYS A 755 -5.996 4.916 1.643 1.00 0.00 C ATOM 541 CE LYS A 755 -6.291 5.952 2.716 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.045 6.478 3.337 1.00 0.00 N ATOM 0 H LYS A 755 -3.858 2.337 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 755 -4.987 1.121 2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.905 2.952 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.110 2.059 1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.906 3.398 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.155 3.331 2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.014 5.107 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.723 5.009 0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -6.855 6.776 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -6.921 5.507 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -5.289 7.181 4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.519 5.696 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -4.455 6.925 2.607 1.00 0.00 H new ATOM 556 N VAL A 756 -5.791 -1.016 1.378 1.00 0.00 N ATOM 557 CA VAL A 756 -6.275 -2.272 0.819 1.00 0.00 C ATOM 558 C VAL A 756 -7.545 -2.758 1.500 1.00 0.00 C ATOM 559 O VAL A 756 -7.649 -2.771 2.726 1.00 0.00 O ATOM 560 CB VAL A 756 -5.204 -3.374 0.908 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.673 -4.644 0.211 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.900 -2.886 0.309 1.00 0.00 C ATOM 0 H VAL A 756 -5.589 -1.043 2.378 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.502 -2.068 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.038 -3.609 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.899 -5.408 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.586 -5.004 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.870 -4.431 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.150 -3.674 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -4.056 -2.624 -0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.555 -2.008 0.855 1.00 0.00 H new ATOM 572 N CYS A 757 -8.502 -3.173 0.680 1.00 0.00 N ATOM 573 CA CYS A 757 -9.773 -3.686 1.174 1.00 0.00 C ATOM 574 C CYS A 757 -9.603 -5.119 1.680 1.00 0.00 C ATOM 575 O CYS A 757 -9.019 -5.957 0.994 1.00 0.00 O ATOM 576 CB CYS A 757 -10.824 -3.636 0.064 1.00 0.00 C ATOM 577 SG CYS A 757 -12.484 -4.124 0.592 1.00 0.00 S ATOM 0 H CYS A 757 -8.421 -3.164 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.108 -3.062 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.865 -2.623 -0.336 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.508 -4.288 -0.750 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.791 -5.268 0.057 1.00 0.00 H new ATOM 582 N PRO A 758 -10.091 -5.419 2.897 1.00 0.00 N ATOM 583 CA PRO A 758 -9.967 -6.748 3.491 1.00 0.00 C ATOM 584 C PRO A 758 -11.100 -7.697 3.107 1.00 0.00 C ATOM 585 O PRO A 758 -11.053 -8.885 3.428 1.00 0.00 O ATOM 586 CB PRO A 758 -10.015 -6.439 4.984 1.00 0.00 C ATOM 587 CG PRO A 758 -10.920 -5.256 5.094 1.00 0.00 C ATOM 588 CD PRO A 758 -10.783 -4.482 3.803 1.00 0.00 C ATOM 0 HA PRO A 758 -9.067 -7.263 3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.399 -7.286 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -9.022 -6.217 5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.952 -5.571 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.645 -4.636 5.948 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.756 -4.190 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.209 -3.567 3.945 1.00 0.00 H new ATOM 596 N MET A 759 -12.122 -7.178 2.433 1.00 0.00 N ATOM 597 CA MET A 759 -13.257 -8.004 2.033 1.00 0.00 C ATOM 598 C MET A 759 -13.010 -8.682 0.688 1.00 0.00 C ATOM 599 O MET A 759 -13.565 -9.745 0.410 1.00 0.00 O ATOM 600 CB MET A 759 -14.529 -7.158 1.969 1.00 0.00 C ATOM 601 CG MET A 759 -15.010 -6.686 3.333 1.00 0.00 C ATOM 602 SD MET A 759 -15.281 -8.044 4.488 1.00 