USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 757 CYS SG : rot -120:sc= -5.87! USER MOD Set 1.2: A 760 CYS SG : rot -110:sc= -1.1 USER MOD Set 1.3: A 776 HIS : no HE2:sc= -1.91 K(o=-12,f=-17) USER MOD Set 1.4: A 780 HIS : no HE2:sc= -3.59 K(o=-12,f=-13) USER MOD Set 2.1: A 730 CYS SG : rot -131:sc= -3.57 USER MOD Set 2.2: A 733 CYS SG : rot 149:sc= -1.47 USER MOD Set 2.3: A 749 HIS : no HE2:sc= -4.98 K(o=-13,f=-20!) USER MOD Set 2.4: A 753 HIS : no HE2:sc= -3.18 K(o=-13,f=-20!) USER MOD Set 3.1: A 727 HIS : no HD1:sc= -3.66! X(o=-3.9!,f=-3.8) USER MOD Set 3.2: A 736 MET CE :methyl -119:sc= -0.251 (180deg=-0.212) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 740 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.7!) USER MOD Single : A 741 TYR OH : rot 180:sc= 0 USER MOD Single : A 743 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 744 SER OG : rot 180:sc= -0.119 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 759 MET CE :methyl -157:sc= -0.782 (180deg=-2.75!) USER MOD Single : A 761 SER OG : rot -69:sc= 0.564 USER MOD Single : A 763 GLN : amide:sc= -2.3 K(o=-2.3,f=-4.5!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 770 GLN : amide:sc= -5.68 K(o=-5.7,f=-3.7!) USER MOD Single : A 771 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 778 GLN : amide:sc= -1 X(o=-1,f=-0.95) USER MOD Single : A 779 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.539 3.429 -1.184 1.00 0.00 N ATOM 74 CA HIS A 727 19.501 2.860 -0.333 1.00 0.00 C ATOM 75 C HIS A 727 18.125 3.018 -0.971 1.00 0.00 C ATOM 76 O HIS A 727 17.840 4.031 -1.612 1.00 0.00 O ATOM 77 CB HIS A 727 19.516 3.531 1.043 1.00 0.00 C ATOM 78 CG HIS A 727 20.407 2.846 2.032 1.00 0.00 C ATOM 79 ND1 HIS A 727 20.896 3.467 3.162 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.895 1.584 2.057 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.647 2.616 3.838 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.662 1.467 3.189 1.00 0.00 N ATOM 0 HA HIS A 727 19.707 1.796 -0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 727 19.840 4.566 0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.500 3.556 1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.714 0.813 1.323 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.161 2.825 4.764 1.00 0.00 H new ATOM 0 HE2 HIS A 727 22.163 0.628 3.481 1.00 0.00 H new ATOM 91 N LYS A 728 17.275 2.014 -0.790 1.00 0.00 N ATOM 92 CA LYS A 728 15.929 2.043 -1.346 1.00 0.00 C ATOM 93 C LYS A 728 14.963 2.731 -0.388 1.00 0.00 C ATOM 94 O LYS A 728 14.660 2.209 0.685 1.00 0.00 O ATOM 95 CB LYS A 728 15.443 0.624 -1.645 1.00 0.00 C ATOM 96 CG LYS A 728 15.932 0.082 -2.979 1.00 0.00 C ATOM 97 CD LYS A 728 15.570 -1.385 -3.153 1.00 0.00 C ATOM 98 CE LYS A 728 15.064 -1.671 -4.558 1.00 0.00 C ATOM 99 NZ LYS A 728 16.164 -1.647 -5.560 1.00 0.00 N ATOM 0 H LYS A 728 17.495 1.169 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 728 15.960 2.610 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.776 -0.041 -0.848 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.353 0.612 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 728 15.496 0.664 -3.791 1.00 0.00 H new ATOM 0 HG3 LYS A 728 17.013 0.201 -3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 728 16.444 -2.003 -2.947 1.00 0.00 H new ATOM 0 HD3 LYS A 728 14.806 -1.661 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 728 14.577 -2.646 -4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 728 14.310 -0.933 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 15.777 -1.847 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 16.613 -0.709 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 16.872 -2.369 -5.316 1.00 0.00 H new ATOM 113 N LYS A 729 14.485 3.906 -0.782 1.00 0.00 N ATOM 114 CA LYS A 729 13.554 4.666 0.043 1.00 0.00 C ATOM 115 C LYS A 729 12.140 4.589 -0.520 1.00 0.00 C ATOM 116 O LYS A 729 11.896 4.967 -1.666 1.00 0.00 O ATOM 117 CB LYS A 729 14.000 6.127 0.137 1.00 0.00 C ATOM 118 CG LYS A 729 13.309 6.904 1.244 1.00 0.00 C ATOM 119 CD LYS A 729 13.213 8.384 0.909 1.00 0.00 C ATOM 120 CE LYS A 729 13.390 9.248 2.148 1.00 0.00 C ATOM 121 NZ LYS A 729 13.669 10.668 1.799 1.00 0.00 N ATOM 0 H LYS A 729 14.727 4.352 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 729 13.551 4.229 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.077 6.159 0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.807 6.619 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.309 6.500 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 729 13.858 6.776 2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 729 13.974 8.642 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 729 12.245 8.593 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 729 12.489 9.195 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 729 14.208 8.855 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 13.783 11.224 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 14.542 10.722 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 12.877 11.052 1.245 1.00 0.00 H new ATOM 135 N CYS A 730 11.210 4.101 0.294 1.00 0.00 N ATOM 136 CA CYS A 730 9.820 3.976 -0.123 1.00 0.00 C ATOM 137 C CYS A 730 9.152 5.351 -0.169 1.00 0.00 C ATOM 138 O CYS A 730 9.441 6.214 0.660 1.00 0.00 O ATOM 139 CB CYS A 730 9.068 3.038 0.830 1.00 0.00 C ATOM 140 SG CYS A 730 7.270 3.044 0.634 1.00 0.00 S ATOM 0 H CYS A 730 11.395 3.786 1.246 1.00 0.00 H new ATOM 0 HA CYS A 730 9.789 3.549 -1.126 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.433 2.022 0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.309 3.315 1.856 1.00 0.00 H new ATOM 0 HG CYS A 730 6.707 3.184 1.797 1.00 0.00 H new ATOM 145 N PRO A 731 8.255 5.583 -1.148 1.00 0.00 N ATOM 146 CA PRO A 731 7.563 6.858 -1.305 1.00 0.00 C ATOM 147 C PRO A 731 6.300 6.959 -0.450 1.00 0.00 C ATOM 148 O PRO A 731 5.374 7.700 -0.782 1.00 0.00 O ATOM 149 CB PRO A 731 7.197 6.891 -2.798 1.00 0.00 C ATOM 150 CG PRO A 731 7.550 5.542 -3.356 1.00 0.00 C ATOM 151 CD PRO A 731 7.850 4.639 -2.191 1.00 0.00 C ATOM 0 HA PRO A 731 8.188 7.691 -0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.136 7.100 -2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 731 7.745 7.679 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 731 6.726 5.144 -3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 731 8.413 5.614 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 731 6.977 4.058 -1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.643 3.928 -2.424 1.00 0.00 H new ATOM 159 N LEU A 732 6.264 6.212 0.649 1.00 0.00 N ATOM 160 CA LEU A 732 5.110 6.221 1.543 1.00 0.00 C ATOM 161 C LEU A 732 5.536 6.336 3.007 1.00 0.00 C ATOM 162 O LEU A 732 4.691 6.396 3.902 1.00 0.00 O ATOM 163 CB LEU A 732 4.287 4.949 1.348 1.00 0.00 C ATOM 164 CG LEU A 732 3.537 4.863 0.017 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.660 3.470 -0.579 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.074 5.235 0.207 1.00 0.00 C ATOM 0 H LEU A 732 7.020 5.593 0.942 1.00 0.00 H new ATOM 0 HA LEU A 732 4.505 