USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 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 Single : A 718 SER OG : rot 106:sc= 1.3 USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 721 SER OG : rot 180:sc= 0 USER MOD Single : A 724 SER OG : rot -81:sc= 1.28 USER MOD Single : A 725 ASN : amide:sc= -0.221 K(o=-0.22,f=-0.93) USER MOD Single : A 730 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.8) USER MOD Single : A 733 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 SER OG : rot -39:sc= 0.816 USER MOD Single : A 744 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 746 SER OG : rot 180:sc= 0 USER MOD Single : A 750 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 752 TYR OH : rot 30:sc= -0.0135 USER MOD Single : A 754 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 758 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 762 SER OG : rot 170:sc= -0.112 USER MOD Single : A 768 ASN :FLIP amide:sc= -0.67 F(o=-1.9!,f=-0.67) USER MOD Single : A 769 LYS NZ :NH3+ 152:sc= 2.3 (180deg=2.22) USER MOD Single : A 770 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.13) USER MOD Single : A 775 LYS NZ :NH3+ -160:sc= -0.0435 (180deg=-0.412) USER MOD Single : A 778 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 781 THR OG1 : rot -83:sc= 1.15 USER MOD Single : A 782 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 783 TYR OH : rot 180:sc= 0 USER MOD Single : A 785 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 814 ASN :FLIP amide:sc= 0.148 F(o=-4.6,f=0.15) USER MOD Single : A 816 ASN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : A 817 TYR OH : rot 41:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 137 N PHE A 717 -17.288 0.774 -2.425 1.00 0.00 N ATOM 138 CA PHE A 717 -16.338 -0.280 -2.752 1.00 0.00 C ATOM 139 C PHE A 717 -15.689 -0.690 -1.447 1.00 0.00 C ATOM 140 O PHE A 717 -14.936 0.100 -0.866 1.00 0.00 O ATOM 141 CB PHE A 717 -15.211 0.196 -3.672 1.00 0.00 C ATOM 142 CG PHE A 717 -15.576 0.724 -5.027 1.00 0.00 C ATOM 143 CD1 PHE A 717 -15.842 2.046 -5.197 1.00 0.00 C ATOM 144 CD2 PHE A 717 -15.574 -0.093 -6.135 1.00 0.00 C ATOM 145 CE1 PHE A 717 -16.102 2.572 -6.435 1.00 0.00 C ATOM 146 CE2 PHE A 717 -15.849 0.416 -7.390 1.00 0.00 C ATOM 147 CZ PHE A 717 -16.111 1.763 -7.537 1.00 0.00 C ATOM 0 HA PHE A 717 -16.875 -1.081 -3.261 1.00 0.00 H new ATOM 0 HB2 PHE A 717 -14.661 0.977 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 717 -14.523 -0.637 -3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 717 -15.849 2.697 -4.336 1.00 0.00 H new ATOM 0 HD2 PHE A 717 -15.355 -1.144 -6.022 1.00 0.00 H new ATOM 0 HE1 PHE A 717 -16.300 3.628 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 717 -15.859 -0.236 -8.251 1.00 0.00 H new ATOM 0 HZ PHE A 717 -16.321 2.174 -8.513 1.00 0.00 H new ATOM 157 N SER A 718 -15.967 -1.865 -0.988 1.00 0.00 N ATOM 158 CA SER A 718 -15.474 -2.322 0.286 1.00 0.00 C ATOM 159 C SER A 718 -13.957 -2.516 0.263 1.00 0.00 C ATOM 160 O SER A 718 -13.246 -2.171 1.215 1.00 0.00 O ATOM 161 CB SER A 718 -16.187 -3.627 0.618 1.00 0.00 C ATOM 162 OG SER A 718 -16.164 -4.498 -0.523 1.00 0.00 O ATOM 0 H SER A 718 -16.545 -2.545 -1.482 1.00 0.00 H new ATOM 0 HA SER A 718 -15.678 -1.574 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 718 -15.703 -4.111 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 718 -17.217 -3.425 0.912 1.00 0.00 H new ATOM 0 HG SER A 718 -15.522 -5.223 -0.369 1.00 0.00 H new ATOM 168 N GLU A 719 -13.471 -2.983 -0.862 1.00 0.00 N ATOM 169 CA GLU A 719 -12.091 -3.375 -0.988 1.00 0.00 C ATOM 170 C GLU A 719 -11.151 -2.190 -1.003 1.00 0.00 C ATOM 171 O GLU A 719 -10.122 -2.202 -0.328 1.00 0.00 O ATOM 172 CB GLU A 719 -11.903 -4.230 -2.225 1.00 0.00 C ATOM 173 CG GLU A 719 -12.893 -5.377 -2.301 1.00 0.00 C ATOM 174 CD GLU A 719 -12.961 -6.166 -1.027 1.00 0.00 C ATOM 175 OE1 GLU A 719 -12.001 -6.861 -0.713 1.00 0.00 O ATOM 176 OE2 GLU A 719 -13.986 -6.068 -0.301 1.00 0.00 O ATOM 0 H GLU A 719 -14.021 -3.101 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 719 -11.837 -3.962 -0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 719 -12.008 -3.606 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 719 -10.889 -4.630 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 719 -13.882 -4.983 -2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 719 -12.613 -6.040 -3.120 1.00 0.00 H new ATOM 183 N TYR A 720 -11.512 -1.147 -1.728 1.00 0.00 N ATOM 184 CA TYR A 720 -10.643 0.011 -1.821 1.00 0.00 C ATOM 185 C TYR A 720 -10.476 0.696 -0.481 1.00 0.00 C ATOM 186 O TYR A 720 -9.380 1.152 -0.157 1.00 0.00 O ATOM 187 CB TYR A 720 -11.063 