USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 755 LYS NZ :NH3+ -151:sc= 0.0718 (180deg=-0.635) USER MOD Set 1.2: A 770 GLN : amide:sc= -2.09 K(o=-2,f=-18!) USER MOD Set 2.1: A 757 CYS SG : rot -110:sc= -4.95! USER MOD Set 2.2: A 760 CYS SG : rot -110:sc= -0.811 USER MOD Set 2.3: A 776 HIS : no HE2:sc= -1.99 K(o=-11,f=-17) USER MOD Set 2.4: A 780 HIS : no HE2:sc= -3.75 K(o=-11,f=-12) USER MOD Set 3.1: A 730 CYS SG : rot -126:sc= -3.33 USER MOD Set 3.2: A 733 CYS SG : rot 20:sc= -1.37 USER MOD Set 3.3: A 749 HIS : no HE2:sc= -5.7! C(o=-14!,f=-19!) USER MOD Set 3.4: A 753 HIS : no HE2:sc= -4.09 K(o=-14,f=-19!) USER MOD Single : A 727 HIS : no HE2:sc= -5.22! K(o=-5.2!,f=-3.2) USER MOD Single : A 728 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 736 MET CE :methyl -161:sc= -0.586 (180deg=-1.22) USER MOD Single : A 740 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.0049) USER MOD Single : A 741 TYR OH : rot 165:sc= -0.557 USER MOD Single : A 743 GLN : amide:sc= -0.75 K(o=-0.75,f=-0.091) USER MOD Single : A 744 SER OG : rot 180:sc= 0 USER MOD Single : A 745 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.069) USER MOD Single : A 752 SER OG : rot 79:sc= 0.00133 USER MOD Single : A 759 MET CE :methyl -155:sc= -0.707 (180deg=-2.26!) USER MOD Single : A 761 SER OG : rot 180:sc= -0.514 USER MOD Single : A 763 GLN : amide:sc= -2.33! C(o=-2.3!,f=-2!) USER MOD Single : A 768 TYR OH : rot 180:sc= 0 USER MOD Single : A 771 GLN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 778 GLN : amide:sc= -0.962 X(o=-0.96,f=-0.8) USER MOD Single : A 779 THR OG1 : rot -42:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 73 N HIS A 727 20.677 2.188 -2.153 1.00 0.00 N ATOM 74 CA HIS A 727 19.655 2.030 -1.124 1.00 0.00 C ATOM 75 C HIS A 727 18.264 2.293 -1.690 1.00 0.00 C ATOM 76 O HIS A 727 18.097 3.102 -2.602 1.00 0.00 O ATOM 77 CB HIS A 727 19.930 2.974 0.048 1.00 0.00 C ATOM 78 CG HIS A 727 20.661 2.325 1.180 1.00 0.00 C ATOM 79 ND1 HIS A 727 21.313 3.037 2.164 1.00 0.00 N ATOM 80 CD2 HIS A 727 20.835 1.019 1.484 1.00 0.00 C ATOM 81 CE1 HIS A 727 21.859 2.195 3.024 1.00 0.00 C ATOM 82 NE2 HIS A 727 21.584 0.964 2.634 1.00 0.00 N ATOM 0 HA HIS A 727 19.692 1.000 -0.768 1.00 0.00 H new ATOM 0 HB2 HIS A 727 20.511 3.824 -0.309 1.00 0.00 H new ATOM 0 HB3 HIS A 727 18.983 3.368 0.416 1.00 0.00 H new ATOM 0 HD1 HIS A 727 21.366 4.054 2.220 1.00 0.00 H new ATOM 0 HD2 HIS A 727 20.455 0.176 0.926 1.00 0.00 H new ATOM 0 HE1 HIS A 727 22.433 2.468 3.897 1.00 0.00 H new ATOM 91 N LYS A 728 17.269 1.605 -1.141 1.00 0.00 N ATOM 92 CA LYS A 728 15.890 1.767 -1.588 1.00 0.00 C ATOM 93 C LYS A 728 15.068 2.512 -0.544 1.00 0.00 C ATOM 94 O LYS A 728 14.942 2.066 0.597 1.00 0.00 O ATOM 95 CB LYS A 728 15.259 0.402 -1.873 1.00 0.00 C ATOM 96 CG LYS A 728 15.566 -0.133 -3.262 1.00 0.00 C ATOM 97 CD LYS A 728 14.308 -0.609 -3.971 1.00 0.00 C ATOM 98 CE LYS A 728 13.761 0.454 -4.912 1.00 0.00 C ATOM 99 NZ LYS A 728 14.087 0.158 -6.334 1.00 0.00 N ATOM 0 H LYS A 728 17.391 0.930 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 728 15.897 2.353 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 728 15.612 -0.314 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 728 14.178 0.479 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 728 16.045 0.646 -3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 728 16.275 -0.957 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 728 14.528 -1.516 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 728 13.549 -0.868 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 728 12.680 0.521 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 728 14.172 1.426 -4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 728 13.697 0.906 -6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 728 15.119 0.119 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 728 13.673 -0.758 -6.602 1.00 0.00 H new ATOM 113 N LYS A 729 14.512 3.652 -0.939 1.00 0.00 N ATOM 114 CA LYS A 729 13.703 4.462 -0.035 1.00 0.00 C ATOM 115 C LYS A 729 12.247 4.493 -0.489 1.00 0.00 C ATOM 116 O LYS A 729 11.946 4.876 -1.620 1.00 0.00 O ATOM 117 CB LYS A 729 14.257 5.884 0.042 1.00 0.00 C ATOM 118 CG LYS A 729 13.819 6.641 1.286 1.00 0.00 C ATOM 119 CD LYS A 729 14.278 8.090 1.246 1.00 0.00 C ATOM 120 CE LYS A 729 14.566 8.622 2.640 1.00 0.00 C ATOM 121 NZ LYS A 729 14.876 10.077 2.626 1.00 0.00 N ATOM 0 H LYS A 729 14.607 4.036 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 729 13.746 4.010 0.956 1.00 0.00 H new ATOM 0 HB2 LYS A 729 15.346 5.843 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 729 13.938 6.438 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 729 12.733 6.604 1.372 1.00 0.00 H new ATOM 0 HG3 LYS A 729 14.226 6.154 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 729 15.175 8.172 0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 729 13.511 8.703 0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 729 13.705 8.441 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 729 15.406 8.076 3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 15.066 10.401 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 15.713 10.248 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 14.065 10.601 2.239 1.00 0.00 H new ATOM 135 N CYS A 730 11.347 4.091 0.401 1.00 0.00 N ATOM 136 CA CYS A 730 9.921 4.076 0.094 1.00 0.00 C ATOM 137 C CYS A 730 9.362 5.499 0.075 1.00 0.00 C ATOM 138 O CYS A 730 9.774 6.344 0.870 1.00 0.00 O ATOM 139 CB CYS A 730 9.173 3.215 1.119 1.00 0.00 C ATOM 140 SG CYS A 730 7.371 3.336 1.032 1.00 0.00 S ATOM 0 H CYS A 730 11.579 3.771 1.341 1.00 0.00 H new ATOM 0 HA CYS A 730 9.779 3.642 -0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 730 9.461 2.173 0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 730 9.495 3.503 2.120 1.00 0.00 H new ATOM 0 HG CYS A 730 6.900 3.648 2.203 1.00 0.00 H new ATOM 145 N PRO A 731 8.416 5.790 -0.839 1.00 0.00 N ATOM 146 CA PRO A 731 7.814 7.110 -0.957 1.00 0.00 C ATOM 147 C PRO A 731 6.579 7.280 -0.074 1.00 0.00 C ATOM 148 O PRO A 731 5.678 8.053 -0.397 1.00 0.00 O ATOM 149 CB PRO A 731 7.426 7.186 -2.434 1.00 0.00 C ATOM 150 CG PRO A 731 7.327 5.769 -2.919 1.00 0.00 C ATOM 151 CD PRO A 731 7.861 4.863 -1.833 1.00 0.00 C ATOM 0 HA PRO A 731 8.497 7.896 -0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 731 6.477 7.707 -2.560 1.00 0.00 H new ATOM 0 HB3 PRO A 731 8.172 7.740 -3.004 1.00 0.00 H new ATOM 0 HG2 PRO A 731 6.292 5.517 -3.150 1.00 0.00 H new ATOM 0 HG3 PRO A 731 7.899 5.640 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 731 7.072 4.244 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 731 8.624 4.186 -2.217 1.00 0.00 H new ATOM 159 N LEU A 732 6.543 6.552 1.035 1.00 0.00 N ATOM 160 CA LEU A 732 5.415 6.622 1.959 1.00 0.00 C ATOM 161 C LEU A 732 5.884 6.709 3.412 1.00 0.00 C ATOM 162 O LEU A 732 5.069 6.815 4.328 1.00 0.00 O ATOM 163 CB LEU A 732 4.518 5.398 1.780 1.00 0.00 C ATOM 164 