7.093 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 732 4.951 4.088 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.565 4.873 2.161 1.00 0.00 H new ATOM 0 HG LEU A 732 3.987 5.572 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.120 3.430 -1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.711 3.240 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.237 2.740 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.555 5.169 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.614 4.549 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.004 6.254 0.588 1.00 0.00 H new ATOM 178 N CYS A 733 6.843 6.361 3.250 1.00 0.00 N ATOM 179 CA CYS A 733 7.365 6.459 4.607 1.00 0.00 C ATOM 180 C CYS A 733 8.731 7.141 4.613 1.00 0.00 C ATOM 181 O CYS A 733 9.176 7.668 3.594 1.00 0.00 O ATOM 182 CB CYS A 733 7.473 5.066 5.225 1.00 0.00 C ATOM 183 SG CYS A 733 8.575 3.953 4.322 1.00 0.00 S ATOM 0 H CYS A 733 7.559 6.315 2.525 1.00 0.00 H new ATOM 0 HA CYS A 733 6.677 7.062 5.199 1.00 0.00 H new ATOM 0 HB2 CYS A 733 7.828 5.160 6.251 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.479 4.621 5.271 1.00 0.00 H new ATOM 0 HG CYS A 733 9.126 3.119 5.153 1.00 0.00 H new ATOM 188 N GLU A 734 9.391 7.124 5.766 1.00 0.00 N ATOM 189 CA GLU A 734 10.707 7.737 5.903 1.00 0.00 C ATOM 190 C GLU A 734 11.742 6.705 6.346 1.00 0.00 C ATOM 191 O GLU A 734 12.600 6.990 7.180 1.00 0.00 O ATOM 192 CB GLU A 734 10.652 8.889 6.909 1.00 0.00 C ATOM 193 CG GLU A 734 11.425 10.121 6.466 1.00 0.00 C ATOM 194 CD GLU A 734 10.564 11.368 6.423 1.00 0.00 C ATOM 195 OE1 GLU A 734 9.387 11.262 6.018 1.00 0.00 O ATOM 196 OE2 GLU A 734 11.066 12.449 6.794 1.00 0.00 O ATOM 0 H GLU A 734 9.036 6.692 6.619 1.00 0.00 H new ATOM 0 HA GLU A 734 11.004 8.128 4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 734 9.611 9.164 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 734 11.049 8.545 7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 734 12.261 10.285 7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 734 11.849 9.943 5.478 1.00 0.00 H new ATOM 203 N LEU A 735 11.652 5.505 5.780 1.00 0.00 N ATOM 204 CA LEU A 735 12.578 4.430 6.117 1.00 0.00 C ATOM 205 C LEU A 735 13.554 4.170 4.974 1.00 0.00 C ATOM 206 O LEU A 735 13.214 4.340 3.803 1.00 0.00 O ATOM 207 CB LEU A 735 11.807 3.149 6.445 1.00 0.00 C ATOM 208 CG LEU A 735 12.290 2.404 7.691 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.189 3.296 8.918 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.487 1.127 7.890 1.00 0.00 C ATOM 0 H LEU A 735 10.948 5.253 5.087 1.00 0.00 H new ATOM 0 HA LEU A 735 13.148 4.739 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 735 10.754 3.400 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 735 11.871 2.476 5.590 1.00 0.00 H new ATOM 0 HG LEU A 735 13.337 2.134 7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.537 2.750 9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.806 4.183 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.151 3.596 9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 735 11.843 0.609 8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.433 1.375 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 735 11.610 0.481 7.021 1.00 0.00 H new ATOM 222 N MET A 736 14.766 3.751 5.323 1.00 0.00 N ATOM 223 CA MET A 736 15.792 3.461 4.328 1.00 0.00 C ATOM 224 C MET A 736 16.106 1.969 4.301 1.00 0.00 C ATOM 225 O MET A 736 16.302 1.348 5.345 1.00 0.00 O ATOM 226 CB MET A 736 17.064 4.258 4.625 1.00 0.00 C ATOM 227 CG MET A 736 16.801 5.714 4.980 1.00 0.00 C ATOM 228 SD MET A 736 17.873 6.855 4.085 1.00 0.00 S ATOM 229 CE MET A 736 19.489 6.270 4.592 1.00 0.00 C ATOM 0 H MET A 736 15.062 3.605 6.288 1.00 0.00 H new ATOM 0 HA MET A 736 15.412 3.756 3.350 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.597 3.782 5.448 1.00 0.00 H new ATOM 0 HB3 MET A 736 17.720 4.217 3.755 1.00 0.00 H new ATOM 0 HG2 MET A 736 15.760 5.954 4.763 1.00 0.00 H new ATOM 0 HG3 MET A 736 16.943 5.854 6.052 1.00 0.00 H new ATOM 0 HE1 MET A 736 20.017 7.067 5.116 1.00 0.00 H new ATOM 0 HE2 MET A 736 19.374 5.413 5.256 1.00 0.00 H new ATOM 0 HE3 MET A 736 20.061 5.973 3.713 1.00 0.00 H new ATOM 239 N PHE A 737 16.144 1.397 3.101 1.00 0.00 N ATOM 240 CA PHE A 737 16.428 -0.025 2.946 1.00 0.00 C ATOM 241 C PHE A 737 17.831 -0.249 2.381 1.00 0.00 C ATOM 242 O PHE A 737 18.312 0.536 1.563 1.00 0.00 O ATOM 243 CB PHE A 737 15.383 -0.675 2.035 1.00 0.00 C ATOM 244 CG PHE A 737 14.001 -0.697 2.628 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.813 -0.956 3.977 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.889 -0.460 1.835 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.545 -0.976 4.523 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.617 -0.480 2.376 1.00 0.00 C ATOM 249 CZ PHE A 737 11.446 -0.739 3.722 1.00 0.00 C ATOM 0 H PHE A 737 15.982 1.894 2.225 1.00 0.00 H new ATOM 0 HA PHE A 737 16.382 -0.489 3.931 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.355 -0.138 1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.691 -1.697 1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.669 -1.144 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 737 13.018 -0.257 0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.413 -1.177 5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.759 -0.294 1.748 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.453 -0.756 4.147 1.00 0.00 H new ATOM 259 N PRO A 738 18.508 -1.327 2.818 1.00 0.00 N ATOM 260 CA PRO A 738 19.863 -1.651 2.357 1.00 0.00 C ATOM 261 C PRO A 738 19.900 -2.050 0.883 1.00 0.00 C ATOM 262 O PRO A 738 18.898 -2.499 0.327 1.00 0.00 O ATOM 263 CB PRO A 738 20.270 -2.835 3.239 1.00 0.00 C ATOM 264 CG PRO A 738 18.983 -3.447 3.671 1.00 0.00 C ATOM 265 CD PRO A 738 18.006 -2.312 3.794 1.00 0.00 C ATOM 0 HA PRO A 738 20.531 -0.793 2.436 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.881 -3.548 2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.859 -2.506 4.095 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.637 -4.182 2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.098 -3.968 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 738 16.990 -2.629 3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 738 17.988 -1.904 4.805 1.00 0.00 H new ATOM 273 N PRO A 739 21.066 -1.891 0.231 1.00 0.00 N ATOM 274 CA PRO A 739 21.234 -2.239 -1.185 1.00 0.00 C ATOM 275 C PRO A 739 20.951 -3.713 -1.456 1.00 0.00 C ATOM 276 O PRO A 739 20.614 -4.093 -2.578 1.00 0.00 O ATOM 277 CB PRO A 739 22.708 -1.914 -1.470 1.00 0.00 C ATOM 278 CG PRO A 739 23.361 -1.857 -0.131 1.00 0.00 C ATOM 279 CD PRO A 739 22.308 -1.367 0.820 1.00 0.00 C ATOM 0 HA PRO A 739 20.537 -1.692 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 739 23.165 -2.678 -2.099 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.807 -0.965 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.729 -2.839 0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.219 -1.185 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.468 -1.745 