0.00 S ATOM 603 CE MET A 759 -15.063 -7.204 6.054 1.00 0.00 C ATOM 0 H MET A 759 -12.188 -6.199 2.154 1.00 0.00 H new ATOM 0 HA MET A 759 -13.381 -8.785 2.784 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.347 -6.290 1.336 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.320 -7.739 1.494 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.276 -5.998 3.754 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.938 -6.127 3.212 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.793 -7.929 6.822 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.270 -6.462 5.962 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.993 -6.709 6.334 1.00 0.00 H new ATOM 613 N CYS A 760 -12.174 -8.070 -0.145 1.00 0.00 N ATOM 614 CA CYS A 760 -11.863 -8.632 -1.458 1.00 0.00 C ATOM 615 C CYS A 760 -10.353 -8.682 -1.707 1.00 0.00 C ATOM 616 O CYS A 760 -9.878 -9.504 -2.491 1.00 0.00 O ATOM 617 CB CYS A 760 -12.548 -7.821 -2.557 1.00 0.00 C ATOM 618 SG CYS A 760 -11.864 -6.168 -2.785 1.00 0.00 S ATOM 0 H CYS A 760 -11.702 -7.190 0.062 1.00 0.00 H new ATOM 0 HA CYS A 760 -12.240 -9.655 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.473 -8.367 -3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.609 -7.735 -2.323 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.714 -5.283 -2.355 1.00 0.00 H new ATOM 623 N SER A 761 -9.608 -7.803 -1.033 1.00 0.00 N ATOM 624 CA SER A 761 -8.150 -7.740 -1.167 1.00 0.00 C ATOM 625 C SER A 761 -7.726 -6.860 -2.343 1.00 0.00 C ATOM 626 O SER A 761 -6.824 -7.216 -3.103 1.00 0.00 O ATOM 627 CB SER A 761 -7.547 -9.141 -1.320 1.00 0.00 C ATOM 628 OG SER A 761 -6.371 -9.278 -0.540 1.00 0.00 O ATOM 0 H SER A 761 -9.995 -7.119 -0.383 1.00 0.00 H new ATOM 0 HA SER A 761 -7.768 -7.291 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 761 -8.278 -9.890 -1.016 1.00 0.00 H new ATOM 0 HB3 SER A 761 -7.316 -9.328 -2.369 1.00 0.00 H new ATOM 0 HG SER A 761 -6.006 -10.181 -0.654 1.00 0.00 H new ATOM 634 N GLU A 762 -8.363 -5.699 -2.474 1.00 0.00 N ATOM 635 CA GLU A 762 -8.029 -4.761 -3.544 1.00 0.00 C ATOM 636 C GLU A 762 -7.001 -3.758 -3.053 1.00 0.00 C ATOM 637 O GLU A 762 -6.994 -3.401 -1.877 1.00 0.00 O ATOM 638 CB GLU A 762 -9.278 -4.018 -4.027 1.00 0.00 C ATOM 639 CG GLU A 762 -9.313 -3.803 -5.530 1.00 0.00 C ATOM 640 CD GLU A 762 -10.203 -4.803 -6.242 1.00 0.00 C ATOM 641 OE1 GLU A 762 -11.406 -4.867 -5.913 1.00 0.00 O ATOM 642 OE2 GLU A 762 -9.696 -5.523 -7.128 1.00 0.00 O ATOM 0 H GLU A 762 -9.111 -5.385 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.616 -5.329 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -10.163 -4.579 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.331 -3.050 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.666 -2.794 -5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -8.301 -3.876 -5.927 1.00 0.00 H new ATOM 649 N GLN A 763 -6.136 -3.297 -3.948 1.00 0.00 N ATOM 650 CA GLN A 763 -5.124 -2.330 -3.559 1.00 0.00 C ATOM 651 C GLN A 763 -5.476 -0.944 -4.083 1.00 0.00 C ATOM 652 O GLN A 763 -5.786 -0.765 -5.261 1.00 0.00 O ATOM 653 CB GLN A 763 -3.753 -2.755 -4.089 1.00 0.00 C ATOM 654 CG GLN A 763 -2.851 -3.363 -3.028 1.00 0.00 C ATOM 655 CD GLN A 763 -1.406 -2.928 -3.172 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.572 -3.667 -3.695 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.101 -1.723 -2.704 1.00 0.00 N ATOM 0 H GLN A 763 -6.116 -3.572 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.088 -2.292 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.892 -3.478 -4.893 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.256 -1.887 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.215 -3.079 -2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.907 -4.450 -3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.824 -1.143 -2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.144 -1.377 -2.771 