CG LEU A 732 3.800 5.319 0.430 1.00 0.00 C ATOM 165 CD1 LEU A 732 3.911 3.919 -0.156 1.00 0.00 C ATOM 166 CD2 LEU A 732 2.341 5.729 0.575 1.00 0.00 C ATOM 0 H LEU A 732 7.281 5.906 1.317 1.00 0.00 H new ATOM 0 HA LEU A 732 4.852 7.527 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 732 5.123 4.500 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 732 3.771 5.394 2.574 1.00 0.00 H new ATOM 0 HG LEU A 732 4.283 6.014 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 732 3.394 3.884 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 732 4.962 3.667 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 732 3.457 3.202 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 732 1.847 5.666 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 732 1.844 5.062 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 732 2.286 6.753 0.945 1.00 0.00 H new ATOM 178 N CYS A 733 7.197 6.656 3.620 1.00 0.00 N ATOM 179 CA CYS A 733 7.761 6.722 4.961 1.00 0.00 C ATOM 180 C CYS A 733 9.168 7.316 4.925 1.00 0.00 C ATOM 181 O CYS A 733 9.588 7.873 3.912 1.00 0.00 O ATOM 182 CB CYS A 733 7.796 5.323 5.574 1.00 0.00 C ATOM 183 SG CYS A 733 8.841 4.158 4.671 1.00 0.00 S ATOM 0 H CYS A 733 7.889 6.568 2.876 1.00 0.00 H new ATOM 0 HA CYS A 733 7.133 7.368 5.574 1.00 0.00 H new ATOM 0 HB2 CYS A 733 8.152 5.395 6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 733 6.781 4.929 5.616 1.00 0.00 H new ATOM 0 HG CYS A 733 9.684 4.815 3.930 1.00 0.00 H new ATOM 188 N GLU A 734 9.892 7.194 6.034 1.00 0.00 N ATOM 189 CA GLU A 734 11.250 7.719 6.121 1.00 0.00 C ATOM 190 C GLU A 734 12.234 6.621 6.517 1.00 0.00 C ATOM 191 O GLU A 734 13.125 6.840 7.339 1.00 0.00 O ATOM 192 CB GLU A 734 11.310 8.869 7.130 1.00 0.00 C ATOM 193 CG GLU A 734 12.056 10.090 6.616 1.00 0.00 C ATOM 194 CD GLU A 734 12.089 11.220 7.626 1.00 0.00 C ATOM 195 OE1 GLU A 734 12.978 11.205 8.504 1.00 0.00 O ATOM 196 OE2 GLU A 734 11.226 12.120 7.541 1.00 0.00 O ATOM 0 H GLU A 734 9.561 6.737 6.884 1.00 0.00 H new ATOM 0 HA GLU A 734 11.533 8.095 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 734 10.294 9.160 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 734 11.791 8.516 8.042 1.00 0.00 H new ATOM 0 HG2 GLU A 734 13.077 9.806 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 734 11.583 10.441 5.699 1.00 0.00 H new ATOM 203 N LEU A 735 12.066 5.440 5.931 1.00 0.00 N ATOM 204 CA LEU A 735 12.940 4.310 6.226 1.00 0.00 C ATOM 205 C LEU A 735 13.869 4.014 5.052 1.00 0.00 C ATOM 206 O LEU A 735 13.520 4.250 3.896 1.00 0.00 O ATOM 207 CB LEU A 735 12.108 3.069 6.557 1.00 0.00 C ATOM 208 CG LEU A 735 12.582 2.279 7.779 1.00 0.00 C ATOM 209 CD1 LEU A 735 12.401 3.099 9.046 1.00 0.00 C ATOM 210 CD2 LEU A 735 11.833 0.959 7.884 1.00 0.00 C ATOM 0 H LEU A 735 11.334 5.241 5.250 1.00 0.00 H new ATOM 0 HA LEU A 735 13.551 4.573 7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 735 11.075 3.376 6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 735 12.111 2.407 5.691 1.00 0.00 H new ATOM 0 HG LEU A 735 13.643 2.062 7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 735 12.743 2.522 9.905 1.00 0.00 H new ATOM 0 HD12 LEU A 735 12.983 4.018 8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 735 11.347 3.346 9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 735 12.183 0.411 8.759 1.00 0.00 H new ATOM 0 HD22 LEU A 735 10.765 1.153 7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 735 12.014 0.366 6.988 1.00 0.00 H new ATOM 222 N MET A 736 15.051 3.488 5.360 1.00 0.00 N ATOM 223 CA MET A 736 16.031 3.153 4.334 1.00 0.00 C ATOM 224 C MET A 736 16.255 1.644 4.280 1.00 0.00 C ATOM 225 O MET A 736 16.409 0.994 5.314 1.00 0.00 O ATOM 226 CB MET A 736 17.355 3.869 4.607 1.00 0.00 C ATOM 227 CG MET A 736 17.228 5.382 4.668 1.00 0.00 C ATOM 228 SD MET A 736 17.298 6.152 3.038 1.00 0.00 S ATOM 229 CE MET A 736 18.956 5.711 2.525 1.00 0.00 C ATOM 0 H MET A 736 15.353 3.285 6.313 1.00 0.00 H new ATOM 0 HA MET A 736 15.644 3.484 3.370 1.00 0.00 H new ATOM 0 HB2 MET A 736 17.765 3.509 5.551 1.00 0.00 H new ATOM 0 HB3 MET A 736 18.069 3.604 3.827 1.00 0.00 H new ATOM 0 HG2 MET A 736 16.286 5.644 5.149 1.00 0.00 H new ATOM 0 HG3 MET A 736 18.027 5.785 5.290 1.00 0.00 H new ATOM 0 HE1 MET A 736 19.275 6.371 1.719 1.00 0.00 H new ATOM 0 HE2 MET A 736 19.638 5.814 3.369 1.00 0.00 H new ATOM 0 HE3 MET A 736 18.966 4.679 2.174 1.00 0.00 H new ATOM 239 N PHE A 737 16.267 1.092 3.072 1.00 0.00 N ATOM 240 CA PHE A 737 16.467 -0.342 2.892 1.00 0.00 C ATOM 241 C PHE A 737 17.827 -0.635 2.258 1.00 0.00 C ATOM 242 O PHE A 737 18.264 0.075 1.353 1.00 0.00 O ATOM 243 CB PHE A 737 15.346 -0.927 2.031 1.00 0.00 C ATOM 244 CG PHE A 737 13.993 -0.863 2.684 1.00 0.00 C ATOM 245 CD1 PHE A 737 13.845 -1.142 4.033 1.00 0.00 C ATOM 246 CD2 PHE A 737 12.870 -0.522 1.948 1.00 0.00 C ATOM 247 CE1 PHE A 737 12.603 -1.083 4.636 1.00 0.00 C ATOM 248 CE2 PHE A 737 11.625 -0.461 2.545 1.00 0.00 C ATOM 249 CZ PHE A 737 11.492 -0.743 3.890 1.00 0.00 C ATOM 0 H PHE A 737 16.141 1.614 2.205 1.00 0.00 H new ATOM 0 HA PHE A 737 16.444 -0.812 3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 737 15.309 -0.390 1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 737 15.580 -1.966 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 737 14.711 -1.409 4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 737 12.969 -0.301 0.895 1.00 0.00 H new ATOM 0 HE1 PHE A 737 12.502 -1.302 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 737 10.757 -0.193 1.960 1.00 0.00 H new ATOM 0 HZ PHE A 737 10.520 -0.698 4.358 1.00 0.00 H new ATOM 259 N PRO A 738 18.516 -1.693 2.730 1.00 0.00 N ATOM 260 CA PRO A 738 19.832 -2.080 2.208 1.00 0.00 C ATOM 261 C PRO A 738 19.783 -2.470 0.733 1.00 0.00 C ATOM 262 O PRO A 738 18.734 -2.863 0.220 1.00 0.00 O ATOM 263 CB PRO A 738 20.224 -3.290 3.065 1.00 0.00 C ATOM 264 CG PRO A 738 18.941 -3.798 3.627 1.00 0.00 C ATOM 265 CD PRO A 738 18.068 -2.591 3.807 1.00 0.00 C ATOM 0 HA PRO A 738 20.543 -1.256 2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 738 20.722 -4.053 2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 738 20.916 -3.005 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 738 18.477 -4.519 2.954 1.00 0.00 H new ATOM 0 HG3 PRO A 738 19.104 -4.308 4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 738 17.011 -2.840 3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 738 18.201 -2.140 4.790 1.00 0.00 H new ATOM 273 N PRO A 739 20.923 -2.368 0.029 1.00 0.00 N ATOM 274 CA PRO A 739 21.009 -2.715 -1.395 1.00 0.00 C ATOM 275 C PRO A 739 20.654 -4.174 -1.658 1.00 0.00 C ATOM 276 O PRO A 739 20.264 -4.538 -2.767 1.00 0.00 O ATOM 277 CB PRO A 739 22.478 -2.448 -1.751 1.00 0.00 C ATOM 278 CG PRO A 739 23.199 -2.438 -0.447 1.00 0.00 C ATOM 279 CD PRO A 739 22.218 -1.914 0.562 1.00 0.00 C ATOM 0 HA PRO A 739 20.305 -2.137 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 739 22.870 -3.221 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 