1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.297 -0.279 0.885 1.00 0.00 H new ATOM 287 N ASN A 740 21.088 -4.539 -0.424 1.00 0.00 N ATOM 288 CA ASN A 740 20.843 -5.971 -0.553 1.00 0.00 C ATOM 289 C ASN A 740 19.389 -6.313 -0.227 1.00 0.00 C ATOM 290 O ASN A 740 19.045 -7.482 -0.046 1.00 0.00 O ATOM 291 CB ASN A 740 21.785 -6.755 0.365 1.00 0.00 C ATOM 292 CG ASN A 740 22.616 -7.773 -0.390 1.00 0.00 C ATOM 293 OD1 ASN A 740 22.365 -8.050 -1.563 1.00 0.00 O ATOM 294 ND2 ASN A 740 23.611 -8.340 0.282 1.00 0.00 N ATOM 0 H ASN A 740 21.367 -4.241 0.511 1.00 0.00 H new ATOM 0 HA ASN A 740 21.036 -6.254 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.448 -6.059 0.880 1.00 0.00 H new ATOM 0 HB3 ASN A 740 21.200 -7.264 1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 740 24.203 -9.035 -0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 740 23.784 -8.080 1.253 1.00 0.00 H new ATOM 301 N TYR A 741 18.540 -5.291 -0.151 1.00 0.00 N ATOM 302 CA TYR A 741 17.129 -5.489 0.154 1.00 0.00 C ATOM 303 C TYR A 741 16.384 -6.044 -1.055 1.00 0.00 C ATOM 304 O TYR A 741 16.521 -5.536 -2.168 1.00 0.00 O ATOM 305 CB TYR A 741 16.496 -4.169 0.599 1.00 0.00 C ATOM 306 CG TYR A 741 15.124 -4.328 1.214 1.00 0.00 C ATOM 307 CD1 TYR A 741 13.989 -4.403 0.416 1.00 0.00 C ATOM 308 CD2 TYR A 741 14.963 -4.398 2.592 1.00 0.00 C ATOM 309 CE1 TYR A 741 12.734 -4.545 0.974 1.00 0.00 C ATOM 310 CE2 TYR A 741 13.710 -4.542 3.157 1.00 0.00 C ATOM 311 CZ TYR A 741 12.600 -4.614 2.345 1.00 0.00 C ATOM 312 OH TYR A 741 11.350 -4.755 2.904 1.00 0.00 O ATOM 0 H TYR A 741 18.807 -4.317 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 741 17.054 -6.213 0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 741 17.154 -3.686 1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.424 -3.503 -0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 741 14.090 -4.349 -0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 741 15.831 -4.339 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 741 11.862 -4.602 0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 741 13.602 -4.598 4.230 1.00 0.00 H new ATOM 0 HH TYR A 741 11.430 -4.789 3.880 1.00 0.00 H new ATOM 322 N ASP A 742 15.593 -7.089 -0.828 1.00 0.00 N ATOM 323 CA ASP A 742 14.826 -7.711 -1.900 1.00 0.00 C ATOM 324 C ASP A 742 13.732 -6.774 -2.401 1.00 0.00 C ATOM 325 O ASP A 742 12.970 -6.216 -1.612 1.00 0.00 O ATOM 326 CB ASP A 742 14.207 -9.024 -1.416 1.00 0.00 C ATOM 327 CG ASP A 742 14.234 -10.103 -2.479 1.00 0.00 C ATOM 328 OD1 ASP A 742 13.761 -9.840 -3.605 1.00 0.00 O ATOM 329 OD2 ASP A 742 14.729 -11.212 -2.188 1.00 0.00 O ATOM 0 H ASP A 742 15.467 -7.521 0.087 1.00 0.00 H new ATOM 0 HA ASP A 742 15.506 -7.920 -2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.745 -9.373 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 742 13.176 -8.845 -1.110 1.00 0.00 H new ATOM 334 N GLN A 743 13.662 -6.604 -3.718 1.00 0.00 N ATOM 335 CA GLN A 743 12.662 -5.733 -4.322 1.00 0.00 C ATOM 336 C GLN A 743 11.254 -6.216 -4.003 1.00 0.00 C ATOM 337 O GLN A 743 10.365 -5.418 -3.707 1.00 0.00 O ATOM 338 CB GLN A 743 12.860 -5.667 -5.836 1.00 0.00 C ATOM 339 CG GLN A 743 12.478 -4.326 -6.442 1.00 0.00 C ATOM 340 CD GLN A 743 11.253 -4.414 -7.331 1.00 0.00 C ATOM 341 OE1 GLN A 743 11.006 -5.438 -7.968 1.00 0.00 O ATOM 342 NE2 GLN A 743 10.478 -3.336 -7.380 1.00 0.00 N ATOM 0 H GLN A 743 14.285 -7.058 -4.386 1.00 0.00 H new ATOM 0 HA GLN A 743 12.787 -4.735 -3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 743 13.905 -5.876 -6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 743 12.266 -6.451 -6.306 1.00 0.00 H new ATOM 0 HG2 GLN A 743 12.290 -3.610 -5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 743 13.317 -3.942 -7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 743 10.720 -2.508 -6.835 1.00 0.00 H new ATOM 0 HE22 GLN A 743 9.641 -3.336 -7.962 1.00 0.00 H new ATOM 351 N SER A 744 11.057 -7.529 -4.057 1.00 0.00 N ATOM 352 CA SER A 744 9.754 -8.119 -3.764 1.00 0.00 C ATOM 353 C SER A 744 9.266 -7.667 -2.393 1.00 0.00 C ATOM 354 O SER A 744 8.103 -7.295 -2.223 1.00 0.00 O ATOM 355 CB SER A 744 9.835 -9.645 -3.815 1.00 0.00 C ATOM 356 OG SER A 744 11.106 -10.103 -3.387 1.00 0.00 O ATOM 0 H SER A 744 11.781 -8.205 -4.300 1.00 0.00 H new ATOM 0 HA SER A 744 9.044 -7.782 -4.520 1.00 0.00 H new ATOM 0 HB2 SER A 744 9.058 -10.075 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 744 9.645 -9.989 -4.832 1.00 0.00 H new ATOM 0 HG SER A 744 11.132 -11.082 -3.428 1.00 0.00 H new ATOM 362 N LYS A 745 10.172 -7.681 -1.423 1.00 0.00 N ATOM 363 CA LYS A 745 9.845 -7.252 -0.072 1.00 0.00 C ATOM 364 C LYS A 745 9.508 -5.770 -0.082 1.00 0.00 C ATOM 365 O LYS A 745 8.637 -5.309 0.655 1.00 0.00 O ATOM 366 CB LYS A 745 11.013 -7.524 0.877 1.00 0.00 C ATOM 367 CG LYS A 745 11.250 -9.002 1.144 1.00 0.00 C ATOM 368 CD LYS A 745 12.615 -9.243 1.769 1.00 0.00 C ATOM 369 CE LYS A 745 12.637 -8.832 3.233 1.00 0.00 C ATOM 370 NZ LYS A 745 13.713 -9.529 3.993 1.00 0.00 N ATOM 0 H LYS A 745 11.138 -7.985 -1.548 1.00 0.00 H new ATOM 0 HA LYS A 745 8.983 -7.817 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.920 -7.089 0.457 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.826 -7.018 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.473 -9.382 1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 745 11.173 -9.559 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 745 12.875 -10.298 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 745 13.372 -8.682 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 745 12.783 -7.754 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 745 11.671 -9.054 3.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 13.693 -9.220 4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 13.561 -10.557 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 14.638 -9.297 3.577 1.00 0.00 H new ATOM 384 N PHE A 746 10.206 -5.032 -0.939 1.00 0.00 N ATOM 385 CA PHE A 746 9.987 -3.602 -1.071 1.00 0.00 C ATOM 386 C PHE A 746 8.609 -3.342 -1.661 1.00 0.00 C ATOM 387 O PHE A 746 7.897 -2.440 -1.227 1.00 0.00 O ATOM 388 CB PHE A 746 11.069 -2.980 -1.954 1.00 0.00 C ATOM 389 CG PHE A 746 10.995 -1.482 -2.031 1.00 0.00 C ATOM 390 CD1 PHE A 746 11.095 -0.710 -0.884 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.825 -0.845 -3.250 1.00 0.00 C ATOM 392 CE1 PHE A 746 11.029 0.668 -0.951 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.757 0.535 -3.323 1.00 0.00 C ATOM 394 CZ PHE A 746 10.860 1.292 -2.172 1.00 0.00 C ATOM 0 H PHE A 746 10.930 -5.405 -1.553 1.00 0.00 H new ATOM 0 HA PHE A 746 10.040 -3.143 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 746 12.048 -3.268 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.986 -3.392 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.226 -1.192 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.745 -1.432 -4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.109 1.257 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.624 1.020 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.809 