0.990 -2.914 1.00 0.00 C ATOM 188 CG TYR A 720 -10.873 0.454 -4.319 1.00 0.00 C ATOM 189 CD1 TYR A 720 -9.605 0.378 -4.892 1.00 0.00 C ATOM 190 CD2 TYR A 720 -11.949 0.034 -5.071 1.00 0.00 C ATOM 191 CE1 TYR A 720 -9.431 -0.101 -6.178 1.00 0.00 C ATOM 192 CE2 TYR A 720 -11.787 -0.446 -6.349 1.00 0.00 C ATOM 193 CZ TYR A 720 -10.529 -0.517 -6.900 1.00 0.00 C ATOM 194 OH TYR A 720 -10.374 -0.989 -8.188 1.00 0.00 O ATOM 0 H TYR A 720 -12.384 -1.077 -2.252 1.00 0.00 H new ATOM 0 HA TYR A 720 -9.665 -0.367 -2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -12.112 1.250 -2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.489 1.910 -2.805 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -8.745 0.698 -4.323 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.941 0.083 -4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -8.443 -0.149 -6.613 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -12.646 -0.767 -6.919 1.00 0.00 H new ATOM 0 HH TYR A 720 -11.249 -1.241 -8.552 1.00 0.00 H new ATOM 204 N SER A 721 -11.534 0.729 0.311 1.00 0.00 N ATOM 205 CA SER A 721 -11.463 1.302 1.630 1.00 0.00 C ATOM 206 C SER A 721 -10.631 0.398 2.568 1.00 0.00 C ATOM 207 O SER A 721 -9.782 0.889 3.292 1.00 0.00 O ATOM 208 CB SER A 721 -12.872 1.577 2.166 1.00 0.00 C ATOM 209 OG SER A 721 -13.569 2.475 1.283 1.00 0.00 O ATOM 0 H SER A 721 -12.451 0.363 0.056 1.00 0.00 H new ATOM 0 HA SER A 721 -10.949 2.262 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 721 -13.424 0.642 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 721 -12.812 2.010 3.165 1.00 0.00 H new ATOM 0 HG SER A 721 -14.469 2.644 1.632 1.00 0.00 H new ATOM 215 N ARG A 722 -10.841 -0.921 2.485 1.00 0.00 N ATOM 216 CA ARG A 722 -10.062 -1.908 3.266 1.00 0.00 C ATOM 217 C ARG A 722 -8.563 -1.791 3.022 1.00 0.00 C ATOM 218 O ARG A 722 -7.770 -1.703 3.967 1.00 0.00 O ATOM 219 CB ARG A 722 -10.509 -3.331 2.940 1.00 0.00 C ATOM 220 CG ARG A 722 -11.549 -3.906 3.872 1.00 0.00 C ATOM 221 CD ARG A 722 -10.951 -4.181 5.247 1.00 0.00 C ATOM 222 NE ARG A 722 -11.903 -4.861 6.115 1.00 0.00 N ATOM 223 CZ ARG A 722 -11.731 -6.076 6.649 1.00 0.00 C ATOM 224 NH1 ARG A 722 -10.541 -6.679 6.605 1.00 0.00 N ATOM 225 NH2 ARG A 722 -12.728 -6.659 7.290 1.00 0.00 N ATOM 0 H ARG A 722 -11.549 -1.339 1.881 1.00 0.00 H new ATOM 0 HA ARG A 722 -10.254 -1.688 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 722 -10.905 -3.347 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 722 -9.634 -3.981 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 722 -12.384 -3.211 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 722 -11.949 -4.829 3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 722 -10.054 -4.791 5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 722 -10.644 -3.241 5.706 1.00 0.00 H new ATOM 0 HE ARG A 722 -12.771 -4.372 6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 722 -9.750 -6.214 6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 722 -10.423 -7.605 7.016 1.00 0.00 H new ATOM 0 HH21 ARG A 722 -13.626 -6.183 7.377 1.00 0.00 H new ATOM 0 HH22 ARG A 722 -12.600 -7.585 7.698 1.00 0.00 H new ATOM 239 N ILE A 723 -8.180 -1.797 1.770 1.00 0.00 N ATOM 240 CA ILE A 723 -6.780 -1.721 1.401 1.00 0.00 C ATOM 241 C ILE A 723 -6.164 -0.366 1.781 1.00 0.00 C ATOM 242 O ILE A 723 -5.079 -0.309 2.358 1.00 0.00 O ATOM 243 CB ILE A 723 -6.545 -2.050 -0.112 1.00 0.00 C ATOM 244 CG1 ILE A 723 -6.555 -3.564 -0.384 1.00 0.00 C ATOM 245 CG2 ILE A 723 -5.244 -1.455 -0.624 1.00 0.00 C ATOM 246 CD1 ILE A 723 -7.844 -4.303 -0.086 1.00 0.00 C ATOM 0 H ILE A 723 -8.821 -1.854 0.979 1.00 0.00 H new ATOM 0 HA ILE A 723 -6.265 -2.490 1.977 1.00 0.00 H new ATOM 0 HB ILE A 723 -7.377 -1.595 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 723 -6.308 -3.722 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 723 -5.758 -4.020 0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 723 -5.119 -1.706 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 723 -5.270 -0.371 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 723 -4.409 -1.860 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 723 -7.720 -5.360 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE A 723 -8.092 -4.192 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 723 -8.649 -3.889 -0.693 1.00 0.00 H new ATOM 258 N SER A 724 -6.852 0.710 1.475 1.00 0.00 N ATOM 259 CA SER A 724 -6.332 2.032 1.825 1.00 0.00 C ATOM 260 C SER A 724 -6.241 2.214 3.347 1.00 0.00 C ATOM 261 O SER A 724 -5.304 2.843 3.849 1.00 0.00 O ATOM 262 CB SER A 724 -7.132 3.158 1.156 1.00 0.00 C ATOM 263 OG SER A 724 -8.515 3.057 1.445 1.00 0.00 O ATOM 0 H SER A 724 -7.753 0.710 0.996 1.00 0.00 H new ATOM 0 HA SER A 724 -5.317 2.096 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 724 -6.758 4.123 1.497 1.00 0.00 H new ATOM 0 HB3 SER A 724 -6.981 3.121 0.077 1.00 0.00 H new ATOM 0 HG SER A 724 -8.926 2.396 0.850 1.00 0.00 H new ATOM 269 N ASN A 725 -7.194 1.623 4.071 1.00 0.00 N ATOM 270 CA ASN A 725 -7.200 1.663 5.529 1.00 0.00 C ATOM 271 C ASN A 725 -5.965 0.932 6.055 1.00 0.00 C ATOM 272 O ASN A 725 -5.303 1.411 6.952 1.00 0.00 O ATOM 273 CB ASN A 725 -8.481 1.027 6.089 1.00 0.00 C ATOM 274 CG ASN A 725 -8.670 1.285 7.569 1.00 0.00 C ATOM 275 OD1 ASN A 725 -8.253 2.324 8.096 1.00 0.00 O ATOM 276 ND2 ASN A 725 -9.318 0.378 8.248 1.00 0.00 N ATOM 0 H ASN A 725 -7.975 1.108 3.665 1.00 0.00 H new ATOM 0 HA ASN A 725 -7.175 2.702 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 725 -9.341 1.416 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 725 -8.453 -0.048 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 725 -9.494 0.515 9.243 1.00 0.00 H new ATOM 0 HD22 ASN A 725 -9.649 -0.468 7.783 1.00 0.00 H new ATOM 283 N LEU A 726 -5.646 -0.207 5.423 1.00 0.00 N ATOM 284 CA LEU A 726 -4.428 -0.995 5.693 1.00 0.00 C ATOM 285 C LEU A 726 -3.188 -0.124 5.578 1.00 0.00 C ATOM 286 O LEU A 726 -2.342 -0.151 6.454 1.00 0.00 O ATOM 287 CB LEU A 726 -4.433 -2.265 4.747 1.00 0.00 C ATOM 288 CG LEU A 726 -3.124 -2.953 4.258 1.00 0.00 C ATOM 289 CD1 LEU A 726 -2.408 -2.180 3.171 1.00 0.00 C ATOM 290 CD2 LEU A 726 -2.201 -3.221 5.379 1.00 0.00 C ATOM 0 H LEU A 726 -6.235 -0.616 4.697 1.00 0.00 H new ATOM 0 HA LEU A 726 -4.413 -1.361 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 726 -5.015 -3.032 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 726 -4.990 -1.985 3.853 1.00 0.00 H new ATOM 0 HG LEU A 726 -3.441 -3.900 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 726 -1.505 -2.716 2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 726 -3.064 -2.074 2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 726 -2.138 -1.192 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 726 -1.299 -3.701 5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 726 -1.936 -2.282 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 726 -2.686 -3.878 6.101 1.00 0.00 H new ATOM 302 N ILE A 727 -3.127 0.681 4.554 1.00 0.00 N ATOM 303 CA ILE A 727 -1.989 1.556 4.343 1.00 0.00 C ATOM 304 C ILE A 727 -1.852 2.582 5.456 1.00 0.00 C ATOM 305 O ILE A 727 -0.756 2.753 6.021 1.00 0.00 O ATOM 306 CB ILE A 727 -2.010 2.217 2.926 1.00 0.00 C ATOM 307 CG1 ILE A 727 -1.485 1.233 1.874 1.00 0.00 C ATOM 308 CG2 ILE A 727 -1.238 3.538 2.870 1.00 0.00 C ATOM 309 CD1 ILE A 727 -0.045 0.800 2.125 1.00 0.00 C ATOM 0 H ILE A 727 -3.854 0.755 3.843 1.00 0.00 H new ATOM 0 HA ILE A 727 -1.096 0.932 4.379 1.00 0.00 H new ATOM 0 HB ILE A 727 -3.049 2.461 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 727 -2.126 0.351 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 727 -1.553 1.694 0.889 1.00 0.00 H new ATOM 0 HG21 ILE A 727 -1.290 3.947 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 727 -1.678 4.247 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 727 -0.196 3.362 3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 727 0.267 0.104 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 727 0.605 1.675 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 727 0.024 0.311 3.097 1.00 0.00 H new ATOM 321 N VAL A 728 -2.948 3.204 5.803 1.00 0.00 N ATOM 322 CA VAL A 728 -2.936 4.216 6.824 1.00 0.00 C ATOM 323 C VAL A 728 -2.638 3.586 8.198 1.00 0.00 C ATOM 324 O VAL A 728 -1.767 4.059 8.927 1.00 0.00 O ATOM 325 CB VAL A 728 -4.272 5.013 6.861 1.00 0.00 C ATOM 326 CG1 VAL A 728 -4.230 6.108 7.909 1.00 0.00 C ATOM 327 CG2 VAL A 728 -4.584 5.611 5.494 1.00 0.00 C ATOM 0 H VAL A 728 -3.864 3.026 5.391 1.00 0.00 H new ATOM 0 HA VAL A 728 -2.143 4.923 6.582 1.00 0.00 H new ATOM 0 HB VAL A 728 -5.064 4.313 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 728 -5.178 6.647 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 728 -4.063 5.666 8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 728 -3.420 6.800 7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 728 -5.522 6.163 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 728 -3.780 6.286 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 728 -4.673 4.811 4.759 1.00 0.00 H new ATOM 337 N LEU A 729 -3.329 2.493 8.506 1.00 0.00 N ATOM 338 CA LEU A 729 -3.164 1.769 9.770 1.00 0.00 C ATOM 339 C LEU A 729 -1.770 1.234 9.932 1.00 0.00 C ATOM 340 O LEU A 729 -1.197 1.346 11.008 1.00 0.00 O ATOM 341 CB LEU A 729 -4.146 0.619 9.881 1.00 0.00 C ATOM 342 CG LEU A 