739 22.591 -1.497 -2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 739 23.537 -3.439 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 739 24.085 -1.805 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 739 22.409 -2.316 1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 739 22.263 -0.828 0.643 1.00 0.00 H new ATOM 287 N ASN A 740 20.787 -5.009 -0.630 1.00 0.00 N ATOM 288 CA ASN A 740 20.475 -6.428 -0.753 1.00 0.00 C ATOM 289 C ASN A 740 19.014 -6.706 -0.398 1.00 0.00 C ATOM 290 O ASN A 740 18.621 -7.857 -0.211 1.00 0.00 O ATOM 291 CB ASN A 740 21.394 -7.251 0.151 1.00 0.00 C ATOM 292 CG ASN A 740 21.595 -8.664 -0.360 1.00 0.00 C ATOM 293 OD1 ASN A 740 22.477 -8.921 -1.180 1.00 0.00 O ATOM 294 ND2 ASN A 740 20.773 -9.590 0.121 1.00 0.00 N ATOM 0 H ASN A 740 21.108 -4.726 0.296 1.00 0.00 H new ATOM 0 HA ASN A 740 20.636 -6.718 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 740 22.361 -6.755 0.229 1.00 0.00 H new ATOM 0 HB3 ASN A 740 20.973 -7.288 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 740 20.859 -10.558 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 740 20.056 -9.333 0.799 1.00 0.00 H new ATOM 301 N TYR A 741 18.212 -5.646 -0.307 1.00 0.00 N ATOM 302 CA TYR A 741 16.800 -5.780 0.025 1.00 0.00 C ATOM 303 C TYR A 741 15.996 -6.223 -1.194 1.00 0.00 C ATOM 304 O TYR A 741 16.089 -5.621 -2.264 1.00 0.00 O ATOM 305 CB TYR A 741 16.258 -4.450 0.552 1.00 0.00 C ATOM 306 CG TYR A 741 14.940 -4.572 1.282 1.00 0.00 C ATOM 307 CD1 TYR A 741 14.901 -4.831 2.646 1.00 0.00 C ATOM 308 CD2 TYR A 741 13.735 -4.425 0.607 1.00 0.00 C ATOM 309 CE1 TYR A 741 13.698 -4.940 3.317 1.00 0.00 C ATOM 310 CE2 TYR A 741 12.529 -4.531 1.271 1.00 0.00 C ATOM 311 CZ TYR A 741 12.516 -4.789 2.626 1.00 0.00 C ATOM 312 OH TYR A 741 11.315 -4.896 3.291 1.00 0.00 O ATOM 0 H TYR A 741 18.519 -4.685 -0.459 1.00 0.00 H new ATOM 0 HA TYR A 741 16.700 -6.541 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 741 16.995 -4.009 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 741 16.137 -3.761 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 741 15.826 -4.949 3.191 1.00 0.00 H new ATOM 0 HD2 TYR A 741 13.741 -4.225 -0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 741 13.685 -5.143 4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 741 11.601 -4.413 0.732 1.00 0.00 H new ATOM 0 HH TYR A 741 10.597 -4.533 2.731 1.00 0.00 H new ATOM 322 N ASP A 742 15.204 -7.278 -1.025 1.00 0.00 N ATOM 323 CA ASP A 742 14.383 -7.797 -2.112 1.00 0.00 C ATOM 324 C ASP A 742 13.281 -6.809 -2.474 1.00 0.00 C ATOM 325 O ASP A 742 12.557 -6.325 -1.604 1.00 0.00 O ATOM 326 CB ASP A 742 13.769 -9.141 -1.719 1.00 0.00 C ATOM 327 CG ASP A 742 13.448 -10.004 -2.923 1.00 0.00 C ATOM 328 OD1 ASP A 742 14.263 -10.028 -3.870 1.00 0.00 O ATOM 329 OD2 ASP A 742 12.382 -10.655 -2.920 1.00 0.00 O ATOM 0 H ASP A 742 15.114 -7.789 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 742 15.022 -7.940 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 742 14.459 -9.675 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 742 12.858 -8.968 -1.146 1.00 0.00 H new ATOM 334 N GLN A 743 13.160 -6.508 -3.764 1.00 0.00 N ATOM 335 CA GLN A 743 12.146 -5.573 -4.236 1.00 0.00 C ATOM 336 C GLN A 743 10.747 -6.053 -3.865 1.00 0.00 C ATOM 337 O GLN A 743 9.850 -5.246 -3.621 1.00 0.00 O ATOM 338 CB GLN A 743 12.254 -5.385 -5.747 1.00 0.00 C ATOM 339 CG GLN A 743 11.966 -6.648 -6.543 1.00 0.00 C ATOM 340 CD GLN A 743 10.813 -6.479 -7.514 1.00 0.00 C ATOM 341 OE1 GLN A 743 10.875 -6.940 -8.654 1.00 0.00 O ATOM 342 NE2 GLN A 743 9.753 -5.816 -7.066 1.00 0.00 N ATOM 0 H GLN A 743 13.751 -6.898 -4.499 1.00 0.00 H new ATOM 0 HA GLN A 743 12.320 -4.614 -3.749 1.00 0.00 H new ATOM 0 HB2 GLN A 743 11.559 -4.604 -6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 743 13.257 -5.034 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 743 12.861 -6.937 -7.095 1.00 0.00 H new ATOM 0 HG3 GLN A 743 11.739 -7.462 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 743 9.745 -5.451 -6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 743 8.947 -5.672 -7.674 1.00 0.00 H new ATOM 351 N SER A 744 10.566 -7.370 -3.812 1.00 0.00 N ATOM 352 CA SER A 744 9.273 -7.945 -3.458 1.00 0.00 C ATOM 353 C SER A 744 8.851 -7.470 -2.073 1.00 0.00 C ATOM 354 O SER A 744 7.709 -7.051 -1.865 1.00 0.00 O ATOM 355 CB SER A 744 9.342 -9.472 -3.491 1.00 0.00 C ATOM 356 OG SER A 744 9.046 -9.969 -4.785 1.00 0.00 O ATOM 0 H SER A 744 11.295 -8.056 -4.009 1.00 0.00 H new ATOM 0 HA SER A 744 8.533 -7.614 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 744 10.337 -9.801 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 744 8.638 -9.886 -2.769 1.00 0.00 H new ATOM 0 HG SER A 744 9.099 -10.948 -4.780 1.00 0.00 H new ATOM 362 N LYS A 745 9.790 -7.514 -1.135 1.00 0.00 N ATOM 363 CA LYS A 745 9.528 -7.067 0.222 1.00 0.00 C ATOM 364 C LYS A 745 9.263 -5.572 0.214 1.00 0.00 C ATOM 365 O LYS A 745 8.435 -5.067 0.973 1.00 0.00 O ATOM 366 CB LYS A 745 10.715 -7.389 1.133 1.00 0.00 C ATOM 367 CG LYS A 745 10.519 -8.648 1.964 1.00 0.00 C ATOM 368 CD LYS A 745 11.424 -9.778 1.495 1.00 0.00 C ATOM 369 CE LYS A 745 12.111 -10.466 2.664 1.00 0.00 C ATOM 370 NZ LYS A 745 13.129 -9.589 3.304 1.00 0.00 N ATOM 0 H LYS A 745 10.738 -7.855 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 745 8.653 -7.590 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 745 11.611 -7.502 0.523 1.00 0.00 H new ATOM 0 HB3 LYS A 745 10.889 -6.546 1.801 1.00 0.00 H new ATOM 0 HG2 LYS A 745 10.724 -8.428 3.012 1.00 0.00 H new ATOM 0 HG3 LYS A 745 9.478 -8.966 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 745 10.837 -10.507 0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 745 12.176 -9.383 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 745 11.365 -10.756 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 745 12.588 -11.382 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 745 13.755 -10.164 3.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 745 13.692 -9.117 2.