2.369 -2.227 1.00 0.00 H new ATOM 404 N GLU A 747 8.232 -4.156 -2.642 1.00 0.00 N ATOM 405 CA GLU A 747 6.927 -4.030 -3.275 1.00 0.00 C ATOM 406 C GLU A 747 5.831 -4.253 -2.243 1.00 0.00 C ATOM 407 O GLU A 747 4.809 -3.567 -2.241 1.00 0.00 O ATOM 408 CB GLU A 747 6.786 -5.035 -4.420 1.00 0.00 C ATOM 409 CG GLU A 747 7.250 -4.497 -5.763 1.00 0.00 C ATOM 410 CD GLU A 747 7.469 -5.594 -6.786 1.00 0.00 C ATOM 411 OE1 GLU A 747 6.535 -6.393 -7.009 1.00 0.00 O ATOM 412 OE2 GLU A 747 8.575 -5.655 -7.364 1.00 0.00 O ATOM 0 H GLU A 747 8.812 -4.908 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 747 6.832 -3.025 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 747 7.359 -5.930 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.742 -5.337 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.510 -3.793 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 747 8.178 -3.942 -5.627 1.00 0.00 H new ATOM 419 N GLU A 748 6.064 -5.218 -1.359 1.00 0.00 N ATOM 420 CA GLU A 748 5.112 -5.540 -0.304 1.00 0.00 C ATOM 421 C GLU A 748 5.059 -4.423 0.730 1.00 0.00 C ATOM 422 O GLU A 748 3.986 -4.049 1.204 1.00 0.00 O ATOM 423 CB GLU A 748 5.497 -6.855 0.372 1.00 0.00 C ATOM 424 CG GLU A 748 4.866 -8.079 -0.269 1.00 0.00 C ATOM 425 CD GLU A 748 4.803 -9.264 0.675 1.00 0.00 C ATOM 426 OE1 GLU A 748 5.793 -9.499 1.400 1.00 0.00 O ATOM 427 OE2 GLU A 748 3.764 -9.959 0.687 1.00 0.00 O ATOM 0 H GLU A 748 6.907 -5.792 -1.353 1.00 0.00 H new ATOM 0 HA GLU A 748 4.125 -5.646 -0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.582 -6.962 0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 748 5.204 -6.813 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 748 3.858 -7.831 -0.603 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.437 -8.355 -1.156 1.00 0.00 H new ATOM 434 N HIS A 749 6.227 -3.889 1.068 1.00 0.00 N ATOM 435 CA HIS A 749 6.322 -2.806 2.038 1.00 0.00 C ATOM 436 C HIS A 749 5.620 -1.570 1.498 1.00 0.00 C ATOM 437 O HIS A 749 4.784 -0.968 2.173 1.00 0.00 O ATOM 438 CB HIS A 749 7.797 -2.515 2.347 1.00 0.00 C ATOM 439 CG HIS A 749 8.077 -1.106 2.772 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.139 -0.698 4.085 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.332 -0.002 2.025 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.425 0.610 4.095 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.552 1.080 2.870 1.00 0.00 N ATOM 0 H HIS A 749 7.123 -4.190 0.683 1.00 0.00 H new ATOM 0 HA HIS A 749 5.831 -3.099 2.966 1.00 0.00 H new ATOM 0 HB2 HIS A 749 8.130 -3.191 3.134 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.392 -2.739 1.461 1.00 0.00 H new ATOM 0 HD1 HIS A 749 7.993 -1.287 4.905 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.360 0.031 0.946 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.537 1.203 4.991 1.00 0.00 H new ATOM 451 N VAL A 750 5.952 -1.212 0.266 1.00 0.00 N ATOM 452 CA VAL A 750 5.341 -0.064 -0.384 1.00 0.00 C ATOM 453 C VAL A 750 3.828 -0.248 -0.456 1.00 0.00 C ATOM 454 O VAL A 750 3.064 0.695 -0.255 1.00 0.00 O ATOM 455 CB VAL A 750 5.899 0.130 -1.806 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.209 1.292 -2.509 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.404 0.345 -1.762 1.00 0.00 C ATOM 0 H VAL A 750 6.642 -1.701 -0.303 1.00 0.00 H new ATOM 0 HA VAL A 750 5.577 0.821 0.207 1.00 0.00 H new ATOM 0 HB VAL A 750 5.696 -0.776 -2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.622 1.408 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.140 1.093 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.371 2.209 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.782 0.480 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.628 1.232 -1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.883 -0.523 -1.309 1.00 0.00 H new ATOM 467 N GLU A 751 3.407 -1.479 -0.734 1.00 0.00 N ATOM 468 CA GLU A 751 1.989 -1.803 -0.822 1.00 0.00 C ATOM 469 C GLU A 751 1.344 -1.780 0.560 1.00 0.00 C ATOM 470 O GLU A 751 0.151 -1.518 0.696 1.00 0.00 O ATOM 471 CB GLU A 751 1.798 -3.178 -1.462 1.00 0.00 C ATOM 472 CG GLU A 751 2.162 -3.222 -2.936 1.00 0.00 C ATOM 473 CD GLU A 751 2.550 -4.612 -3.401 1.00 0.00 C ATOM 474 OE1 GLU A 751 1.869 -5.582 -3.003 1.00 0.00 O ATOM 475 OE2 GLU A 751 3.533 -4.731 -4.161 1.00 0.00 O ATOM 0 H GLU A 751 4.030 -2.269 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 751 1.506 -1.050 -1.445 1.00 0.00 H new ATOM 0 HB2 GLU A 751 2.406 -3.906 -0.925 1.00 0.00 H new ATOM 0 HB3 GLU A 751 0.758 -3.482 -1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 751 1.316 -2.869 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.989 -2.537 -3.123 1.00 0.00 H new ATOM 482 N SER A 752 2.145 -2.054 1.587 1.00 0.00 N ATOM 483 CA SER A 752 1.649 -2.060 2.958 1.00 0.00 C ATOM 484 C SER A 752 1.025 -0.713 3.306 1.00 0.00 C ATOM 485 O SER A 752 0.003 -0.647 3.990 1.00 0.00 O ATOM 486 CB SER A 752 2.783 -2.380 3.933 1.00 0.00 C ATOM 487 OG SER A 752 2.286 -2.575 5.246 1.00 0.00 O ATOM 0 H SER A 752 3.137 -2.274 1.495 1.00 0.00 H new ATOM 0 HA SER A 752 0.884 -2.832 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.309 -3.276 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 752 3.508 -1.566 3.932 1.00 0.00 H new ATOM 0 HG SER A 752 3.030 -2.780 5.850 1.00 0.00 H new ATOM 493 N HIS A 753 1.646 0.360 2.826 1.00 0.00 N ATOM 494 CA HIS A 753 1.149 1.708 3.083 1.00 0.00 C ATOM 495 C HIS A 753 -0.104 1.999 2.261 1.00 0.00 C ATOM 496 O HIS A 753 -0.913 2.853 2.626 1.00 0.00 O ATOM 497 CB HIS A 753 2.221 2.749 2.755 1.00 0.00 C ATOM 498 CG HIS A 753 3.566 2.435 3.328 1.00 0.00 C ATOM 499 ND1 HIS A 753 3.931 2.716 4.625 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.648 1.856 2.750 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.197 2.312 4.792 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.678 1.781 3.684 1.00 0.00 N ATOM 0 H HIS A 753 2.492 0.323 2.258 1.00 0.00 H new ATOM 0 HA HIS A 753 0.898 1.768 4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.310 2.836 1.672 1.00 0.00 H new ATOM 0 HB3 HIS A 753 1.896 3.721 3.127 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.342 3.154 5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.702 1.509 1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.752 2.408 5.714 1.00 0.00 H new ATOM 510 N TRP A 754 -0.258 1.290 1.145 1.00 0.00 N ATOM 511 CA TRP A 754 -1.410 1.482 0.273 1.00 0.00 C ATOM 512 C TRP A 754 -2.703 1.078 0.972 1.00 0.00 C ATOM 513 O TRP A 754 -2.694 0.269 1.898 1.00 0.00 O ATOM 514 CB TRP A 754 -1.248 0.668 -1.013 1.00 0.00 C ATOM 515 CG TRP A 754 -0.306 1.286 -1.998 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.790 2.047 -1.718 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.378 1.193 -3.424 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.402 2.437 -2.885 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.703 1.926 -3.946 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.254 0.562 -4.309 1.00 0.00 C ATOM 521 CZ2 TRP A 754 0.932 2.043 -5.314 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -1.028 0.679 -5.667 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.058 1.413 -6.159 1.00 0.00 C ATOM 0 H TRP A 754 0.400 0.579 0.825 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.465 2.542 0.026 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.891 -0.330 -0.759 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.224 0.548 -1.483 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.128 2.305 -0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.241 3.014 -2.950 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.094 -0.008 -3.