729 -5.605 0.988 10.068 1.00 0.00 C ATOM 343 CD1 LEU A 729 -6.448 -0.251 9.897 1.00 0.00 C ATOM 344 CD2 LEU A 729 -5.838 1.586 11.453 1.00 0.00 C ATOM 0 H LEU A 729 -4.024 2.079 7.885 1.00 0.00 H new ATOM 0 HA LEU A 729 -3.359 2.491 10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 729 -4.061 0.010 8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 729 -3.843 -0.008 10.719 1.00 0.00 H new ATOM 0 HG LEU A 729 -5.883 1.735 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 729 -7.500 0.003 10.030 1.00 0.00 H new ATOM 0 HD12 LEU A 729 -6.297 -0.659 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 729 -6.158 -0.994 10.640 1.00 0.00 H new ATOM 0 HD21 LEU A 729 -6.891 1.844 11.566 1.00 0.00 H new ATOM 0 HD22 LEU A 729 -5.559 0.858 12.215 1.00 0.00 H new ATOM 0 HD23 LEU A 729 -5.231 2.484 11.569 1.00 0.00 H new ATOM 356 N HIS A 730 -1.233 0.644 8.870 1.00 0.00 N ATOM 357 CA HIS A 730 0.120 0.117 8.887 1.00 0.00 C ATOM 358 C HIS A 730 1.082 1.219 9.259 1.00 0.00 C ATOM 359 O HIS A 730 1.825 1.083 10.216 1.00 0.00 O ATOM 360 CB HIS A 730 0.490 -0.497 7.526 1.00 0.00 C ATOM 361 CG HIS A 730 1.900 -1.014 7.431 1.00 0.00 C ATOM 362 ND1 HIS A 730 2.933 -0.326 6.828 1.00 0.00 N ATOM 363 CD2 HIS A 730 2.429 -2.179 7.859 1.00 0.00 C ATOM 364 CE1 HIS A 730 4.029 -1.083 6.904 1.00 0.00 C ATOM 365 NE2 HIS A 730 3.777 -2.223 7.524 1.00 0.00 N ATOM 0 H HIS A 730 -1.720 0.520 7.983 1.00 0.00 H new ATOM 0 HA HIS A 730 0.182 -0.677 9.631 1.00 0.00 H new ATOM 0 HB2 HIS A 730 -0.198 -1.316 7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 730 0.340 0.255 6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 730 1.889 -2.956 8.380 1.00 0.00 H new ATOM 0 HE1 HIS A 730 4.995 -0.802 6.511 1.00 0.00 H new ATOM 0 HE2 HIS A 730 4.435 -2.978 7.717 1.00 0.00 H new ATOM 373 N LEU A 731 1.019 2.326 8.532 1.00 0.00 N ATOM 374 CA LEU A 731 1.867 3.469 8.821 1.00 0.00 C ATOM 375 C LEU A 731 1.671 3.959 10.263 1.00 0.00 C ATOM 376 O LEU A 731 2.648 4.181 10.962 1.00 0.00 O ATOM 377 CB LEU A 731 1.647 4.586 7.801 1.00 0.00 C ATOM 378 CG LEU A 731 2.409 5.899 8.040 1.00 0.00 C ATOM 379 CD1 LEU A 731 3.907 5.656 8.110 1.00 0.00 C ATOM 380 CD2 LEU A 731 2.089 6.888 6.939 1.00 0.00 C ATOM 0 H LEU A 731 0.390 2.455 7.739 1.00 0.00 H new ATOM 0 HA LEU A 731 2.906 3.150 8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 731 1.922 4.207 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 731 0.581 4.812 7.769 1.00 0.00 H new ATOM 0 HG LEU A 731 2.090 6.312 8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 731 4.421 6.602 8.280 1.00 0.00 H new ATOM 0 HD12 LEU A 731 4.127 4.971 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 731 4.249 5.220 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 731 2.632 7.816 7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 731 2.386 6.470 5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 731 1.018 7.090 6.932 1.00 0.00 H new ATOM 392 N ARG A 732 0.408 4.066 10.700 1.00 0.00 N ATOM 393 CA ARG A 732 0.080 4.465 12.084 1.00 0.00 C ATOM 394 C ARG A 732 0.793 3.580 13.102 1.00 0.00 C ATOM 395 O ARG A 732 1.408 4.077 14.043 1.00 0.00 O ATOM 396 CB ARG A 732 -1.433 4.414 12.356 1.00 0.00 C ATOM 397 CG ARG A 732 -2.258 5.470 11.649 1.00 0.00 C ATOM 398 CD ARG A 732 -3.738 5.298 11.961 1.00 0.00 C ATOM 399 NE ARG A 732 -4.560 6.337 11.329 1.00 0.00 N ATOM 400 CZ ARG A 732 -5.898 6.331 11.247 1.00 0.00 C ATOM 401 NH1 ARG A 732 -6.612 5.418 11.892 1.00 0.00 N ATOM 402 NH2 ARG A 732 -6.517 7.284 10.572 1.00 0.00 N ATOM 0 H ARG A 732 -0.408 3.882 10.116 1.00 0.00 H new ATOM 0 HA ARG A 732 0.423 5.494 12.192 1.00 0.00 H new ATOM 0 HB2 ARG A 732 -1.804 3.432 12.064 1.00 0.00 H new ATOM 0 HB3 ARG A 732 -1.595 4.510 13.430 1.00 0.00 H new ATOM 0 HG2 ARG A 732 -1.929 6.462 11.958 1.00 0.00 H new ATOM 0 HG3 ARG A 732 -2.098 5.403 10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 732 -4.068 4.317 11.619 1.00 0.00 H new ATOM 0 HD3 ARG A 732 -3.886 5.326 13.041 1.00 0.00 H new ATOM 0 HE ARG A 732 -4.071 7.132 10.917 1.00 0.00 H new ATOM 0 HH11 ARG A 732 -6.143 4.710 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 732 -7.630 5.423 11.822 1.00 0.00 H new ATOM 0 HH21 ARG A 732 -5.977 8.020 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 732 -7.535 7.284 10.507 1.00 0.00 H new ATOM 416 N LYS A 733 0.715 2.279 12.898 1.00 0.00 N ATOM 417 CA LYS A 733 1.347 1.318 13.792 1.00 0.00 C ATOM 418 C LYS A 733 2.864 1.433 13.714 1.00 0.00 C ATOM 419 O LYS A 733 3.543 1.548 14.731 1.00 0.00 O ATOM 420 CB LYS A 733 0.921 -0.119 13.440 1.00 0.00 C ATOM 421 CG LYS A 733 -0.570 -0.393 13.577 1.00 0.00 C ATOM 422 CD LYS A 733 -0.912 -1.813 