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 745 12.652 -8.873 3.888 1.00 0.00 H new ATOM 384 N PHE A 746 9.969 -4.872 -0.667 1.00 0.00 N ATOM 385 CA PHE A 746 9.812 -3.435 -0.802 1.00 0.00 C ATOM 386 C PHE A 746 8.417 -3.114 -1.312 1.00 0.00 C ATOM 387 O PHE A 746 7.779 -2.171 -0.854 1.00 0.00 O ATOM 388 CB PHE A 746 10.867 -2.873 -1.756 1.00 0.00 C ATOM 389 CG PHE A 746 10.869 -1.373 -1.830 1.00 0.00 C ATOM 390 CD1 PHE A 746 10.992 -0.613 -0.678 1.00 0.00 C ATOM 391 CD2 PHE A 746 10.747 -0.723 -3.047 1.00 0.00 C ATOM 392 CE1 PHE A 746 10.993 0.769 -0.738 1.00 0.00 C ATOM 393 CE2 PHE A 746 10.747 0.658 -3.114 1.00 0.00 C ATOM 394 CZ PHE A 746 10.871 1.404 -1.957 1.00 0.00 C ATOM 0 H PHE A 746 10.657 -5.281 -1.299 1.00 0.00 H new ATOM 0 HA PHE A 746 9.947 -2.971 0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 746 11.852 -3.215 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 746 10.696 -3.278 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 746 11.088 -1.106 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 746 10.651 -1.301 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 746 11.089 1.350 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 746 10.650 1.153 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 746 10.872 2.483 -2.007 1.00 0.00 H new ATOM 404 N GLU A 747 7.942 -3.922 -2.256 1.00 0.00 N ATOM 405 CA GLU A 747 6.610 -3.739 -2.816 1.00 0.00 C ATOM 406 C GLU A 747 5.561 -3.893 -1.724 1.00 0.00 C ATOM 407 O GLU A 747 4.609 -3.115 -1.642 1.00 0.00 O ATOM 408 CB GLU A 747 6.359 -4.752 -3.935 1.00 0.00 C ATOM 409 CG GLU A 747 7.086 -4.422 -5.228 1.00 0.00 C ATOM 410 CD GLU A 747 6.789 -3.021 -5.723 1.00 0.00 C ATOM 411 OE1 GLU A 747 5.596 -2.674 -5.842 1.00 0.00 O ATOM 412 OE2 GLU A 747 7.751 -2.270 -5.992 1.00 0.00 O ATOM 0 H GLU A 747 8.460 -4.708 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 747 6.541 -2.735 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 747 6.669 -5.740 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 747 5.288 -4.804 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 747 8.160 -4.529 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 747 6.801 -5.142 -5.995 1.00 0.00 H new ATOM 419 N GLU A 748 5.751 -4.902 -0.881 1.00 0.00 N ATOM 420 CA GLU A 748 4.833 -5.168 0.222 1.00 0.00 C ATOM 421 C GLU A 748 4.852 -4.023 1.228 1.00 0.00 C ATOM 422 O GLU A 748 3.813 -3.619 1.748 1.00 0.00 O ATOM 423 CB GLU A 748 5.203 -6.479 0.915 1.00 0.00 C ATOM 424 CG GLU A 748 4.543 -7.701 0.300 1.00 0.00 C ATOM 425 CD GLU A 748 3.405 -8.238 1.146 1.00 0.00 C ATOM 426 OE1 GLU A 748 3.666 -8.662 2.292 1.00 0.00 O ATOM 427 OE2 GLU A 748 2.253 -8.236 0.664 1.00 0.00 O ATOM 0 H GLU A 748 6.535 -5.552 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 748 3.826 -5.254 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 748 6.285 -6.605 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 748 4.923 -6.416 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 748 4.165 -7.446 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 748 5.290 -8.483 0.164 1.00 0.00 H new ATOM 434 N HIS A 749 6.042 -3.505 1.497 1.00 0.00 N ATOM 435 CA HIS A 749 6.204 -2.403 2.438 1.00 0.00 C ATOM 436 C HIS A 749 5.593 -1.129 1.861 1.00 0.00 C ATOM 437 O HIS A 749 4.845 -0.423 2.538 1.00 0.00 O ATOM 438 CB HIS A 749 7.693 -2.217 2.756 1.00 0.00 C ATOM 439 CG HIS A 749 8.085 -0.825 3.141 1.00 0.00 C ATOM 440 ND1 HIS A 749 8.225 -0.398 4.442 1.00 0.00 N ATOM 441 CD2 HIS A 749 8.397 0.242 2.362 1.00 0.00 C ATOM 442 CE1 HIS A 749 8.611 0.883 4.414 1.00 0.00 C ATOM 443 NE2 HIS A 749 8.730 1.317 3.175 1.00 0.00 N ATOM 0 H HIS A 749 6.912 -3.830 1.076 1.00 0.00 H new ATOM 0 HA HIS A 749 5.681 -2.631 3.367 1.00 0.00 H new ATOM 0 HB2 HIS A 749 7.964 -2.893 3.567 1.00 0.00 H new ATOM 0 HB3 HIS A 749 8.276 -2.515 1.885 1.00 0.00 H new ATOM 0 HD1 HIS A 749 8.063 -0.958 5.279 1.00 0.00 H new ATOM 0 HD2 HIS A 749 8.388 0.253 1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 749 8.800 1.483 5.292 1.00 0.00 H new ATOM 451 N VAL A 750 5.903 -0.856 0.602 1.00 0.00 N ATOM 452 CA VAL A 750 5.370 0.316 -0.077 1.00 0.00 C ATOM 453 C VAL A 750 3.846 0.254 -0.117 1.00 0.00 C ATOM 454 O VAL A 750 3.166 1.245 0.148 1.00 0.00 O ATOM 455 CB VAL A 750 5.910 0.419 -1.516 1.00 0.00 C ATOM 456 CG1 VAL A 750 5.337 1.636 -2.229 1.00 0.00 C ATOM 457 CG2 VAL A 750 7.430 0.464 -1.514 1.00 0.00 C ATOM 0 H VAL A 750 6.521 -1.431 0.030 1.00 0.00 H new ATOM 0 HA VAL A 750 5.689 1.196 0.481 1.00 0.00 H new ATOM 0 HB VAL A 750 5.592 -0.470 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 750 5.735 1.685 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 750 4.251 1.556 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 750 5.615 2.540 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 750 7.793 0.537 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 750 7.768 1.332 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 750 7.820 -0.444 -1.054 1.00 0.00 H new ATOM 467 N GLU A 751 3.319 -0.923 -0.447 1.00 0.00 N ATOM 468 CA GLU A 751 1.877 -1.121 -0.516 1.00 0.00 C ATOM 469 C GLU A 751 1.265 -1.114 0.879 1.00 0.00 C ATOM 470 O GLU A 751 0.108 -0.733 1.060 1.00 0.00 O ATOM 471 CB GLU A 751 1.549 -2.429 -1.245 1.00 0.00 C ATOM 472 CG GLU A 751 1.597 -3.673 -0.367 1.00 0.00 C ATOM 473 CD GLU A 751 0.219 -4.240 -0.085 1.00 0.00 C ATOM 474 OE1 GLU A 751 -0.763 -3.469 -0.133 1.00 0.00 O ATOM 475 OE2 GLU A 751 0.121 -5.456 0.186 1.00 0.00 O ATOM 0 H GLU A 751 3.870 -1.752 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 751 1.444 -0.295 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 751 0.554 -2.347 -1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 751 2.250 -2.555 -2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 751 2.206 -4.434 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 751 2.086 -3.429 0.576 1.00 0.00 H new ATOM 482 N SER A 752 2.054 -1.524 1.870 1.00 0.00 N ATOM 483 CA SER A 752 1.588 -1.550 3.250 1.00 0.00 C ATOM 484 C SER A 752 1.099 -0.165 3.659 1.00 0.00 C ATOM 485 O SER A 752 0.224 -0.027 4.513 1.00 0.00 O ATOM 486 CB SER A 752 2.709 -2.012 4.184 1.00 0.00 C ATOM 487 OG SER A 752 2.513 -3.355 4.589 1.00 0.00 O ATOM 0 H SER A 752 3.015 -1.841 1.742 1.00 0.00 H new ATOM 0 HA SER A 752 0.761 -2.256 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 752 3.670 -1.918 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 752 2.746 -1.366 5.061 1.00 0.00 H new ATOM 0 HG SER A 752 2.800 -3.958 3.872 1.00 0.00 H new ATOM 493 N HIS A 753 1.665 0.858 3.025 1.00 0.00 N ATOM 494 CA HIS A 753 1.280 2.239 3.303 1.00 0.00 C ATOM 495 C HIS A 753 0.020 2.612 2.525 1.00 0.00 C ATOM 496 O HIS A 753 -0.720 3.513 2.916 1.00 0.00 O ATOM 497 CB HIS A 753 2.414 3.197 2.933 1.00 0.00 C ATOM 498 CG HIS A 753 3.719 2.873 3.590 1.00 0.00 C ATOM 499 ND1 HIS A 753 4.015 3.175 4.900 1.00 0.00 N ATOM 500 CD2 HIS A 753 4.821 2.262 3.086 1.00 0.00 C ATOM 501 CE1 HIS A 753 5.261 2.751 5.148 1.00 0.00 C ATOM 502 NE2 HIS A 753 5.794 2.187 4.081 1.00 0.00 N ATOM 0 H HIS A 753 2.391 0.757 2.316 1.00 0.00 H new ATOM 0 HA HIS A 753 1.076 2.324 4.370 1.00 0.00 H new ATOM 0 HB2 HIS A 753 2.550 3.184 1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 753 2.123 4.212 3.205 1.00 0.00 H new ATOM 0 HD1 HIS A 753 3.395 3.639 5.564 1.00 0.00 H new ATOM 0 HD2 HIS A 753 4.927 1.893 2.076 1.00 0.00 H new ATOM 0 HE1 HIS A 753 5.764 2.857 6.098 1.00 0.00 H new ATOM 510 N TRP A 754 -0.213 1.909 1.420 1.00 0.00 N ATOM 511 CA TRP A 754 -1.378 2.156 0.580 1.00 0.00 C ATOM 512 C TRP A 754 -2.656 1.698 1.274 1.00 0.00 C ATOM 513 O TRP A 754 -2.612 0.928 2.233 1.00 0.00 O ATOM 514 CB TRP A 754 -1.233 1.418 -0.751 1.00 0.00 C ATOM 515 CG TRP A 754 -0.282 2.071 -1.704 1.00 0.00 C ATOM 516 CD1 TRP A 754 0.794 2.850 -1.395 1.00 0.00 C ATOM 517 CD2 TRP A 754 -0.328 1.997 -3.131 1.00 0.00 C ATOM 518 NE1 TRP A 754 1.422 3.263 -2.548 1.00 0.00 N ATOM 519 CE2 TRP A 754 0.751 2.751 -3.626 1.00 0.00 C ATOM 520 CE3 TRP A 754 -1.176 1.363 -4.034 1.00 0.00 C ATOM 521 CZ2 TRP A 754 1.002 2.887 -4.989 1.00 0.00 C ATOM 522 CZ3 TRP A 754 -0.930 1.497 -5.387 1.00 0.00 C ATOM 523 CH2 TRP A 754 0.152 2.254 -5.854 1.00 0.00 C ATOM 0 H TRP A 754 0.394 1.160 1.085 1.00 0.00 H new ATOM 0 HA TRP A 754 -1.441 3.229 0.399 1.00 0.00 H new ATOM 0 HB2 TRP A 754 -0.896 0.400 -0.556 1.00 0.00 H new ATOM 0 HB3 TRP A 754 -2.213 1.344 -1.223 1.00 0.00 H new ATOM 0 HD1 TRP A 754 1.107 3.105 -0.393 1.00 0.00 H new ATOM 0 HE1 TRP A 754 2.252 3.854 -2.592 1.00 0.00 H new ATOM 0 HE3 TRP A 754 -2.012 0.776 -3.