1.00 0.00 H new ATOM 666 N PHE A 764 -5.413 0.030 -3.189 1.00 0.00 N ATOM 667 CA PHE A 764 -5.707 1.416 -3.526 1.00 0.00 C ATOM 668 C PHE A 764 -4.488 2.306 -3.282 1.00 0.00 C ATOM 669 O PHE A 764 -3.998 2.393 -2.154 1.00 0.00 O ATOM 670 CB PHE A 764 -6.901 1.919 -2.710 1.00 0.00 C ATOM 671 CG PHE A 764 -8.166 1.149 -2.968 1.00 0.00 C ATOM 672 CD1 PHE A 764 -9.024 1.522 -3.991 1.00 0.00 C ATOM 673 CD2 PHE A 764 -8.496 0.051 -2.189 1.00 0.00 C ATOM 674 CE1 PHE A 764 -10.187 0.814 -4.231 1.00 0.00 C ATOM 675 CE2 PHE A 764 -9.657 -0.660 -2.425 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.503 -0.279 -3.446 1.00 0.00 C ATOM 0 H PHE A 764 -5.158 -0.116 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.959 1.463 -4.586 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.658 1.859 -1.649 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.071 2.971 -2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -8.781 2.375 -4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -7.838 -0.252 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -10.848 1.114 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -9.902 -1.514 -1.810 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.411 -0.834 -3.632 1.00 0.00 H new ATOM 686 N PRO A 765 -3.977 2.985 -4.325 1.00 0.00 N ATOM 687 CA PRO A 765 -2.813 3.867 -4.188 1.00 0.00 C ATOM 688 C PRO A 765 -3.055 4.976 -3.169 1.00 0.00 C ATOM 689 O PRO A 765 -4.199 5.315 -2.868 1.00 0.00 O ATOM 690 CB PRO A 765 -2.637 4.460 -5.591 1.00 0.00 C ATOM 691 CG PRO A 765 -3.333 3.508 -6.500 1.00 0.00 C ATOM 692 CD PRO A 765 -4.483 2.953 -5.708 1.00 0.00 C ATOM 0 HA PRO A 765 -1.935 3.329 -3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.072 5.457 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.583 4.555 -5.850 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.685 4.013 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.661 2.713 -6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.382 3.558 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.738 1.941 -6.021 1.00 0.00 H new ATOM 700 N PRO A 766 -1.976 5.559 -2.620 1.00 0.00 N ATOM 701 CA PRO A 766 -2.077 6.633 -1.628 1.00 0.00 C ATOM 702 C PRO A 766 -2.723 7.890 -2.200 1.00 0.00 C ATOM 703 O PRO A 766 -3.298 8.693 -1.464 1.00 0.00 O ATOM 704 CB PRO A 766 -0.620 6.908 -1.240 1.00 0.00 C ATOM 705 CG PRO A 766 0.185 6.392 -2.382 1.00 0.00 C ATOM 706 CD PRO A 766 -0.577 5.216 -2.921 1.00 0.00 C ATOM 0 HA PRO A 766 -2.706 6.347 -0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.447 7.973 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.357 6.403 -0.311 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.315 7.158 -3.147 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.182 6.096 -2.056 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.415 5.087 -3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.277 4.286 -2.438 1.00 0.00 H new ATOM 714 N ASP A 767 -2.631 8.053 -3.515 1.00 0.00 N ATOM 715 CA ASP A 767 -3.213 9.211 -4.184 1.00 0.00 C ATOM 716 C ASP A 767 -4.709 9.011 -4.430 1.00 0.00 C ATOM 717 O ASP A 767 -5.384 9.899 -4.950 1.00 0.00 O ATOM 718 CB ASP A 767 -2.498 9.471 -5.511 1.00 0.00 C ATOM 719 CG ASP A 767 -2.564 10.927 -5.928 1.00 0.00 C ATOM 720 OD1 ASP A 767 -2.095 11.789 -5.154 1.00 0.00 O ATOM 721 OD2 ASP A 767 -3.087 11.207 -7.027 1.00 0.00 O ATOM 0 H ASP A 767 -2.159 7.398 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.085 10.075 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -1.455 9.168 -5.424 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -2.946 8.853 -6.289 1.00 0.00 H new ATOM 726 N TYR A 768 -5.222 7.841 -4.053 1.00 0.00 N ATOM 727 CA TYR A 768 -6.635 7.532 -4.234 1.00 0.00 C ATOM 728 C TYR A 768 -7.492 8.315 -3.247 1.00 0.00 C ATOM 729 O TYR A 768 -6.990 8.841 -2.254 1.00 0.00 O ATOM 730 CB TYR A 768 -6.875 6.032 -4.054 1.00 0.00 C