13.155 1.00 0.00 C ATOM 423 CE LYS A 733 -2.398 -2.101 13.304 1.00 0.00 C ATOM 424 NZ LYS A 733 -2.740 -3.492 12.922 1.00 0.00 N ATOM 0 H LYS A 733 0.216 1.857 12.115 1.00 0.00 H new ATOM 0 HA LYS A 733 1.023 1.543 14.808 1.00 0.00 H new ATOM 0 HB2 LYS A 733 1.223 -0.332 12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 733 1.464 -0.812 14.082 1.00 0.00 H new ATOM 0 HG2 LYS A 733 -0.878 -0.235 14.611 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -1.130 0.315 12.966 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -0.614 -1.966 12.118 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -0.342 -2.519 13.758 1.00 0.00 H new ATOM 0 HE2 LYS A 733 -2.699 -1.925 14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -2.965 -1.406 12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 -3.762 -3.643 13.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -2.478 -3.654 11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -2.220 -4.157 13.530 1.00 0.00 H new ATOM 438 N VAL A 734 3.379 1.462 12.503 1.00 0.00 N ATOM 439 CA VAL A 734 4.799 1.477 12.268 1.00 0.00 C ATOM 440 C VAL A 734 5.470 2.731 12.819 1.00 0.00 C ATOM 441 O VAL A 734 6.468 2.626 13.533 1.00 0.00 O ATOM 442 CB VAL A 734 5.130 1.295 10.774 1.00 0.00 C ATOM 443 CG1 VAL A 734 6.604 1.400 10.538 1.00 0.00 C ATOM 444 CG2 VAL A 734 4.647 -0.048 10.288 1.00 0.00 C ATOM 0 H VAL A 734 2.817 1.476 11.652 1.00 0.00 H new ATOM 0 HA VAL A 734 5.206 0.626 12.814 1.00 0.00 H new ATOM 0 HB VAL A 734 4.623 2.087 10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 734 6.813 1.268 9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 734 6.955 2.381 10.858 1.00 0.00 H new ATOM 0 HG13 VAL A 734 7.120 0.627 11.108 1.00 0.00 H new ATOM 0 HG21 VAL A 734 4.888 -0.161 9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 734 5.135 -0.838 10.858 1.00 0.00 H new ATOM 0 HG23 VAL A 734 3.568 -0.117 10.423 1.00 0.00 H new ATOM 454 N GLU A 735 4.908 3.900 12.539 1.00 0.00 N ATOM 455 CA GLU A 735 5.503 5.156 12.993 1.00 0.00 C ATOM 456 C GLU A 735 5.462 5.240 14.517 1.00 0.00 C ATOM 457 O GLU A 735 6.329 5.845 15.137 1.00 0.00 O ATOM 458 CB GLU A 735 4.803 6.376 12.375 1.00 0.00 C ATOM 459 CG GLU A 735 3.367 6.562 12.831 1.00 0.00 C ATOM 460 CD GLU A 735 2.731 7.806 12.290 1.00 0.00 C ATOM 461 OE1 GLU A 735 3.274 8.917 12.519 1.00 0.00 O ATOM 462 OE2 GLU A 735 1.643 7.721 11.688 1.00 0.00 O ATOM 0 H GLU A 735 4.047 4.008 12.003 1.00 0.00 H new ATOM 0 HA GLU A 735 6.541 5.168 12.660 1.00 0.00 H new ATOM 0 HB2 GLU A 735 5.371 7.272 12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 735 4.819 6.280 11.289 1.00 0.00 H new ATOM 0 HG2 GLU A 735 2.780 5.698 12.521 1.00 0.00 H new ATOM 0 HG3 GLU A 735 3.340 6.592 13.920 1.00 0.00 H new ATOM 469 N GLU A 736 4.464 4.599 15.096 1.00 0.00 N ATOM 470 CA GLU A 736 4.277 4.574 16.519 1.00 0.00 C ATOM 471 C GLU A 736 5.322 3.654 17.169 1.00 0.00 C ATOM 472 O GLU A 736 5.990 4.033 18.141 1.00 0.00 O ATOM 473 CB GLU A 736 2.858 4.071 16.834 1.00 0.00 C ATOM 474 CG GLU A 736 2.456 4.131 18.297 1.00 0.00 C ATOM 475 CD GLU A 736 2.331 5.539 18.817 1.00 0.00 C ATOM 476 OE1 GLU A 736 3.333 6.099 19.310 1.00 0.00 O ATOM 477 OE2 GLU A 736 1.222 6.102 18.766 1.00 0.00 O ATOM 0 H GLU A 736 3.757 4.078 14.578 1.00 0.00 H new ATOM 0 HA GLU A 736 4.401 5.579 16.921 1.00 0.00 H new ATOM 0 HB2 GLU A 736 2.146 4.658 16.255 1.00 0.00 H new ATOM 0 HB3 GLU A 736 2.772 3.039 16.493 1.00 0.00 H new ATOM 0 HG2 GLU A 736 1.504 3.616 18.428 1.00 0.00 H new ATOM 0 HG3 GLU A 736 3.194 3.594 18.893 1.00 0.00 H new ATOM 484 N GLU A 737 5.492 2.478 16.601 1.00 0.00 N ATOM 485 CA GLU A 737 6.359 1.475 17.182 1.00 0.00 C ATOM 486 C GLU A 737 7.832 1.607 16.765 1.00 0.00 C ATOM 487 O GLU A 737 8.701 1.797 17.616 1.00 0.00 O ATOM 488 CB GLU A 737 5.862 0.067 16.834 1.00 0.00 C ATOM 489 CG GLU A 737 4.423 -0.215 17.236 1.00 0.00 C ATOM 490 CD GLU A 737 4.167 -0.020 18.707 1.00 0.00 C ATOM 491 OE1 GLU A 737 4.507 -0.922 19.507 1.00 0.00 O ATOM 492 OE2 GLU A 737 3.609 1.016 19.091 1.00 0.00 O ATOM 0 H GLU A 737 5.038 2.193 15.733 1.00 0.00 H new ATOM 0 HA GLU A 737 6.317 1.642 18.258 1.00 0.00 H new ATOM 0 HB2 GLU A 737 5.961 -0.083 15.759 1.00 0.00 H new ATOM 0 HB3 GLU A 737 6.510 -0.663 17.319 1.00 0.00 H new ATOM 0 HG2 GLU A 737 3.760 0.438 16.669 1.00 0.00 H new ATOM 0 HG3 GLU A 737 4.171 -1.240 16.963 1.00 0.00 H new ATOM 499 N GLU A 738 8.101 1.548 15.473 1.00 0.00 N ATOM 500 CA GLU A 738 9.474 1.388 14.984 1.00 0.00 C ATOM 501 C GLU A 738 9.976 2.543 14.094 1.00 0.00 C ATOM 502 O GLU A 738 11.135 2.523 13.647 1.00 0.00 O ATOM 503 CB GLU A 738 9.559 0.059 14.249 1.00 0.00 C ATOM 504 CG GLU