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 754 1.836 3.470 -5.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 754 -1.583 1.010 -6.096 1.00 0.00 H new ATOM 0 HH2 TRP A 754 0.318 2.340 -6.918 1.00 0.00 H new ATOM 534 N LYS A 755 -3.794 2.159 0.767 1.00 0.00 N ATOM 535 CA LYS A 755 -5.085 1.776 1.322 1.00 0.00 C ATOM 536 C LYS A 755 -5.564 0.495 0.657 1.00 0.00 C ATOM 537 O LYS A 755 -5.848 0.484 -0.535 1.00 0.00 O ATOM 538 CB LYS A 755 -6.107 2.894 1.112 1.00 0.00 C ATOM 539 CG LYS A 755 -6.045 3.985 2.169 1.00 0.00 C ATOM 540 CD LYS A 755 -6.217 5.365 1.557 1.00 0.00 C ATOM 541 CE LYS A 755 -6.731 6.366 2.579 1.00 0.00 C ATOM 542 NZ LYS A 755 -7.430 7.511 1.933 1.00 0.00 N ATOM 0 H LYS A 755 -3.848 2.798 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 755 -4.976 1.606 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 755 -5.947 3.341 0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 755 -7.108 2.463 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 755 -6.823 3.816 2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 755 -5.089 3.934 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 755 -5.263 5.709 1.157 1.00 0.00 H new ATOM 0 HD3 LYS A 755 -6.912 5.309 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 755 -7.413 5.865 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 755 -5.897 6.739 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 755 -7.332 8.358 2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 755 -7.009 7.693 1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 755 -8.438 7.283 1.819 1.00 0.00 H new ATOM 556 N VAL A 756 -5.630 -0.589 1.420 1.00 0.00 N ATOM 557 CA VAL A 756 -6.050 -1.868 0.865 1.00 0.00 C ATOM 558 C VAL A 756 -7.292 -2.417 1.550 1.00 0.00 C ATOM 559 O VAL A 756 -7.393 -2.429 2.777 1.00 0.00 O ATOM 560 CB VAL A 756 -4.921 -2.912 0.958 1.00 0.00 C ATOM 561 CG1 VAL A 756 -5.327 -4.217 0.286 1.00 0.00 C ATOM 562 CG2 VAL A 756 -3.650 -2.362 0.336 1.00 0.00 C ATOM 0 H VAL A 756 -5.401 -0.608 2.414 1.00 0.00 H new ATOM 0 HA VAL A 756 -6.290 -1.680 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 756 -4.734 -3.124 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 756 -4.512 -4.936 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 756 -6.214 -4.618 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 756 -5.546 -4.032 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 756 -2.858 -3.108 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 756 -3.831 -2.124 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 756 -3.347 -1.459 0.866 1.00 0.00 H new ATOM 572 N CYS A 757 -8.227 -2.889 0.734 1.00 0.00 N ATOM 573 CA CYS A 757 -9.467 -3.468 1.232 1.00 0.00 C ATOM 574 C CYS A 757 -9.202 -4.863 1.800 1.00 0.00 C ATOM 575 O CYS A 757 -8.540 -5.683 1.162 1.00 0.00 O ATOM 576 CB CYS A 757 -10.500 -3.537 0.107 1.00 0.00 C ATOM 577 SG CYS A 757 -12.119 -4.155 0.620 1.00 0.00 S ATOM 0 H CYS A 757 -8.148 -2.881 -0.283 1.00 0.00 H new ATOM 0 HA CYS A 757 -9.861 -2.837 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 757 -10.623 -2.541 -0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 757 -10.114 -4.178 -0.686 1.00 0.00 H new ATOM 0 HG CYS A 757 -12.315 -5.334 0.109 1.00 0.00 H new ATOM 582 N PRO A 758 -9.694 -5.149 3.018 1.00 0.00 N ATOM 583 CA PRO A 758 -9.483 -6.441 3.670 1.00 0.00 C ATOM 584 C PRO A 758 -10.516 -7.497 3.283 1.00 0.00 C ATOM 585 O PRO A 758 -10.370 -8.669 3.631 1.00 0.00 O ATOM 586 CB PRO A 758 -9.620 -6.084 5.147 1.00 0.00 C ATOM 587 CG PRO A 758 -10.625 -4.982 5.172 1.00 0.00 C ATOM 588 CD PRO A 758 -10.477 -4.231 3.869 1.00 0.00 C ATOM 0 HA PRO A 758 -8.529 -6.887 3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 758 -9.955 -6.940 5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 758 -8.667 -5.762 5.568 1.00 0.00 H new ATOM 0 HG2 PRO A 758 -11.634 -5.381 5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 758 -10.454 -4.321 6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 758 -11.447 -4.005 3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 758 -9.962 -3.281 4.012 1.00 0.00 H new ATOM 596 N MET A 759 -11.563 -7.085 2.575 1.00 0.00 N ATOM 597 CA MET A 759 -12.609 -8.018 2.169 1.00 0.00 C ATOM 598 C MET A 759 -12.275 -8.700 0.844 1.00 0.00 C ATOM 599 O MET A 759 -12.729 -9.814 0.583 1.00 0.00 O ATOM 600 CB MET A 759 -13.949 -7.293 2.068 1.00 0.00 C ATOM 601 CG MET A 759 -14.463 -6.788 3.408 1.00 0.00 C ATOM 602 SD MET A 759 -14.627 -8.104 4.629 1.00 0.00 S ATOM 603 CE MET A 759 -14.584 -7.158 6.150 1.00 0.00 C ATOM 0 H MET A 759 -11.710 -6.122 2.273 1.00 0.00 H new ATOM 0 HA MET A 759 -12.676 -8.794 2.931 1.00 0.00 H new ATOM 0 HB2 MET A 759 -13.847 -6.450 1.385 1.00 0.00 H new ATOM 0 HB3 MET A 759 -14.687 -7.968 1.634 1.00 0.00 H new ATOM 0 HG2 MET A 759 -13.783 -6.026 3.790 1.00 0.00 H new ATOM 0 HG3 MET A 759 -15.431 -6.308 3.264 1.00 0.00 H new ATOM 0 HE1 MET A 759 -14.234 -7.793 6.964 1.00 0.00 H new ATOM 0 HE2 MET A 759 -13.907 -6.312 6.033 1.00 0.00 H new ATOM 0 HE3 MET A 759 -15.585 -6.793 6.380 1.00 0.00 H new ATOM 613 N CYS A 760 -11.480 -8.034 0.011 1.00 0.00 N ATOM 614 CA CYS A 760 -11.096 -8.600 -1.283 1.00 0.00 C ATOM 615 C CYS A 760 -9.586 -8.520 -1.514 1.00 0.00 C ATOM 616 O CYS A 760 -9.036 -9.277 -2.315 1.00 0.00 O ATOM 617 CB CYS A 760 -11.835 -7.891 -2.417 1.00 0.00 C ATOM 618 SG CYS A 760 -11.287 -6.195 -2.705 1.00 0.00 S ATOM 0 H CYS A 760 -11.091 -7.111 0.204 1.00 0.00 H new ATOM 0 HA CYS A 760 -11.377 -9.653 -1.272 1.00 0.00 H new ATOM 0 HB2 CYS A 760 -11.706 -8.464 -3.335 1.00 0.00 H new ATOM 0 HB3 CYS A 760 -12.902 -7.884 -2.193 1.00 0.00 H new ATOM 0 HG CYS A 760 -12.219 -5.369 -2.332 1.00 0.00 H new ATOM 623 N SER A 761 -8.920 -7.601 -0.810 1.00 0.00 N ATOM 624 CA SER A 761 -7.471 -7.418 -0.931 1.00 0.00 C ATOM 625 C SER A 761 -7.119 -6.495 -2.098 1.00 0.00 C ATOM 626 O SER A 761 -6.116 -6.703 -2.783 1.00 0.00 O ATOM 627 CB SER A 761 -6.758 -8.763 -1.095 1.00 0.00 C ATOM 628 OG SER A 761 -7.363 -9.763 -0.294 1.00 0.00 O ATOM 0 H SER A 761 -9.365 -6.968 -0.146 1.00 0.00 H new ATOM 0 HA SER A 761 -7.128 -6.950 -0.008 1.00 0.00 H new ATOM 0 HB2 SER A 761 -6.784 -9.066 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 761 -5.709 -8.658 -0.819 1.00 0.00 H new ATOM 0 HG SER A 761 -6.890 -10.612 -0.418 1.00 0.00 H new ATOM 634 N GLU A 762 -7.935 -5.466 -2.307 1.00 0.00 N ATOM 635 CA GLU A 762 -7.695 -4.503 -3.379 1.00 0.00 C ATOM 636 C GLU A 762 -6.721 -3.435 -2.912 1.00 0.00 C ATOM 637 O GLU A 762 -6.735 -3.049 -1.745 1.00 0.00 O ATOM 638 CB GLU A 762 -9.009 -3.849 -3.821 1.00 0.00 C ATOM 639 CG GLU A 762 -9.488 -4.315 -5.185 1.00 0.00 C ATOM 640 CD GLU A 762 -9.379 -3.233 -6.243 1.00 0.00 C ATOM 641 OE1 GLU A 762 -8.313 -3.136 -6.884 1.00 0.00 O ATOM 642 OE2 GLU A 762 -10.361 -2.484 -6.429 1.00 0.00 O ATOM 0 H GLU A 762 -8.768 -5.277 -1.749 1.00 0.00 H new ATOM 0 HA GLU A 762 -7.266 -5.034 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 762 -9.780 -4.064 -3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 762 -8.879 -2.767 -3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 762 -8.903 -5.181 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 762 -10.525 -4.641 -5.110 1.00 0.00 H new ATOM 649 N GLN A 763 -5.875 -2.952 -3.817 1.00 0.00 N ATOM 650 CA GLN A 763 -4.911 -1.926 -3.449 1.00 0.00 C ATOM 651 C GLN A 763 -5.319 -0.567 -4.005 1.00 0.00 C ATOM 652 O GLN A 763 -5.625 -0.427 -5.189 1.00 0.00 O ATOM 653 CB GLN A 763 -3.520 -2.299 -3.968 1.00 0.00 C ATOM 654 CG GLN A 763 -2.665 -3.039 -2.952 1.00 0.00 C ATOM 655 CD GLN A 763 -1.190 -3.003 -3.299 1.00 0.00 C ATOM 656 OE1 GLN A 763 -0.536 -4.043 -3.390 1.00 0.00 O ATOM 657 NE2 GLN A 763 -0.656 -1.802 -3.492 1.00 0.00 N ATOM 0 H GLN A 763 -5.838 -3.249 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 763 -4.887 -1.861 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 763 -3.629 -2.919 -4.858 1.00 0.00 H new ATOM 0 HB3 GLN A 763 -3.001 -1.391 -4.273 1.00 0.00 H new ATOM 0 HG2 GLN A 763 -2.814 -2.598 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 763 -2.995 -4.076 -2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 763 -1.235 -0.967 -3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 763 0.333 -1.715 -3.726 1.00 0.00 H new ATOM 666 N PHE A 764 -5.299 0.429 -3.131 1.00 0.00 N ATOM 667 CA PHE A 764 -5.645 1.797 -3.502 1.00 0.00 C ATOM 668 C PHE A 764 -4.465 2.740 -3.259 1.00 0.00 C ATOM 669 O PHE A 764 -4.010 2.889 -2.122 1.00 0.00 O ATOM 670 CB PHE A 764 -6.871 2.263 -2.714 1.00 0.00 C ATOM 671 CG PHE A 764 -8.094 1.434 -2.982 1.00 0.00 C ATOM 672 CD1 PHE A 764 -8.948 1.753 -4.025 1.00 0.00 C ATOM 673 CD2 PHE A 764 -8.384 0.328 -2.197 1.00 0.00 C ATOM 674 CE1 PHE A 764 -10.072 0.987 -4.277 1.00 0.00 C ATOM 675 CE2 PHE A 764 -9.503 -0.441 -2.446 1.00 0.00 C ATOM 676 CZ PHE A 764 -10.347 -0.111 -3.487 1.00 0.00 C ATOM 0 H PHE A 764 -5.044 0.315 -2.150 1.00 0.00 H new ATOM 0 HA PHE A 764 -5.882 1.816 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 764 -6.644 2.231 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 764 -7.082 3.303 -2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 764 -8.734 2.609 -4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 764 -7.727 0.065 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 764 -10.733 1.248 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 764 -9.718 -1.300 -1.827 1.00 0.00 H new ATOM 0 HZ PHE A 764 -11.223 -0.712 -3.683 1.00 0.00 H new ATOM 686 N PRO A 765 -3.948 3.398 -4.314 1.00 0.00 N ATOM 687 CA PRO A 765 -2.819 4.326 -4.179 1.00 0.00 C ATOM 688 C PRO A 765 -3.125 5.470 -3.214 1.00 0.00 C ATOM 689 O PRO A 765 -4.280 5.864 -3.053 1.00 0.00 O ATOM 690 CB PRO A 765 -2.622 4.866 -5.600 1.00 0.00 C ATOM 691 CG PRO A 765 -3.247 3.845 -6.484 1.00 0.00 C ATOM 692 CD PRO A 765 -4.409 3.293 -5.708 1.00 0.00 C ATOM 0 HA PRO A 765 -1.936 3.834 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 765 -3.097 5.840 -5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 765 -1.565 4.996 -5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 765 -3.578 4.290 -7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 765 -2.536 3.058 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 765 -5.319 3.869 -5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 765 -4.628 2.262 -5.985 1.00 0.00 H new ATOM 700 N PRO A 766 -2.088 6.018 -2.553 1.00 0.00 N ATOM 701 CA PRO A 766 -2.251 7.117 -1.597 1.00 0.00 C ATOM 702 C PRO A 766 -3.015 8.297 -2.190 1.00 0.00 C ATOM 703 O PRO A 766 -3.620 9.084 -1.461 1.00 0.00 O ATOM 704 CB PRO A 766 -0.813 7.525 -1.272 1.00 0.00 C ATOM 705 CG PRO A 766 -0.006 6.304 -1.539 1.00 0.00 C ATOM 706 CD PRO A 766 -0.679 5.605 -2.685 1.00 0.00 C ATOM 0 HA PRO A 766 -2.830 6.812 -0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 766 -0.488 8.359 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 766 -0.717 7.845 -0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 766 1.022 6.563 -1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 766 0.033 5.662 -0.659 1.00 0.00 H new ATOM 0 HD2 PRO A 766 -0.259 5.908 -3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 766 -0.569 4.523 -2.617 1.00 0.00 H new ATOM 714 N ASP A 767 -2.981 8.417 -3.512 1.00 0.00 N ATOM 715 CA ASP A 767 -3.669 9.506 -4.198 1.00 0.00 C ATOM 716 C ASP A 767 -5.153 9.194 -4.383 1.00 0.00 C ATOM 717 O ASP A 767 -5.938 10.073 -4.737 1.00 0.00 O ATOM 718 CB ASP A 767 -3.015 9.772 -5.558 1.00 0.00 C ATOM 719 CG ASP A 767 -2.246 11.077 -5.583 1.00 0.00 C ATOM 720 OD1 ASP A 767 -2.857 12.132 -5.309 1.00 0.00 O ATOM 721 OD2 ASP A 767 -1.033 11.046 -5.879 1.00 0.00 O ATOM 0 H ASP A 767 -2.485 7.775 -4.130 1.00 0.00 H new ATOM 0 HA ASP A 767 -3.585 10.399 -3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 767 -2.340 8.951 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 767 -3.784 9.792 -6.330 1.00 0.00 H new ATOM 726 N TYR A 768 -5.535 7.942 -4.141 1.00 0.00 N ATOM 727 CA TYR A 768 -6.927 7.530 -4.283 1.00 0.00 C ATOM 728 C TYR A 768 -7.811 8.233 -3.259 1.00 0.00 C ATOM 729 O TYR A 768 -7.416 8.420 -2.109 1.00 0.00 O ATOM 730 CB TYR A 768 -7.053 6.014 -4.123 1.00 0.00 C ATOM 731 CG TYR A 768 -8.090 5.396 -5.033 1.00 0.00 C ATOM 732 CD1 TYR A 768 -7.821 5.174 -6.377 1.00 0.00 C ATOM 733 CD2 TYR A 768 -9.342 5.037 -4.546 1.00 0.00 C ATOM 734 CE1 TYR A 768 -8.768 4.611 -7.212 1.00 0.00 C ATOM 735 CE2 TYR A 768 -10.294 4.474 -5.374 1.00 0.00 C ATOM 736 CZ TYR A 768 -10.002 4.262 -6.705 1.00 0.00 C ATOM 737 OH TYR A 768 -10.948 3.702 -7.533 1.00 0.00 O ATOM 0 H TYR A 768 -4.902 7.199 -3.847 1.00 0.00 H new ATOM 0 HA TYR A 768 -7.261 7.813 -5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 768 -6.085 5.554 -4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 768 -7.307 5.786 -3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 768 -6.855 5.446 -6.777 1.00 0.00 H new ATOM 0 HD2 TYR A 768 -9.574 5.201 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 768 -8.543 4.445 -8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 768 -11.262 4.201 -4.981 1.00 0.00 H new ATOM 0 HH TYR A 768 -11.762 3.514 -7.020 1.00 0.00 H new ATOM 747 N ASP A 769 -9.009 8.616 -3.685 1.00 0.00 N ATOM 748 CA ASP A 769 -9.951 9.296 -2.802 1.00 0.00 C ATOM 749 C ASP A 769 -10.490 8.337 -1.748 1.00 0.00 C ATOM 750 O ASP A 769 -11.002 7.265 -2.074 1.00 0.00 O ATOM 751 CB ASP A 769 -11.105 9.890 -3.610 1.00 0.00 C ATOM 752 CG ASP A 769 -10.768 11.251 -4.185 1.00 0.00 C ATOM 753 OD1 ASP A 769 -10.582 12.200 -3.395 1.00 0.00 O ATOM 754 OD2 ASP A 769 -10.691 11.369 -5.427 1.00 0.00 O ATOM 0 H ASP A 769 -9.351 8.468 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 769 -9.422 10.104 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 769 -11.364 9.210 -4.421 1.00 0.00 H new ATOM 0 HB3 ASP A 769 -11.985 9.976 -2.972 1.00 0.00 H new ATOM 759 N GLN A 770 -10.372 8.725 -0.483 1.00 0.00 N ATOM 760 CA GLN A 770 -10.848 7.896 0.619 1.00 0.00 C ATOM 761 C GLN A 770 -12.326 7.560 0.451 1.00 0.00 C ATOM 762 O GLN A 770 -12.771 6.473 0.816 1.00 0.00 O ATOM 763 CB GLN A 770 -10.622 8.607 1.957 1.00 0.00 C ATOM 764 CG GLN A 770 -11.117 7.817 3.159 1.00 0.00 C ATOM 765 CD GLN A 770 -10.341 6.533 3.374 1.00 0.00 C ATOM 766 OE1 GLN A 770 -9.530 6.137 2.538 1.00 0.00 O ATOM 767 NE2 GLN A 770 -10.589 5.873 4.500 1.00 0.00 N ATOM 0 H GLN A 770 -9.951 9.608 -0.195 1.00 0.00 H new ATOM 0 HA GLN A 770 -10.280 6.966 0.610 1.00 0.00 H new ATOM 0 HB2 GLN A 770 -9.557 8.806 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 770 -11.127 9.573 1.935 1.00 0.00 H new ATOM 0 HG2 GLN A 770 -11.041 8.437 4.052 1.00 0.00 H new ATOM 0 HG3 GLN A 770 -12.172 7.581 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 770 -11.270 6.238 5.166 1.00 0.00 H new ATOM 0 HE22 GLN A 770 -10.098 5.001 4.699 1.00 0.00 H new ATOM 776 N GLN A 771 -13.083 8.500 -0.107 1.00 0.00 N ATOM 777 CA GLN A 771 -14.510 8.296 -0.326 1.00 0.00 C ATOM 778 C GLN A 771 -14.748 7.098 -1.238 1.00 0.00 C ATOM 779 O GLN A 771 -15.593 6.248 -0.956 1.00 0.00 O ATOM 780 CB GLN A 771 -15.140 9.550 -0.935 1.00 0.00 C ATOM 781 CG GLN A 771 -16.660 9.553 -0.885 1.00 0.00 C ATOM 782 CD GLN A 771 -17.274 10.535 -1.864 1.00 0.00 C ATOM 783 OE1 GLN A 771 -18.268 10.231 -2.523 1.00 0.00 O ATOM 784 NE2 GLN A 771 -16.683 11.719 -1.963 1.00 0.00 N ATOM 0 H GLN A 771 -12.733 9.407 -0.415 1.00 0.00 H new ATOM 0 HA GLN A 771 -14.978 8.098 0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 771 -14.766 10.427 -0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 771 -14.819 9.641 -1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 771 -17.029 8.551 -1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 771 -16.986 9.801 0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 771 -15.861 11.927 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN A 771 -17.051 12.421 -2.605 1.00 0.00 H new ATOM 793 N VAL A 772 -13.986 7.030 -2.325 1.00 0.00 N ATOM 794 CA VAL A 772 -14.108 5.930 -3.270 1.00 0.00 C ATOM 795 C VAL A 772 -13.689 4.617 -2.622 1.00 0.00 C ATOM 796 O VAL A 772 -14.319 3.580 -2.828 1.00 0.00 O ATOM 797 CB VAL A 772 -13.252 6.169 -4.528 1.00 0.00 C ATOM 798 CG1 VAL A 772 -13.534 5.104 -5.577 1.00 0.00 C ATOM 799 CG2 VAL A 772 -13.501 7.560 -5.090 1.00 0.00 C ATOM 0 H VAL A 772 -13.279 7.723 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 772 -15.156 5.874 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 772 -12.201 6.100 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 772 -12.920 5.290 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 772 -13.297 4.121 -5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 772 -14.587 5.137 -5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 772 -12.887 7.709 -5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 772 -14.553 7.662 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 772 -13.242 8.307 -4.340 1.00 0.00 H new ATOM 809 N PHE A 773 -12.623 4.672 -1.830 1.00 0.00 N ATOM 810 CA PHE A 773 -12.125 3.488 -1.145 1.00 0.00 C ATOM 811 C PHE A 773 -13.149 2.985 -0.134 1.00 0.00 C ATOM 812 O PHE A 773 -13.508 1.807 -0.132 1.00 0.00 O ATOM 813 CB PHE A 773 -10.804 3.794 -0.433 1.00 0.00 C ATOM 814 CG PHE A 773 -10.355 2.692 0.486 1.00 0.00 C ATOM 815 CD1 PHE A 773 -10.334 1.376 0.052 1.00 0.00 C ATOM 816 CD2 PHE A 773 -9.967 2.972 1.786 1.00 0.00 C ATOM 817 CE1 PHE A 773 -9.931 0.361 0.897 1.00 0.00 C ATOM 818 CE2 PHE A 773 -9.563 1.961 2.635 1.00 0.00 C ATOM 819 CZ PHE A 773 -9.546 0.653 2.191 1.00 0.00 C ATOM 0 H PHE A 773 -12.090 5.522 -1.648 1.00 0.00 H new ATOM 0 HA PHE A 773 -11.953 2.712 -1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 773 -10.030 3.973 -1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 773 -10.913 4.714 0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -10.636 1.142 -0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -9.981 3.992 2.139 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -9.917 -0.660 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -9.260 2.193 3.646 1.00 0.00 H new ATOM 0 HZ PHE A 773 -9.232 -0.140 2.854 1.00 0.00 H new ATOM 829 N GLU A 774 -13.616 3.888 0.724 1.00 0.00 N ATOM 830 CA GLU A 774 -14.598 3.536 1.743 1.00 0.00 C ATOM 831 C GLU A 774 -15.822 2.889 1.106 1.00 0.00 C ATOM 832 O GLU A 774 -16.355 1.906 1.622 1.00 0.00 O ATOM 833 CB GLU A 774 -15.010 4.779 2.534 1.00 0.00 C ATOM 834 CG GLU A 774 -14.199 4.990 3.801 1.00 0.00 C ATOM 835 CD GLU A 774 -14.269 6.418 4.306 1.00 0.00 C ATOM 836 OE1 GLU A 774 -14.595 7.317 3.503 1.00 0.00 O ATOM 837 OE2 GLU A 774 -13.998 6.638 5.506 1.00 0.00 O ATOM 0 H GLU A 774 -13.330 4.867 0.733 1.00 0.00 H new ATOM 0 HA GLU A 774 -14.143 2.819 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -14.906 5.656 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -16.065 4.699 2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -14.562 4.316 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -13.159 4.726 3.610 1.00 0.00 H new ATOM 844 N ARG A 775 -16.252 3.436 -0.026 1.00 0.00 N ATOM 845 CA ARG A 775 -17.402 2.898 -0.738 1.00 0.00 C ATOM 846 C ARG A 775 -17.121 1.467 -1.185 1.00 0.00 C ATOM 847 O ARG A 775 -17.956 0.576 -1.022 1.00 0.00 O ATOM 848 CB ARG A 775 -17.731 3.766 -1.954 1.00 0.00 C ATOM 849 CG ARG A 775 -18.442 5.063 -1.605 1.00 0.00 C ATOM 850 CD ARG A 775 -18.968 5.760 -2.848 1.00 0.00 C ATOM 851 NE ARG A 775 -20.060 6.679 -2.540 1.00 0.00 N ATOM 852 CZ ARG A 775 -20.765 7.331 -3.463 1.00 0.00 C ATOM 853 NH1 ARG A 775 -20.496 7.165 -4.753 1.00 0.00 N ATOM 854 NH2 ARG A 775 -21.743 8.147 -3.096 1.00 0.00 N ATOM 0 H ARG A 775 -15.822 4.249 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 775 -18.258 2.899 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 775 -16.807 4.000 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG A 775 -18.355 3.193 -2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 775 -19.269 4.855 -0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 775 -17.755 5.725 -1.078 1.00 0.00 H new ATOM 0 HD2 ARG A 775 -18.157 6.309 -3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 775 -19.313 5.014 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 775 -20.297 6.831 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 775 -19.747 6.536 -5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 775 -21.039 7.667 -5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 775 -21.956 8.276 -2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 775 -22.283 8.646 -3.803 1.00 0.00 H new ATOM 868 N HIS A 776 -15.933 1.257 -1.745 1.00 0.00 N ATOM 869 CA HIS A 776 -15.531 -0.062 -2.217 1.00 0.00 C ATOM 870 C HIS A 776 -15.497 -1.066 -1.069 1.00 0.00 C ATOM 871 O HIS A 776 -16.037 -2.166 -1.180 1.00 0.00 O ATOM 872 CB HIS A 776 -14.156 0.014 -2.889 1.00 0.00 C ATOM 873 CG HIS A 776 -13.437 -1.298 -2.941 1.00 0.00 C ATOM 874 ND1 HIS A 776 -13.450 -2.138 -4.031 1.00 0.00 N ATOM 875 CD2 HIS A 776 -12.671 -1.915 -2.003 1.00 0.00 C ATOM 876 CE1 HIS A 776 -12.710 -3.212 -3.729 1.00 0.00 C ATOM 877 NE2 HIS A 776 -12.214 -3.122 -2.512 1.00 0.00 N ATOM 0 H HIS A 776 -15.232 1.985 -1.883 1.00 0.00 H new ATOM 0 HA HIS A 776 -16.267 -0.401 -2.946 1.00 0.00 H new ATOM 0 HB2 HIS A 776 -14.278 0.391 -3.904 1.00 0.00 H new ATOM 0 HB3 HIS A 776 -13.539 0.735 -2.353 1.00 0.00 H new ATOM 0 HD1 HIS A 776 -13.937 -1.972 -4.912 1.00 0.00 H new ATOM 0 HD2 HIS A 776 -12.453 -1.528 -1.019 1.00 0.00 H new ATOM 0 HE1 HIS A 776 -12.542 -4.044 -4.396 1.00 0.00 H new ATOM 885 N VAL A 777 -14.860 -0.684 0.033 1.00 0.00 N ATOM 886 CA VAL A 777 -14.767 -1.566 1.191 1.00 0.00 C ATOM 887 C VAL A 777 -16.147 -1.789 1.796 1.00 0.00 C ATOM 888 O VAL A 777 -16.435 -2.851 2.346 1.00 0.00 O ATOM 889 CB VAL A 777 -13.827 -1.020 2.286 1.00 0.00 C ATOM 890 CG1 VAL A 777 -13.196 -2.166 3.058 1.00 0.00 C ATOM 891 CG2 VAL A 777 -12.750 -0.122 1.700 1.00 0.00 C ATOM 0 H VAL A 777 -14.405 0.221 0.149 1.00 0.00 H new ATOM 0 HA VAL A 777 -14.350 -2.506 0.829 1.00 0.00 H new ATOM 0 HB VAL A 777 -14.426 -0.418 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -12.535 -1.766 3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -13.978 -2.764 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -12.621 -2.792 2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -12.107 0.244 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -12.153 -0.688 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -13.217 0.723 1.194 1.00 0.00 H new ATOM 901 N GLN A 778 -17.000 -0.773 1.684 1.00 0.00 N ATOM 902 CA GLN A 778 -18.356 -0.849 2.211 1.00 0.00 C ATOM 903 C GLN A 778 -19.183 -1.860 1.427 1.00 0.00 C ATOM 904 O GLN A 778 -20.044 -2.540 1.987 1.00 0.00 O ATOM 905 CB GLN A 778 -19.023 0.527 2.161 1.00 0.00 C ATOM 906 CG GLN A 778 -18.716 1.399 3.368 1.00 0.00 C ATOM 907 CD GLN A 778 -19.203 0.789 4.667 1.00 0.00 C ATOM 908 OE1 GLN A 778 -20.307 0.247 4.738 1.00 0.00 O ATOM 909 NE2 GLN A 778 -18.381 0.876 5.707 1.00 0.00 N ATOM 0 H GLN A 778 -16.773 0.113 1.232 1.00 0.00 H new ATOM 0 HA GLN A 778 -18.301 -1.178 3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 778 -18.700 1.045 1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 778 -20.102 0.395 2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 778 -17.640 1.563 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 778 -19.180 2.376 3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 778 -17.475 1.334 5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 778 -18.656 0.485 6.608 1.00 0.00 H new ATOM 918 N THR A 779 -18.918 -1.954 0.128 1.00 0.00 N ATOM 919 CA THR A 779 -19.637 -2.883 -0.730 1.00 0.00 C ATOM 920 C THR A 779 -19.463 -4.319 -0.251 1.00 0.00 C ATOM 921 O THR A 779 -20.311 -5.175 -0.501 1.00 0.00 O ATOM 922 CB THR A 779 -19.156 -2.751 -2.173 1.00 0.00 C ATOM 923 OG1 THR A 779 -17.876 -3.334 -2.332 1.00 0.00 O ATOM 924 CG2 THR A 779 -19.072 -1.317 -2.647 1.00 0.00 C ATOM 0 H THR A 779 -18.210 -1.397 -0.352 1.00 0.00 H new ATOM 0 HA THR A 779 -20.697 -2.634 -0.683 1.00 0.00 H new ATOM 0 HB THR A 779 -19.902 -3.271 -2.774 1.00 0.00 H new ATOM 0 HG1 THR A 779 -17.312 -3.098 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 779 -18.724 -1.295 -3.680 1.00 0.00 H new ATOM 0 HG22 THR A 779 -20.058 -0.855 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 779 -18.374 -0.766 -2.017 1.00 0.00 H new ATOM 932 N HIS A 780 -18.358 -4.574 0.437 1.00 0.00 N ATOM 933 CA HIS A 780 -18.071 -5.906 0.950 1.00 0.00 C ATOM 934 C HIS A 780 -18.789 -6.150 2.274 1.00 0.00 C ATOM 935 O HIS A 780 -19.110 -7.289 2.614 1.00 0.00 O ATOM 936 CB HIS A 780 -16.565 -6.081 1.126 1.00 0.00 C ATOM 937 CG HIS A 780 -15.803 -5.993 -0.158 1.00 0.00 C ATOM 938 ND1 HIS A 780 -15.796 -6.985 -1.113 1.00 0.00 N ATOM 939 CD2 HIS A 780 -15.018 -4.997 -0.647 1.00 0.00 C ATOM 940 CE1 HIS A 780 -15.025 -6.573 -2.127 1.00 0.00 C ATOM 941 NE2 HIS A 780 -14.531 -5.373 -1.894 1.00 0.00 N ATOM 0 H HIS A 780 -17.646 -3.876 0.652 1.00 0.00 H new ATOM 0 HA HIS A 780 -18.436 -6.638 0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 780 -16.196 -5.319 1.812 1.00 0.00 H new ATOM 0 HB3 HIS A 780 -16.371 -7.048 1.590 1.00 0.00 H new ATOM 0 HD1 HIS A 780 -16.290 -7.875 -1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 780 -14.806 -4.063 -0.147 1.00 0.00 H new ATOM 0 HE1 HIS A 780 -14.833 -7.149 -3.020 1.00 0.00 H new ATOM 949 N PHE A 781 -19.041 -5.076 3.017 1.00 0.00 N ATOM 950 CA PHE A 781 -19.722 -5.179 4.302 1.00 0.00 C ATOM 951 C PHE A 781 -21.224 -5.374 4.112 1.00 0.00 C ATOM 952 O PHE A 781 -21.899 -5.937 4.973 1.00 0.00 O ATOM 953 CB PHE A 781 -19.465 -3.928 5.146 1.00 0.00 C ATOM 954 CG PHE A 781 -18.014 -3.539 5.236 1.00 0.00 C ATOM 955 CD1 PHE A 781 -17.013 -4.497 5.173 1.00 0.00 C ATOM 956 CD2 PHE A 781 -17.654 -2.209 5.386 1.00 0.00 C ATOM 957 CE1 PHE A 781 -15.683 -4.134 5.257 1.00 0.00 C ATOM 958 CE2 PHE A 781 -16.324 -1.842 5.471 1.00 0.00 C ATOM 959 CZ PHE A 781 -15.338 -2.806 5.406 1.00 0.00 C ATOM 0 H PHE A 781 -18.784 -4.126 2.751 1.00 0.00 H new ATOM 0 HA PHE A 781 -19.322 -6.049 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 781 -20.028 -3.096 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 781 -19.849 -4.096 6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 781 -17.276 -5.538 5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 781 -18.421 -1.451 5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 781 -14.913 -4.889 5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 781 -16.057 -0.802 5.588 1.00 0.00 H new ATOM 0 HZ PHE A 781 -14.298 -2.521 5.472 1.00 0.00 H new ATOM 969 N ASP A 782 -21.742 -4.902 2.980 1.00 0.00 N ATOM 970 CA ASP A 782 -23.166 -5.023 2.683 1.00 0.00 C ATOM 971 C ASP A 782 -23.448 -6.253 1.823 1.00 0.00 C ATOM 972 O ASP A 782 -24.452 -6.306 1.113 1.00 0.00 O ATOM 973 CB ASP A 782 -23.667 -3.766 1.971 1.00 0.00 C ATOM 974 CG ASP A 782 -23.766 -2.575 2.904 1.00 0.00 C ATOM 975 OD1 ASP A 782 -24.534 -2.652 3.886 1.00 0.00 O ATOM 976 OD2 ASP A 782 -23.076 -1.564 2.652 1.00 0.00 O ATOM 0 H ASP A 782 -21.198 -4.433 2.256 1.00 0.00 H new ATOM 0 HA ASP A 782 -23.697 -5.137 3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 782 -22.994 -3.525 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 782 -24.646 -3.965 1.534 1.00 0.00 H new