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.769 2.610 -5.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.700 0.196 -6.361 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.209 1.484 -7.226 1.00 0.00 H new ATOM 534 N LYS A 755 -3.814 1.639 0.507 1.00 0.00 N ATOM 535 CA LYS A 755 -5.122 1.325 1.074 1.00 0.00 C ATOM 536 C LYS A 755 -5.660 0.051 0.444 1.00 0.00 C ATOM 537 O LYS A 755 -5.932 0.014 -0.750 1.00 0.00 O ATOM 538 CB LYS A 755 -6.093 2.483 0.834 1.00 0.00 C ATOM 539 CG LYS A 755 -6.069 3.537 1.930 1.00 0.00 C ATOM 540 CD LYS A 755 -5.978 4.941 1.353 1.00 0.00 C ATOM 541 CE LYS A 755 -6.527 5.978 2.319 1.00 0.00 C ATOM 542 NZ LYS A 755 -5.709 7.221 2.323 1.00 0.00 N ATOM 0 H LYS A 755 -3.836 2.312 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 755 -5.018 1.175 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.853 2.956 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.104 2.086 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.969 3.451 2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.220 3.358 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -4.939 5.173 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.532 4.987 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.554 6.220 2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -6.555 5.558 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -6.117 7.903 2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -4.735 6.995 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -5.703 7.636 1.369 1.00 0.00 H new ATOM 556 N VAL A 756 -5.793 -1.003 1.241 1.00 0.00 N ATOM 557 CA VAL A 756 -6.277 -2.276 0.722 1.00 0.00 C ATOM 558 C VAL A 756 -7.549 -2.740 1.416 1.00 0.00 C ATOM 559 O VAL A 756 -7.659 -2.703 2.641 1.00 0.00 O ATOM 560 CB VAL A 756 -5.205 -3.374 0.854 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.673 -4.671 0.209 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.902 -2.906 0.234 1.00 0.00 C ATOM 0 H VAL A 756 -5.575 -1.002 2.238 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.502 -2.107 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 756 -5.038 -3.569 1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.898 -5.430 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.585 -5.012 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.871 -4.500 -0.849 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -3.150 -3.689 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -4.060 -2.685 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.558 -2.007 0.745 1.00 0.00 H new ATOM 572 N CYS A 757 -8.500 -3.196 0.609 1.00 0.00 N ATOM 573 CA CYS A 757 -9.769 -3.697 1.116 1.00 0.00 C ATOM 574 C CYS A 757 -9.602 -5.131 1.621 1.00 0.00 C ATOM 575 O CYS A 757 -9.036 -5.975 0.927 1.00 0.00 O ATOM 576 CB CYS A 757 -10.832 -3.641 0.018 1.00 0.00 C ATOM 577 SG CYS A 757 -12.490 -4.114 0.564 1.00 0.00 S ATOM 0 H CYS A 757 -8.413 -3.228 -0.407 1.00 0.00 H new ATOM 0 HA CYS A 757 -10.092 -3.069 1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.869 -2.629 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.530 -4.297 -0.798 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.897 -5.140 -0.123 1.00 0.00 H new ATOM 582 N PRO A 758 -10.073 -5.424 2.846 1.00 0.00 N ATOM 583 CA PRO A 758 -9.949 -6.753 3.441 1.00 0.00 C ATOM 584 C PRO A 758 -11.102 -7.691 3.088 1.00 0.00 C ATOM 585 O PRO A 758 -11.058 -8.879 3.406 1.00 0.00 O ATOM 586 CB PRO A 758 -9.959 -6.440 4.932 1.00 0.00 C ATOM 587 CG PRO A 758 -10.851 -5.249 5.059 1.00 0.00 C ATOM 588 CD PRO A 758 -10.744 -4.481 3.762 1.00 0.00 C ATOM 0 HA PRO A 758 -9.063 -7.278 3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -10.337 -7.282 5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.955 -6.225 5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.881 -5.555 5.243 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.548 -4.628 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.726 -4.190 3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -10.166 -3.565 3.886 1.00 0.00 H new ATOM 596 N MET A 759 -12.138 -7.160 2.444 1.00 0.00 N ATOM 597 CA MET A 759 -13.291 -7.976 2.078 1.00 0.00 C ATOM 598 C MET A 759 -13.094 -8.658 0.725 1.00 0.00 C ATOM 599 O MET A 759 -13.667 -9.716 0.469 1.00 0.00 O ATOM 600 CB MET A 759 -14.556 -7.120 2.060 1.00 0.00 C ATOM 601 CG MET A 759 -14.959 -6.614 3.436 1.00 0.00 C ATOM 602 SD MET A 759 -15.221 -7.949 4.619 1.00 0.00 S ATOM 603 CE MET A 759 -14.978 -7.081 6.166 1.00 0.00 C ATOM 0 H MET A 759 -12.203 -6.180 2.168 1.00 0.00 H new ATOM 0 HA MET A 759 -13.397 -8.759 2.829 1.00 0.00 H new ATOM 0 HB2 MET A 759 -14.400 -6.268 1.398 1.00 0.00 H new ATOM 0 HB3 MET A 759 -15.375 -7.704 1.641 1.00 0.00 H new ATOM 0 HG2 MET A 759 -14.185 -5.946 3.814 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.873 -6.026 3.349 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.702 -7.793 6.943 1.00 0.00 H new ATOM 0 HE2 MET A 759 -14.183 -6.345 6.049 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.902 -6.576 6.449 1.00 0.00 H new ATOM 613 N CYS A 760 -12.282 -8.054 -0.136 1.00 0.00 N ATOM 614 CA CYS A 760 -12.019 -8.626 -1.457 1.00 0.00 C ATOM 615 C CYS A 760 -10.520 -8.695 -1.756 1.00 0.00 C ATOM 616 O CYS A 760 -10.084 -9.513 -2.566 1.00 0.00 O ATOM 617 CB CYS A 760 -12.734 -7.818 -2.540 1.00 0.00 C ATOM 618 SG CYS A 760 -12.036 -6.176 -2.817 1.00 0.00 S ATOM 0 H CYS A 760 -11.797 -7.176 0.052 1.00 0.00 H new ATOM 0 HA CYS A 760 -12.406 -9.645 -1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -12.703 -8.377 -3.475 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -13.784 -7.713 -2.266 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.867 -5.273 -2.387 1.00 0.00 H new ATOM 623 N SER A 761 -9.738 -7.834 -1.097 1.00 0.00 N ATOM 624 CA SER A 761 -8.284 -7.789 -1.280 1.00 0.00 C ATOM 625 C SER A 761 -7.889 -6.881 -2.446 1.00 0.00 C ATOM 626 O SER A 761 -6.993 -7.208 -3.225 1.00 0.00 O ATOM 627 CB SER A 761 -7.706 -9.197 -1.485 1.00 0.00 C ATOM 628 OG SER A 761 -7.652 -9.540 -2.860 1.00 0.00 O ATOM 0 H SER A 761 -10.092 -7.153 -0.426 1.00 0.00 H new ATOM 0 HA SER A 761 -7.861 -7.370 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 761 -6.705 -9.247 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 761 -8.318 -9.924 -0.951 1.00 0.00 H new ATOM 0 HG SER A 761 -8.562 -9.661 -3.203 1.00 0.00 H new ATOM 634 N GLU A 762 -8.548 -5.730 -2.547 1.00 0.00 N ATOM 635 CA GLU A 762 -8.248 -4.766 -3.605 1.00 0.00 C ATOM 636 C GLU A 762 -7.188 -3.785 -3.133 1.00 0.00 C ATOM 637 O GLU A 762 -7.166 -3.406 -1.964 1.00 0.00 O ATOM 638 CB GLU A 762 -9.512 -4.004 -4.013 1.00 0.00 C ATOM 639 CG GLU A 762 -9.929 -4.242 -5.455 1.00 0.00 C ATOM 640 CD GLU A 762 -9.652 -3.046 -6.346 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.484 -2.607 -6.404 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.603 -2.549 -6.984 1.00 0.00 O ATOM 0 H GLU A 762 -9.292 -5.441 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.873 -5.312 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -10.330 -4.296 -3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -9.347 -2.937 -3.863 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -9.399 -5.111 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.993 -4.477 -5.488 1.00 0.00 H new ATOM 649 N GLN A 763 -6.310 -3.367 -4.040 1.00 0.00 N ATOM 650 CA GLN A 763 -5.267 -2.423 -3.673 1.00 0.00 C ATOM 651 C GLN A 763 -5.575 -1.037 -4.223 1.00 0.00 C ATOM 652 O GLN A 763 -5.888 -0.871 -5.401 1.00 0.00 O ATOM 653 CB GLN A 763 -3.911 -2.902 -4.199 1.00 0.00 C ATOM 654 CG GLN A 763 -3.039 -3.547 -3.134 1.00 0.00 C ATOM 655 CD GLN A 763 -1.570 -3.210 -3.300 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.783 -4.029 -3.775 1.00 0.00 O ATOM 657 NE2 GLN A 763 -1.192 -1.998 -2.908 1.00 0.00 N ATOM 0 H GLN A 763 -6.301 -3.662 -5.016 1.00 0.00 H new ATOM 0 HA GLN A 763 -5.228 -2.364 -2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -4.075 -3.618 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.378 -2.054 -4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -3.374 -3.221 -2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -3.166 -4.629 -3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.878 -1.351 -2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 763 -0.216 -1.715 -2.995 1.00 0.00 H new ATOM 666 N PHE A 764 -5.472 -0.048 -3.348 1.00 0.00 N ATOM 667 CA PHE A 764 -5.721 1.341 -3.710 1.00 0.00 C ATOM 668 C PHE A 764 -4.470 2.192 -3.492 1.00 0.00 C ATOM 669 O PHE A 764 -3.977 2.294 -2.365 1.00 0.00 O ATOM 670 CB PHE A 764 -6.886 1.900 -2.890 1.00 0.00 C ATOM 671 CG PHE A 764 -8.182 1.173 -3.121 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.512 0.058 -2.365 1.00 0.00 C ATOM 673 CD2 PHE A 764 -9.069 1.603 -4.093 1.00 0.00 C ATOM 674 CE1 PHE A 764 -9.700 -0.612 -2.574 1.00 0.00 C ATOM 675 CE2 PHE A 764 -10.261 0.935 -4.308 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.576 -0.174 -3.546 1.00 0.00 C ATOM 0 H PHE A 764 -5.215 -0.184 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.981 1.377 -4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.633 1.849 -1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.020 2.954 -3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -7.830 -0.290 -1.603 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -8.828 2.470 -4.690 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -9.944 -1.479 -1.977 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -10.944 1.280 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.506 -0.697 -3.711 1.00 0.00 H new ATOM 686 N PRO A 765 -3.937 2.823 -4.551 1.00 0.00 N ATOM 687 CA PRO A 765 -2.742 3.666 -4.438 1.00 0.00 C ATOM 688 C PRO A 765 -2.948 4.811 -3.449 1.00 0.00 C ATOM 689 O PRO A 765 -4.081 5.196 -3.161 1.00 0.00 O ATOM 690 CB PRO A 765 -2.546 4.214 -5.855 1.00 0.00 C ATOM 691 CG PRO A 765 -3.274 3.263 -6.738 1.00 0.00 C ATOM 692 CD PRO A 765 -4.444 2.772 -5.934 1.00 0.00 C ATOM 0 HA PRO A 765 -1.882 3.108 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -2.946 5.224 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.489 4.265 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.607 3.755 -7.652 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.630 2.436 -7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.320 3.406 -6.067 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.736 1.762 -6.220 1.00 0.00 H new ATOM 700 N PRO A 766 -1.852 5.370 -2.911 1.00 0.00 N ATOM 701 CA PRO A 766 -1.920 6.473 -1.947 1.00 0.00 C ATOM 702 C PRO A 766 -2.574 7.718 -2.537 1.00 0.00 C ATOM 703 O PRO A 766 -3.060 8.580 -1.805 1.00 0.00 O ATOM 704 CB PRO A 766 -0.452 6.749 -1.601 1.00 0.00 C ATOM 705 CG PRO A 766 0.332 6.152 -2.719 1.00 0.00 C ATOM 706 CD PRO A 766 -0.465 4.973 -3.197 1.00 0.00 C ATOM 0 HA PRO A 766 -2.529 6.214 -1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.262 7.819 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.181 6.299 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 766 0.480 6.875 -3.522 1.00 0.00 H new ATOM 0 HG3 PRO A 766 1.321 5.844 -2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.310 4.786 -4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.190 4.060 -2.669 1.00 0.00 H new ATOM 714 N ASP A 767 -2.587 7.805 -3.864 1.00 0.00 N ATOM 715 CA ASP A 767 -3.189 8.944 -4.547 1.00 0.00 C ATOM 716 C ASP A 767 -4.704 8.777 -4.656 1.00 0.00 C ATOM 717 O ASP A 767 -5.417 9.721 -4.995 1.00 0.00 O ATOM 718 CB ASP A 767 -2.581 9.108 -5.942 1.00 0.00 C ATOM 719 CG ASP A 767 -2.396 10.563 -6.324 1.00 0.00 C ATOM 720 OD1 ASP A 767 -1.680 11.281 -5.595 1.00 0.00 O ATOM 721 OD2 ASP A 767 -2.964 10.984 -7.353 1.00 0.00 O ATOM 0 H ASP A 767 -2.188 7.102 -4.486 1.00 0.00 H new ATOM 0 HA ASP A 767 -2.982 9.839 -3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -1.617 8.601 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.224 8.622 -6.675 1.00 0.00 H new ATOM 726 N TYR A 768 -5.191 7.572 -4.363 1.00 0.00 N ATOM 727 CA TYR A 768 -6.618 7.289 -4.425 1.00 0.00 C ATOM 728 C TYR A 768 -7.367 8.036 -3.328 1.00 0.00 C ATOM 729 O TYR A 768 -6.846 8.232 -2.230 1.00 0.00 O ATOM 730 CB TYR A 768 -6.866 5.785 -4.290 1.00 0.00 C ATOM 731 CG TYR A 768 -8.004 5.278 -5.148 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.818 5.014 -6.498 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.264 5.065 -4.605 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.857 4.552 -7.284 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.308 4.602 -5.384 1.00 0.00 C ATOM 736 CZ TYR A 768 -10.098 4.347 -6.722 1.00 0.00 C ATOM 737 OH TYR A 768 -11.135 3.886 -7.501 1.00 0.00 O ATOM 0 H TYR A 768 -4.616 6.778 -4.081 1.00 0.00 H new ATOM 0 HA TYR A 768 -6.989 7.628 -5.392 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -5.955 5.250 -4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.078 5.553 -3.246 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.846 5.172 -6.941 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.431 5.264 -3.557 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.697 4.353 -8.333 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.282 4.441 -4.947 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.941 3.795 -6.952 1.00 0.00 H new ATOM 747 N ASP A 769 -8.593 8.448 -3.629 1.00 0.00 N ATOM 748 CA ASP A 769 -9.412 9.170 -2.665 1.00 0.00 C ATOM 749 C ASP A 769 -9.939 8.226 -1.591 1.00 0.00 C ATOM 750 O ASP A 769 -10.573 7.215 -1.894 1.00 0.00 O ATOM 751 CB ASP A 769 -10.579 9.862 -3.371 1.00 0.00 C ATOM 752 CG ASP A 769 -10.160 11.148 -4.056 1.00 0.00 C