A 738 8.583 -0.046 13.096 1.00 0.00 C ATOM 505 CD GLU A 738 8.505 -1.422 12.522 1.00 0.00 C ATOM 506 OE1 GLU A 738 9.462 -1.853 11.876 1.00 0.00 O ATOM 507 OE2 GLU A 738 7.466 -2.091 12.698 1.00 0.00 O ATOM 0 H GLU A 738 7.395 1.608 14.739 1.00 0.00 H new ATOM 0 HA GLU A 738 10.135 1.407 15.850 1.00 0.00 H new ATOM 0 HB2 GLU A 738 10.573 -0.077 13.872 1.00 0.00 H new ATOM 0 HB3 GLU A 738 9.369 -0.751 14.953 1.00 0.00 H new ATOM 0 HG2 GLU A 738 7.593 0.256 13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 738 8.878 0.652 12.313 1.00 0.00 H new ATOM 514 N ASP A 739 9.100 3.506 13.808 1.00 0.00 N ATOM 515 CA ASP A 739 9.430 4.746 13.036 1.00 0.00 C ATOM 516 C ASP A 739 9.659 4.517 11.527 1.00 0.00 C ATOM 517 O ASP A 739 8.904 5.034 10.697 1.00 0.00 O ATOM 518 CB ASP A 739 10.624 5.509 13.648 1.00 0.00 C ATOM 519 CG ASP A 739 10.993 6.751 12.864 1.00 0.00 C ATOM 520 OD1 ASP A 739 10.378 7.823 13.070 1.00 0.00 O ATOM 521 OD2 ASP A 739 11.917 6.688 12.031 1.00 0.00 O ATOM 0 H ASP A 739 8.124 3.465 14.101 1.00 0.00 H new ATOM 0 HA ASP A 739 8.534 5.361 13.120 1.00 0.00 H new ATOM 0 HB2 ASP A 739 10.382 5.791 14.673 1.00 0.00 H new ATOM 0 HB3 ASP A 739 11.487 4.845 13.695 1.00 0.00 H new ATOM 526 N GLU A 740 10.682 3.736 11.194 1.00 0.00 N ATOM 527 CA GLU A 740 11.112 3.483 9.836 1.00 0.00 C ATOM 528 C GLU A 740 10.125 2.609 9.101 1.00 0.00 C ATOM 529 O GLU A 740 10.165 1.380 9.155 1.00 0.00 O ATOM 530 CB GLU A 740 12.523 2.883 9.793 1.00 0.00 C ATOM 531 CG GLU A 740 13.595 3.795 10.366 1.00 0.00 C ATOM 532 CD GLU A 740 14.974 3.179 10.328 1.00 0.00 C ATOM 533 OE1 GLU A 740 15.582 3.107 9.227 1.00 0.00 O ATOM 534 OE2 GLU A 740 15.481 2.760 11.385 1.00 0.00 O ATOM 0 H GLU A 740 11.248 3.249 11.889 1.00 0.00 H new ATOM 0 HA GLU A 740 11.150 4.444 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 740 12.525 1.943 10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 740 12.775 2.646 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 740 13.605 4.731 9.807 1.00 0.00 H new ATOM 0 HG3 GLU A 740 13.341 4.042 11.397 1.00 0.00 H new ATOM 541 N SER A 741 9.229 3.269 8.473 1.00 0.00 N ATOM 542 CA SER A 741 8.165 2.657 7.698 1.00 0.00 C ATOM 543 C SER A 741 8.594 2.355 6.259 1.00 0.00 C ATOM 544 O SER A 741 7.755 2.005 5.405 1.00 0.00 O ATOM 545 CB SER A 741 6.907 3.549 7.732 1.00 0.00 C ATOM 546 OG SER A 741 5.812 2.932 7.067 1.00 0.00 O ATOM 0 H SER A 741 9.195 4.288 8.470 1.00 0.00 H new ATOM 0 HA SER A 741 7.929 1.697 8.157 1.00 0.00 H new ATOM 0 HB2 SER A 741 6.635 3.757 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 741 7.127 4.507 7.261 1.00 0.00 H new ATOM 0 HG SER A 741 6.135 2.467 6.267 1.00 0.00 H new ATOM 552 N ALA A 742 9.870 2.472 5.990 1.00 0.00 N ATOM 553 CA ALA A 742 10.391 2.160 4.689 1.00 0.00 C ATOM 554 C ALA A 742 10.590 0.657 4.568 1.00 0.00 C ATOM 555 O ALA A 742 11.616 0.112 4.989 1.00 0.00 O ATOM 556 CB ALA A 742 11.676 2.912 4.436 1.00 0.00 C ATOM 0 H ALA A 742 10.570 2.784 6.663 1.00 0.00 H new ATOM 0 HA ALA A 742 9.677 2.475 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 742 12.055 2.662 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 742 11.487 3.984 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 742 12.415 2.633 5.188 1.00 0.00 H new ATOM 562 N LEU A 743 9.590 -0.007 4.046 1.00 0.00 N ATOM 563 CA LEU A 743 9.583 -1.454 3.965 1.00 0.00 C ATOM 564 C LEU A 743 9.297 -1.910 2.541 1.00 0.00 C ATOM 565 O LEU A 743 8.886 -1.106 1.680 1.00 0.00 O ATOM 566 CB LEU A 743 8.534 -2.051 4.931 1.00 0.00 C ATOM 567 CG LEU A 743 8.707 -1.744 6.435 1.00 0.00 C ATOM 568 CD1 LEU A 743 7.581 -2.371 7.235 1.00 0.00 C ATOM 569 CD2 LEU A 743 10.053 -2.243 6.954 1.00 0.00 C ATOM 0 H LEU A 743 8.755 0.437 3.664 1.00 0.00 H new ATOM 0 HA LEU A 743 10.570 -1.812 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 743 7.550 -1.695 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 743 8.535 -3.134 4.804 1.00 0.00 H new ATOM 0 HG LEU A 743 8.675 -0.661 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 743 7.717 -2.146 8.293 1.00 0.00 H new ATOM 0 HD12 LEU A 743 6.626 -1.967 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 743 7.589 -3.451 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 743 10.142 -2.011 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 743 10.121 -3.321 6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 743 10.858 -1.753 6.406 1.00 0.00 H new ATOM 581 N LYS A 744 9.488 -3.184 2.310 1.00 0.00 N ATOM 582 CA LYS A 744 9.303 -3.808 1.007 1.00 0.00 C ATOM 583 C LYS A 744 7.830 -3.853 0.609 1.00 0.00 C ATOM 584 O LYS A 744 6.957 -4.026 1.456 1.00 0.00 O ATOM 585 CB LYS A 744 9.906 -5.214 