ATOM 731 CG TYR A 768 -7.924 5.469 -4.986 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.702 5.408 -6.356 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.136 4.999 -4.496 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.659 4.895 -7.211 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.097 4.484 -5.344 1.00 0.00 C ATOM 736 CZ TYR A 768 -9.854 4.434 -6.700 1.00 0.00 C ATOM 737 OH TYR A 768 -10.809 3.922 -7.549 1.00 0.00 O ATOM 0 H TYR A 768 -4.679 7.094 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.919 7.822 -5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.937 5.501 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.177 5.842 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.767 5.767 -6.759 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.330 5.037 -3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.472 4.855 -8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.034 4.122 -4.947 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.477 3.428 -7.030 1.00 0.00 H new ATOM 747 N ASP A 769 -8.790 8.382 -3.523 1.00 0.00 N ATOM 748 CA ASP A 769 -9.719 9.096 -2.656 1.00 0.00 C ATOM 749 C ASP A 769 -10.327 8.151 -1.624 1.00 0.00 C ATOM 750 O ASP A 769 -10.902 7.121 -1.976 1.00 0.00 O ATOM 751 CB ASP A 769 -10.828 9.747 -3.484 1.00 0.00 C ATOM 752 CG ASP A 769 -10.475 11.157 -3.914 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.060 11.955 -3.048 1.00 0.00 O ATOM 754 OD2 ASP A 769 -10.617 11.465 -5.117 1.00 0.00 O ATOM 0 H ASP A 769 -9.222 7.951 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.165 9.875 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -11.023 9.139 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.749 9.767 -2.901 1.00 0.00 H new ATOM 759 N GLN A 770 -10.193 8.505 -0.350 1.00 0.00 N ATOM 760 CA GLN A 770 -10.729 7.685 0.730 1.00 0.00 C ATOM 761 C GLN A 770 -12.224 7.445 0.543 1.00 0.00 C ATOM 762 O GLN A 770 -12.750 6.405 0.937 1.00 0.00 O ATOM 763 CB GLN A 770 -10.471 8.351 2.083 1.00 0.00 C ATOM 764 CG GLN A 770 -9.236 7.823 2.795 1.00 0.00 C ATOM 765 CD GLN A 770 -9.547 7.261 4.169 1.00 0.00 C ATOM 766 OE1 GLN A 770 -9.147 7.824 5.188 1.00 0.00 O ATOM 767 NE2 GLN A 770 -10.264 6.144 4.202 1.00 0.00 N ATOM 0 H GLN A 770 -9.718 9.353 -0.041 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.220 6.721 0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -10.363 9.426 1.935 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.341 8.203 2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -8.775 7.046 2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -8.506 8.627 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -10.575 5.711 3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -10.504 5.718 5.097 1.00 0.00 H new ATOM 776 N GLN A 771 -12.902 8.412 -0.068 1.00 0.00 N ATOM 777 CA GLN A 771 -14.335 8.296 -0.313 1.00 0.00 C ATOM 778 C GLN A 771 -14.629 7.091 -1.199 1.00 0.00 C ATOM 779 O GLN A 771 -15.538 6.308 -0.920 1.00 0.00 O ATOM 780 CB GLN A 771 -14.867 9.571 -0.971 1.00 0.00 C ATOM 781 CG GLN A 771 -14.807 10.793 -0.068 1.00 0.00 C ATOM 782 CD GLN A 771 -15.893 11.803 -0.382 1.00 0.00 C ATOM 783 OE1 GLN A 771 -17.071 11.571 -0.110 1.00 0.00 O ATOM 784 NE2 GLN A 771 -15.501 12.933 -0.959 1.00 0.00 N ATOM 0 H GLN A 771 -12.484 9.281 -0.401 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.837 8.157 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.293 9.770 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -15.900 9.407 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -14.899 10.477 0.971 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -13.832 11.269 -0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -14.514 13.084 -1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -16.187 13.650 -1.194 1.00 0.00 H new ATOM 793 N VAL A 772 -13.845 6.944 -2.262 1.00 0.00 N ATOM 794 CA VAL A 772 -14.014 5.830 -3.185 1.00 0.00 C ATOM 795 C VAL A 772 -13.625 4.516 -2.517 1.00 0.00 C ATOM 796 O VAL A 772 -14.273 3.488 -2.713 1.00 0.00 O ATOM 797 CB VAL A 772 -13.168 6.017 -4.459 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.466 4.918 -5.467 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.414 7.390 -5.068 1.00 0.00 C ATOM 0 H VAL A 772 -13.087 7.582 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.067 5.802 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.115 5.950 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.858 5.068 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.232 3.948 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.522 4.949 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.808 7.503 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.468 7.490 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.142 8.162 -4.348 1.00 0.00 H new ATOM 809 N PHE A 773 -12.563 4.559 -1.725 1.00 0.00 N ATOM 810 CA PHE A 773 -12.098 3.373 -1.024 1.00 0.00 C ATOM 811 C PHE A 773 -13.102 2.943 0.040 1.00 0.00 C ATOM 812 O PHE A 773 -13.502 1.782 0.095 1.00 0.00 O ATOM 813 CB PHE A 773 -10.737 3.630 -0.373 1.00 0.00 C ATOM 814 CG PHE A 773 -10.302 2.517 0.537 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.340 1.199 0.106 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.871 2.786 1.825 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.951 0.173 0.944 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.480 1.762 2.667 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.522 0.454 2.226 1.00 0.00 C ATOM 0 H PHE A 773 -12.010 5.399 -1.553 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.996 2.572 -1.756 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.988 3.768 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.782 4.559 0.195 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.677 0.973 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.840 3.807 2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.982 -0.849 0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.142 1.984 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.220 -0.348 2.883 1.00 0.00 H new ATOM 829 N GLU A 774 -13.499 3.889 0.887 1.00 0.00 N ATOM 830 CA GLU A 774 -14.449 3.607 1.956 1.00 0.00 C ATOM 831 C GLU A 774 -15.739 3.032 1.392 1.00 0.00 C ATOM 832 O GLU A 774 -16.290 2.073 1.930 1.00 0.00 O ATOM 833 CB GLU A 774 -14.744 4.874 2.759 1.00 0.00 C ATOM 834 CG GLU A 774 -13.768 5.113 3.900 1.00 0.00 C ATOM 835 CD GLU A 774 -13.964 6.462 4.562 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.955 6.620 5.304 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.125 7.360 4.338 1.00 0.00 O ATOM 0 H GLU A 774 -13.177 4.856 0.853 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.002 2.868 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.723 5.733 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.754 4.811 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.886 4.326 4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -12.748 5.043 3.522 1.00 0.00 H new ATOM 844 N ARG A 775 -16.211 3.616 0.298 1.00 0.00 N ATOM 845 CA ARG A 775 -17.428 3.146 -0.341 1.00 0.00 C ATOM 846 C ARG A 775 -17.227 1.729 -0.871 1.00 0.00 C ATOM 847 O ARG A 775 -18.122 0.889 -0.778 1.00 0.00 O ATOM 848 CB ARG A 775 -17.856 4.106 -1.458 1.00 0.00 C ATOM 849 CG ARG A 775 -17.078 3.956 -2.757 1.00 0.00 C ATOM 850 CD ARG A 775 -17.799 4.622 -3.917 1.00 0.00 C ATOM 851 NE ARG A 775 -19.080 3.982 -4.208 1.00 0.00 N ATOM 852 CZ ARG A 775 -20.046 4.550 -4.925 1.00 0.00 C ATOM 853 NH1 ARG A 775 -19.882 5.769 -5.426 1.00 0.00 N ATOM 854 NH2 ARG A 775 -21.180 3.900 -5.143 1.00 0.00 N ATOM 0 H ARG A 775 -15.770 4.412 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.230 3.122 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -18.915 3.952 -1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -17.746 5.130 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -16.087 4.396 -2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -16.934 2.898 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -17.964 5.674 -3.685 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -17.167 4.587 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 775 -19.243 3.045 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -19.012 6.275 -5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -20.626 6.199 -5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -21.313 2.964 -4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -21.920 4.336 -5.693 1.00 0.00 H new ATOM 868 N HIS A 776 -16.040 1.468 -1.417 1.00 0.00 N ATOM 869 CA HIS A 776 -15.718 0.149 -1.949 1.00 0.00 C ATOM 870 C HIS A 776 -15.668 -0.885 -0.827 1.00 0.00 C ATOM 871 O HIS A 776 -16.259 -1.958 -0.935 1.00 0.00 O ATOM 872 CB HIS A 776 -14.380 0.190 -2.692 1.00 0.00 C ATOM 873 CG HIS A 776 -13.713 -1.147 -2.819 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.809 -1.951 -3.931 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.929 -1.820 -1.937 1.00 0.00 C ATOM 876 CE1 HIS A 776 -13.098 -3.061 -3.697 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.543 -3.028 -2.503 1.00 0.00 N ATOM 0 H HIS A 776 -15.288 2.152 -1.501 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.501 -0.141 -2.650 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.542 0.600 -3.689 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.708 0.872 -2.172 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.329 -1.739 -4.782 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.651 -1.471 -0.953 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.993 -3.877 -4.396 1.00 0.00 H new ATOM 885 N VAL A 777 -14.965 -0.559 0.254 1.00 0.00 N ATOM 886 CA VAL A 777 -14.867 -1.475 1.384 1.00 0.00 C ATOM 887 C VAL A 777 -16.235 -1.642 2.029 1.00 0.00 C ATOM 888 O VAL A 777 -16.631 -2.745 2.405 1.00 0.00 O ATOM 889 CB VAL A 777 -13.863 -1.006 2.457 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.269 -2.202 3.181 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.760 -0.152 1.856 1.00 0.00 C ATOM 0 H VAL A 777 -14.461 0.320 0.370 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.504 -2.423 0.987 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.406 -0.389 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.562 -1.856 3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -14.066 -2.768 3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.752 -2.841 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.072 0.160 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.218 -0.731 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.197 0.729 1.386 1.00 0.00 H new ATOM 901 N GLN A 778 -16.960 -0.531 2.133 1.00 0.00 N ATOM 902 CA GLN A 778 -18.298 -0.538 2.708 1.00 0.00 C ATOM 903 C GLN A 778 -19.241 -1.339 1.820 1.00 0.00 C ATOM 904 O GLN A 778 -20.185 -1.967 2.299 1.00 0.00 O ATOM 905 CB GLN A 778 -18.817 0.893 2.867 1.00 0.00 C ATOM 906 CG GLN A 778 -18.188 1.646 4.026 1.00 0.00 C ATOM 907 CD GLN A 778 -18.606 1.091 5.372 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.795 0.917 5.643 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.628 0.810 6.225 1.00 0.00 N ATOM 0 H GLN A 778 -16.640 0.387 1.825 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.253 -1.004 3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.630 1.442 1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.898 0.865 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.102 1.600 3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.468 2.698 3.967 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.657 0.970 5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -17.848 0.434 7.147 1.00 0.00 H new ATOM 918 N THR A 779 -18.963 -1.318 0.520 