ATOM 753 OD1 ASP A 769 -9.335 11.080 -4.991 1.00 0.00 O ATOM 754 OD2 ASP A 769 -10.656 12.222 -3.657 1.00 0.00 O ATOM 0 H ASP A 769 -9.041 8.294 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 769 -8.789 9.926 -2.187 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -11.007 9.184 -4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.362 10.079 -2.645 1.00 0.00 H new ATOM 759 N GLN A 770 -9.673 8.561 -0.332 1.00 0.00 N ATOM 760 CA GLN A 770 -10.120 7.741 0.789 1.00 0.00 C ATOM 761 C GLN A 770 -11.632 7.541 0.747 1.00 0.00 C ATOM 762 O GLN A 770 -12.138 6.478 1.100 1.00 0.00 O ATOM 763 CB GLN A 770 -9.708 8.390 2.116 1.00 0.00 C ATOM 764 CG GLN A 770 -10.254 7.681 3.346 1.00 0.00 C ATOM 765 CD GLN A 770 -9.967 6.193 3.342 1.00 0.00 C ATOM 766 OE1 GLN A 770 -10.737 5.402 2.799 1.00 0.00 O ATOM 767 NE2 GLN A 770 -8.854 5.803 3.952 1.00 0.00 N ATOM 0 H GLN A 770 -9.150 9.394 -0.063 1.00 0.00 H new ATOM 0 HA GLN A 770 -9.644 6.764 0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -8.620 8.413 2.175 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -10.049 9.425 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -9.819 8.128 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -11.331 7.838 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -8.244 6.493 4.390 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -8.609 4.813 3.983 1.00 0.00 H new ATOM 776 N GLN A 771 -12.347 8.570 0.307 1.00 0.00 N ATOM 777 CA GLN A 771 -13.801 8.500 0.216 1.00 0.00 C ATOM 778 C GLN A 771 -14.224 7.359 -0.705 1.00 0.00 C ATOM 779 O GLN A 771 -15.115 6.576 -0.373 1.00 0.00 O ATOM 780 CB GLN A 771 -14.365 9.828 -0.296 1.00 0.00 C ATOM 781 CG GLN A 771 -15.340 10.485 0.669 1.00 0.00 C ATOM 782 CD GLN A 771 -16.733 10.623 0.087 1.00 0.00 C ATOM 783 OE1 GLN A 771 -17.541 9.696 0.154 1.00 0.00 O ATOM 784 NE2 GLN A 771 -17.022 11.785 -0.488 1.00 0.00 N ATOM 0 H GLN A 771 -11.946 9.459 0.009 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.201 8.309 1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -13.540 10.514 -0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -14.868 9.657 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -15.390 9.897 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -14.965 11.471 0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -16.322 12.526 -0.521 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -17.944 11.936 -0.897 1.00 0.00 H new ATOM 793 N VAL A 772 -13.571 7.265 -1.859 1.00 0.00 N ATOM 794 CA VAL A 772 -13.876 6.215 -2.820 1.00 0.00 C ATOM 795 C VAL A 772 -13.522 4.847 -2.252 1.00 0.00 C ATOM 796 O VAL A 772 -14.281 3.889 -2.395 1.00 0.00 O ATOM 797 CB VAL A 772 -13.117 6.421 -4.146 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.568 5.405 -5.184 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.311 7.839 -4.661 1.00 0.00 C ATOM 0 H VAL A 772 -12.829 7.902 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 772 -14.947 6.265 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.054 6.269 -3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -13.021 5.567 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.371 4.398 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.636 5.521 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.767 7.964 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.372 8.023 -4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -12.933 8.548 -3.925 1.00 0.00 H new ATOM 809 N PHE A 773 -12.367 4.765 -1.597 1.00 0.00 N ATOM 810 CA PHE A 773 -11.921 3.514 -0.999 1.00 0.00 C ATOM 811 C PHE A 773 -12.915 3.048 0.058 1.00 0.00 C ATOM 812 O PHE A 773 -13.376 1.906 0.031 1.00 0.00 O ATOM 813 CB PHE A 773 -10.534 3.680 -0.373 1.00 0.00 C ATOM 814 CG PHE A 773 -10.119 2.513 0.480 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.251 1.214 0.012 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.610 2.714 1.752 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.881 0.140 0.799 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.240 1.643 2.543 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.375 0.355 2.066 1.00 0.00 C ATOM 0 H PHE A 773 -11.726 5.548 -1.468 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.861 2.762 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -9.800 3.819 -1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.524 4.586 0.234 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.647 1.040 -0.978 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.501 3.720 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.987 -0.867 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -8.845 1.814 3.534 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.085 -0.483 2.682 1.00 0.00 H new ATOM 829 N GLU A 774 -13.244 3.941 0.988 1.00 0.00 N ATOM 830 CA GLU A 774 -14.186 3.620 2.053 1.00 0.00 C ATOM 831 C GLU A 774 -15.501 3.121 1.471 1.00 0.00 C ATOM 832 O GLU A 774 -16.090 2.163 1.974 1.00 0.00 O ATOM 833 CB GLU A 774 -14.429 4.845 2.936 1.00 0.00 C ATOM 834 CG GLU A 774 -13.531 4.898 4.162 1.00 0.00 C ATOM 835 CD GLU A 774 -13.516 6.266 4.816 1.00 0.00 C ATOM 836 OE1 GLU A 774 -13.380 7.270 4.087 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.641 6.331 6.058 1.00 0.00 O ATOM 0 H GLU A 774 -12.872 4.890 1.024 1.00 0.00 H new ATOM 0 HA GLU A 774 -13.756 2.828 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.274 5.747 2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -15.470 4.850 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -13.868 4.157 4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -12.515 4.625 3.876 1.00 0.00 H new ATOM 844 N ARG A 775 -15.951 3.763 0.397 1.00 0.00 N ATOM 845 CA ARG A 775 -17.188 3.366 -0.262 1.00 0.00 C ATOM 846 C ARG A 775 -17.069 1.940 -0.787 1.00 0.00 C ATOM 847 O ARG A 775 -18.001 1.142 -0.678 1.00 0.00 O ATOM 848 CB ARG A 775 -17.513 4.319 -1.413 1.00 0.00 C ATOM 849 CG ARG A 775 -17.983 5.691 -0.957 1.00 0.00 C ATOM 850 CD ARG A 775 -18.131 6.647 -2.129 1.00 0.00 C ATOM 851 NE ARG A 775 -19.505 6.703 -2.621 1.00 0.00 N ATOM 852 CZ ARG A 775 -19.886 7.418 -3.677 1.00 0.00 C ATOM 853 NH1 ARG A 775 -19.000 8.138 -4.354 1.00 0.00 N ATOM 854 NH2 ARG A 775 -21.156 7.413 -4.058 1.00 0.00 N ATOM 0 H ARG A 775 -15.478 4.558 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 775 -17.997 3.411 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -16.627 4.437 -2.036 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -18.285 3.870 -2.038 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -18.938 5.596 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -17.272 6.101 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -17.814 7.645 -1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -17.469 6.335 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 775 -20.214 6.162 -2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -18.022 8.145 -4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -19.298 8.684 -5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -21.841 6.861 -3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -21.448 7.961 -4.867 1.00 0.00 H new ATOM 868 N HIS A 776 -15.907 1.627 -1.355 1.00 0.00 N ATOM 869 CA HIS A 776 -15.653 0.299 -1.896 1.00 0.00 C ATOM 870 C HIS A 776 -15.635 -0.745 -0.784 1.00 0.00 C ATOM 871 O HIS A 776 -16.275 -1.789 -0.891 1.00 0.00 O ATOM 872 CB HIS A 776 -14.322 0.282 -2.656 1.00 0.00 C ATOM 873 CG HIS A 776 -13.719 -1.083 -2.792 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.861 -1.877 -3.906 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.960 -1.795 -1.918 1.00 0.00 C ATOM 876 CE1 HIS A 776 -13.200 -3.021 -3.680 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.635 -3.018 -2.491 1.00 0.00 N ATOM 0 H HIS A 776 -15.127 2.277 -1.451 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.459 0.052 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.477 0.701 -3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.613 0.932 -2.143 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -14.377 -1.638 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.658 -1.463 -0.936 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -13.139 -3.839 -4.382 1.00 0.00 H new ATOM 885 N VAL A 777 -14.900 -0.460 0.284 1.00 0.00 N ATOM 886 CA VAL A 777 -14.816 -1.387 1.405 1.00 0.00 C ATOM 887 C VAL A 777 -16.169 -1.499 2.093 1.00 0.00 C ATOM 888 O VAL A 777 -16.530 -2.555 2.616 1.00 0.00 O ATOM 889 CB VAL A 777 -13.756 -0.971 2.448 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.164 -2.201 3.117 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.658 -0.129 1.821 1.00 0.00 C ATOM 0 H VAL A 777 -14.359 0.397 0.397 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.515 -2.349 0.991 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.252 -0.361 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.418 -1.893 3.850 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.955 -2.760 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.693 -2.834 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -11.930 0.146 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.163 -0.702 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.092 0.774 1.392 1.00 0.00 H new ATOM 901 N GLN A 778 -16.918 -0.400 2.081 1.00 0.00 N ATOM 902 CA GLN A 778 -18.239 -0.364 2.693 1.00 0.00 C ATOM 903 C GLN A 778 -19.216 -1.230 1.909 1.00 0.00 C ATOM 904 O GLN A 778 -20.116 -1.844 2.483 1.00 0.00 O ATOM 905 CB GLN A 778 -18.755 1.075 2.761 1.00 0.00 C ATOM 906 CG GLN A 778 -18.267 1.839 3.981 1.00 0.00 C ATOM 907 CD GLN A 778 -18.776 1.248 5.280 1.00 0.00 C ATOM 908 OE1 GLN A 778 -19.930 0.834 5.378 1.00 0.00 O ATOM 909 NE2 GLN A 778 -17.912 1.207 6.289 1.00 0.00 N ATOM 0 H GLN A 778 -16.630 0.479 1.652 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.157 -0.759 3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.444 1.606 1.862 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -19.845 1.062 2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.177 1.843 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -18.589 2.878 3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -16.964 1.562 6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.197 0.821 7.189 1.00 0.00 H new ATOM 918 N THR A 779 -19.032 -1.278 0.592 1.00 0.00 N ATOM 919 CA THR A 779 -19.900 -2.074 -0.268 1.00 0.00 C ATOM 920 C THR A 779 -19.859 -3.546 0.132 1.00 0.00 C ATOM 921 O THR A 779 -20.809 -4.292 -0.104 1.00 0.00 O ATOM 922 CB THR A 779 -19.505 -1.902 -1.741 1.00 0.00 C ATOM 923 OG1 THR A 779 -20.619 -2.131 -2.586 1.00 0.00 O ATOM 924 CG2 THR A 779 -18.392 -2.826 -2.195 1.00 0.00 C ATOM 0 H THR A 779 -18.292 -0.777 0.100 1.00 0.00 H new ATOM 0 HA THR A 779 -20.922 -1.717 -0.143 1.00 0.00 H new ATOM 0 HB THR A 779 -19.145 -0.876 -1.815 1.00 0.00 H new ATOM 0 HG1 THR A 779 -20.349 -2.016 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 779 -18.172 -2.642 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 779 -17.498 -2.639 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 779 -18.704 -3.862 -2.066 1.00 0.00 H new ATOM 932 N HIS A 780 -18.750 -3.954 0.739 1.00 0.00 N ATOM 933 CA HIS A 780 -18.579 -5.331 1.173 1.00 0.00 C ATOM 934 C HIS A 780 -19.250 -5.568 2.522 1.00 0.00 C ATOM 935 O HIS A 780 -19.710 -6.673 2.813 1.00 0.00 O ATOM 936 CB HIS A 780 -17.092 -5.667 1.263 1.00 0.00 C ATOM 937 CG HIS A 780 -16.388 -5.610 -0.056 1.00 0.00 C ATOM 938 ND1 HIS A 780 -16.518 -6.568 -1.036 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.533 -4.678 -0.555 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.758 -6.200 -2.075 1.00 0.00 C ATOM 941 NE2 HIS A 780 -15.141 -5.060 -1.833 1.00 0.00 N ATOM 0 H HIS A 780 -17.955 -3.347 0.941 1.00 0.00 H new ATOM 0 HA HIS A 780 -19.053 -5.982 0.439 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.612 -4.973 1.953 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.978 -6.666 1.684 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -17.092 -7.409 -0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -15.210 -3.785 -0.041 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -15.663 -6.763 -2.992 1.00 0.00 H new ATOM 949 N PHE A 781 -19.303 -4.524 3.344 1.00 0.00 N ATOM 950 CA PHE A 781 -19.919 -4.620 4.662 1.00 0.00 C ATOM 951 C PHE A 781 -21.439 -4.683 4.550 1.00 0.00 C ATOM 952 O PHE A 781 -22.111 -5.252 5.410 1.00 0.00 O ATOM 953 CB PHE A 781 -19.507 -3.429 5.531 1.00 0.00 C ATOM 954 CG PHE A 781 -18.024 -3.176 5.560 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.121 -4.208 5.348 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.532 -1.902 5.798 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.759 -3.973 5.375 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.172 -1.662 5.826 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.284 -2.698 5.614 1.00 0.00 C ATOM 0 H PHE A 781 -18.927 -3.603 3.120 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.570 -5.540 5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.011 -2.534 5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.856 -3.598 6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.487 -5.207 5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.221 -1.087 5.964 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -15.067 -4.785 5.209 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -15.803 -0.664 6.014 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.220 -2.512 5.635 1.00 0.00 H new ATOM 969 N ASP A 782 -21.976 -4.092 3.487 1.00 0.00 N ATOM 970 CA ASP A 782 -23.418 -4.082 3.265 1.00 0.00 C ATOM 971 C ASP A 782 -23.859 -5.306 2.464 1.00 0.00 C ATOM 972 O ASP A 782 -25.024 -5.701 2.513 1.00 0.00 O ATOM 973 CB ASP A 782 -23.831 -2.802 2.535 1.00 0.00 C ATOM 974 CG ASP A 782 -24.999 -2.105 3.208 1.00 0.00 C ATOM 975 OD1 ASP A 782 -25.864 -2.808 3.771 1.00 0.00 O ATOM 976 OD2 ASP A 782 -25.049 -0.858 3.169 1.00 0.00 O ATOM 0 H ASP A 782 -21.435 -3.614 2.766 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.910 -4.115 4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -22.981 -2.121 2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.099 -3.044 1.506 1.00 0.00 H new