1.00 0.00 N ATOM 919 CA THR A 779 -19.766 -2.046 -0.451 1.00 0.00 C ATOM 920 C THR A 779 -19.762 -3.538 -0.126 1.00 0.00 C ATOM 921 O THR A 779 -20.695 -4.264 -0.469 1.00 0.00 O ATOM 922 CB THR A 779 -19.229 -1.794 -1.866 1.00 0.00 C ATOM 923 OG1 THR A 779 -19.548 -0.482 -2.293 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.763 -2.751 -2.910 1.00 0.00 C ATOM 0 H THR A 779 -18.183 -0.801 0.115 1.00 0.00 H new ATOM 0 HA THR A 779 -20.795 -1.690 -0.403 1.00 0.00 H new ATOM 0 HB THR A 779 -18.152 -1.945 -1.786 1.00 0.00 H new ATOM 0 HG1 THR A 779 -19.448 0.140 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 779 -19.335 -2.505 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 779 -19.491 -3.772 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 779 -20.849 -2.666 -2.960 1.00 0.00 H new ATOM 932 N HIS A 780 -18.704 -3.984 0.545 1.00 0.00 N ATOM 933 CA HIS A 780 -18.571 -5.381 0.929 1.00 0.00 C ATOM 934 C HIS A 780 -19.295 -5.654 2.245 1.00 0.00 C ATOM 935 O HIS A 780 -19.785 -6.758 2.479 1.00 0.00 O ATOM 936 CB HIS A 780 -17.093 -5.745 1.067 1.00 0.00 C ATOM 937 CG HIS A 780 -16.335 -5.658 -0.219 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.427 -6.593 -1.225 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.458 -4.717 -0.658 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.623 -6.203 -2.222 1.00 0.00 C ATOM 941 NE2 HIS A 780 -15.014 -5.071 -1.928 1.00 0.00 N ATOM 0 H HIS A 780 -17.924 -3.393 0.834 1.00 0.00 H new ATOM 0 HA HIS A 780 -19.025 -5.995 0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.630 -5.082 1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -17.012 -6.759 1.460 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -17.005 -7.433 -1.213 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.155 -3.837 -0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.490 -6.745 -3.147 1.00 0.00 H new ATOM 949 N PHE A 781 -19.356 -4.637 3.100 1.00 0.00 N ATOM 950 CA PHE A 781 -20.019 -4.761 4.394 1.00 0.00 C ATOM 951 C PHE A 781 -21.532 -4.855 4.228 1.00 0.00 C ATOM 952 O PHE A 781 -22.224 -5.429 5.070 1.00 0.00 O ATOM 953 CB PHE A 781 -19.662 -3.567 5.285 1.00 0.00 C ATOM 954 CG PHE A 781 -18.183 -3.326 5.424 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.266 -4.333 5.155 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.712 -2.089 5.825 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.909 -4.105 5.284 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.356 -1.855 5.956 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.454 -2.865 5.685 1.00 0.00 C ATOM 0 H PHE A 781 -18.954 -3.717 2.920 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.671 -5.679 4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.129 -2.670 4.877 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -20.088 -3.726 6.276 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.617 -5.305 4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.413 -1.296 6.039 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.205 -4.896 5.071 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -16.003 -0.884 6.270 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.394 -2.685 5.787 1.00 0.00 H new ATOM 969 N ASP A 782 -22.042 -4.289 3.139 1.00 0.00 N ATOM 970 CA ASP A 782 -23.475 -4.310 2.865 1.00 0.00 C ATOM 971 C ASP A 782 -23.877 -5.592 2.140 1.00 0.00 C ATOM 972 O ASP A 782 -25.040 -5.995 2.173 1.00 0.00 O ATOM 973 CB ASP A 782 -23.873 -3.092 2.029 1.00 0.00 C ATOM 974 CG ASP A 782 -24.174 -1.878 2.885 1.00 0.00 C ATOM 975 OD1 ASP A 782 -24.819 -2.041 3.942 1.00 0.00 O ATOM 976 OD2 ASP A 782 -23.766 -0.762 2.498 1.00 0.00 O ATOM 0 H ASP A 782 -21.485 -3.810 2.432 1.00 0.00 H new ATOM 0 HA ASP A 782 -24.000 -4.277 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -23.068 -2.853 1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.750 -3.337 1.429 1.00 0.00 H new