1.021 1.00 0.00 C ATOM 586 CG LYS A 744 11.417 -5.235 1.277 1.00 0.00 C ATOM 587 CD LYS A 744 12.176 -4.494 0.189 1.00 0.00 C ATOM 588 CE LYS A 744 12.085 -5.225 -1.125 1.00 0.00 C ATOM 589 NZ LYS A 744 12.558 -4.411 -2.237 1.00 0.00 N ATOM 0 H LYS A 744 9.783 -3.839 3.034 1.00 0.00 H new ATOM 0 HA LYS A 744 9.818 -3.204 0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 744 9.408 -5.805 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 744 9.702 -5.697 0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 744 11.630 -4.780 2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 744 11.765 -6.267 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 744 11.771 -3.488 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 744 13.221 -4.387 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 744 12.672 -6.142 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 744 11.051 -5.519 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 744 12.478 -4.952 -3.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 744 11.982 -3.548 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 744 13.553 -4.151 -2.079 1.00 0.00 H new ATOM 603 N ARG A 745 7.565 -3.707 -0.683 1.00 0.00 N ATOM 604 CA ARG A 745 6.196 -3.656 -1.196 1.00 0.00 C ATOM 605 C ARG A 745 5.497 -4.994 -1.065 1.00 0.00 C ATOM 606 O ARG A 745 4.386 -5.070 -0.542 1.00 0.00 O ATOM 607 CB ARG A 745 6.152 -3.199 -2.661 1.00 0.00 C ATOM 608 CG ARG A 745 6.712 -1.805 -2.950 1.00 0.00 C ATOM 609 CD ARG A 745 6.010 -0.702 -2.147 1.00 0.00 C ATOM 610 NE ARG A 745 6.472 -0.630 -0.745 1.00 0.00 N ATOM 611 CZ ARG A 745 5.845 0.002 0.254 1.00 0.00 C ATOM 612 NH1 ARG A 745 4.630 0.537 0.059 1.00 0.00 N ATOM 613 NH2 ARG A 745 6.428 0.089 1.440 1.00 0.00 N ATOM 0 H ARG A 745 8.284 -3.621 -1.402 1.00 0.00 H new ATOM 0 HA ARG A 745 5.669 -2.923 -0.585 1.00 0.00 H new ATOM 0 HB2 ARG A 745 6.704 -3.922 -3.262 1.00 0.00 H new ATOM 0 HB3 ARG A 745 5.116 -3.229 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 745 7.778 -1.792 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 745 6.612 -1.592 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 745 6.183 0.259 -2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 745 4.934 -0.877 -2.161 1.00 0.00 H new ATOM 0 HE ARG A 745 7.346 -1.104 -0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 745 4.181 0.463 -0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 745 4.156 1.018 0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 745 7.349 -0.324 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 745 5.956 0.569 2.206 1.00 0.00 H new ATOM 627 N SER A 746 6.167 -6.040 -1.501 1.00 0.00 N ATOM 628 CA SER A 746 5.614 -7.383 -1.472 1.00 0.00 C ATOM 629 C SER A 746 5.348 -7.819 -0.021 1.00 0.00 C ATOM 630 O SER A 746 4.382 -8.529 0.258 1.00 0.00 O ATOM 631 CB SER A 746 6.574 -8.347 -2.194 1.00 0.00 C ATOM 632 OG SER A 746 6.071 -9.672 -2.269 1.00 0.00 O ATOM 0 H SER A 746 7.110 -5.986 -1.886 1.00 0.00 H new ATOM 0 HA SER A 746 4.658 -7.400 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 746 6.762 -7.977 -3.202 1.00 0.00 H new ATOM 0 HB3 SER A 746 7.532 -8.356 -1.674 1.00 0.00 H new ATOM 0 HG SER A 746 6.717 -10.241 -2.737 1.00 0.00 H new ATOM 638 N GLU A 747 6.179 -7.331 0.889 1.00 0.00 N ATOM 639 CA GLU A 747 6.071 -7.610 2.309 1.00 0.00 C ATOM 640 C GLU A 747 4.761 -7.062 2.893 1.00 0.00 C ATOM 641 O GLU A 747 4.133 -7.713 3.740 1.00 0.00 O ATOM 642 CB GLU A 747 7.296 -7.054 3.028 1.00 0.00 C ATOM 643 CG GLU A 747 7.317 -7.292 4.516 1.00 0.00 C ATOM 644 CD GLU A 747 8.674 -7.053 5.097 1.00 0.00 C ATOM 645 OE1 GLU A 747 9.511 -7.995 5.095 1.00 0.00 O ATOM 646 OE2 GLU A 747 8.947 -5.946 5.580 1.00 0.00 O ATOM 0 H GLU A 747 6.961 -6.719 0.654 1.00 0.00 H new ATOM 0 HA GLU A 747 6.042 -8.689 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 747 8.190 -7.499 2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 747 7.352 -5.981 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 747 6.594 -6.635 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 747 7.007 -8.316 4.725 1.00 0.00 H new ATOM 653 N LEU A 748 4.342 -5.893 2.413 1.00 0.00 N ATOM 654 CA LEU A 748 3.055 -5.302 2.810 1.00 0.00 C ATOM 655 C LEU A 748 1.922 -6.249 2.469 1.00 0.00 C ATOM 656 O LEU A 748 1.076 -6.566 3.310 1.00 0.00 O ATOM 657 CB LEU A 748 2.823 -3.950 2.102 1.00 0.00 C ATOM 658 CG LEU A 748 3.202 -2.669 2.862 1.00 0.00 C ATOM 659 CD1 LEU A 748 2.292 -2.485 4.056 1.00 0.00 C ATOM 660 CD2 LEU A 748 4.660 -2.682 3.300 1.00 0.00 C ATOM 0 H LEU A 748 4.872 -5.331 1.747 1.00 0.00 H new ATOM 0 HA LEU A 748 3.081 -5.132 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 748 3.382 -3.962 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 748 1.766 -3.885 1.842 1.00 0.00 H new ATOM 0 HG LEU A 748 3.074 -1.827 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 748 2.569 -1.575 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 748 1.259 -2.408 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 748 2.392 -3.340 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 748 4.888 -1.759 3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 748 4.835 -3.534 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 748 5.303 -2.762 2.423 1.00 0.00 H new ATOM 672 N VAL A 749 1.948 -6.730 1.243 1.00 0.00 N ATOM 673 CA VAL A 749 0.939 -7.640 0.747 1.00 0.00 C ATOM 674 C VAL A 749 1.020 -8.953 1.512 1.00 0.00 C ATOM 675 O VAL A 749 0.004 -9.512 1.912 1.00 0.00 O ATOM 676 CB VAL A 749 1.143 -7.939 -0.758 1.00 0.00 C ATOM 677 CG1 VAL A 749 0.014 -8.782 -1.296 1.00 0.00 C ATOM 678 CG2 VAL A 749 1.276 -6.666 -1.563 1.00 0.00 C ATOM 0 H VAL A 749 2.671 -6.500 0.562 1.00 0.00 H new ATOM 0 HA VAL A 749 -0.034 -7.169 0.887 1.00 0.00 H new ATOM 0 HB VAL A 749 2.074 -8.498 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 749 0.180 -8.979 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 749 -0.026 -9.726 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 749 -0.929 -8.251 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 749 1.418 -6.914 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 749 0.372 -6.068 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 749 2.134 -6.097 -1.205 1.00 0.00 H new ATOM 688 N ASN A 750 2.248 -9.388 1.740 1.00 0.00 N ATOM 689 CA ASN A 750 2.566 -10.647 2.404 1.00 0.00 C ATOM 690 C ASN A 750 1.854 -10.747 3.744 1.00 0.00 C ATOM 691 O ASN A 750 1.020 -11.649 3.951 1.00 0.00 O ATOM 692 CB ASN A 750 4.098 -10.777 2.594 1.00 0.00 C ATOM 693 CG ASN A 750 4.530 -12.122 3.175 1.00 0.00 C ATOM 694 OD1 ASN A 750 3.866 -13.146 2.982 1.00 0.00 O ATOM 695 ND2 ASN A 750 5.653 -12.141 3.859 1.00 0.00 N ATOM 0 H ASN A 750 3.076 -8.862 1.461 1.00 0.00 H new ATOM 0 HA ASN A 750 2.219 -11.466 1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 750 4.589 -10.632 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 750 4.443 -9.979 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 750 5.999 -13.018 4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 750 6.178 -11.278 4.001 1.00 0.00 H new ATOM 702 N TRP A 751 2.105 -9.785 4.631 1.00 0.00 N ATOM 703 CA TRP A 751 1.491 -9.855 5.945 1.00 0.00 C ATOM 704 C TRP A 751 -0.002 -9.604 5.847 1.00 0.00 C ATOM 705 O TRP A 751 -0.768 -10.183 6.592 1.00 0.00 O ATOM 706 CB TRP A 751 2.155 -8.929 7.025 1.00 0.00 C ATOM 707 CG TRP A 751 1.869 -7.434 6.936 1.00 0.00 C ATOM 708 CD1 TRP A 751 2.690 -6.467 6.443 1.00 0.00 C ATOM 709 CD2 TRP A 751 0.677 -6.746 7.393 1.00 0.00 C ATOM 710 NE1 TRP A 751 2.089 -5.233 6.564 1.00 0.00 N ATOM 711 CE2 TRP A 751 0.849 -5.386 7.133 1.00 0.00 C ATOM 712 CE3 TRP A 751 -0.520 -7.164 7.986 1.00 0.00 C ATOM 713 CZ2 TRP A 751 -0.135 -4.440 7.452 1.00 0.00 C ATOM 714 CZ3 TRP A 751 -1.487 -6.233 8.293 1.00 0.00 C ATOM 715 CH2 TRP A 751 -1.287 -4.885 8.022 1.00 0.00 C ATOM 0 H TRP A 751 2.707 -8.978 4.469 1.00 0.00 H new ATOM 0 HA TRP A 751 1.666 -10.870 6.301 1.00 0.00 H new ATOM 0 HB2 TRP A 751 1.836 -9.275 8.008 1.00 0.00 H new ATOM 0 HB3 TRP A 751 3.235 -9.070 6.972 1.00 0.00 H new ATOM 0 HD1 TRP A 751 3.668 -6.641 6.019 1.00 0.00 H new ATOM 0 HE1 TRP A 751 2.501 -4.345 6.276 1.00 0.00 H new ATOM 0 HE3 TRP A 751 -0.684 -8.210 8.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 751 0.017 -3.390 7.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 751 -2.411 -6.554 8.750 1.00 0.00 H new ATOM 0 HH2 TRP A 751 -2.063 -4.175 8.269 1.00 0.00 H new ATOM 726 N TYR A 752 -0.407 -8.776 4.879 1.00 0.00 N ATOM 727 CA TYR A 752 -1.805 -8.394 4.719 1.00 0.00 C ATOM 728 C TYR A 752 -2.652 -9.629 4.519 1.00 0.00 C ATOM 729 O TYR A 752 -3.603 -9.865 5.258 1.00 0.00 O ATOM 730 CB TYR A 752 -1.980 -7.414 3.535 1.00 0.00 C ATOM 731 CG TYR A 752 -3.381 -6.825 3.402 1.00 0.00 C ATOM 732 CD1 TYR A 752 -4.038 -6.306 4.514 1.00 0.00 C ATOM 733 CD2 TYR A 752 -4.053 -6.788 2.171 1.00 0.00 C ATOM 734 CE1 TYR A 752 -5.299 -5.771 4.415 1.00 0.00 C ATOM 735 CE2 TYR A 752 -5.312 -6.249 2.074 1.00 0.00 C ATOM 736 CZ TYR A 752 -5.934 -5.742 3.203 1.00 0.00 C ATOM 737 OH TYR A 752 -7.195 -5.199 3.114 1.00 0.00 O ATOM 0 H TYR A 752 0.221 -8.358 4.193 1.00 0.00 H new ATOM 0 HA TYR A 752 -2.132 -7.882 5.624 1.00 0.00 H new ATOM 0 HB2 TYR A 752 -1.266 -6.598 3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 752 -1.729 -7.933 2.610 1.00 0.00 H new ATOM 0 HD1 TYR A 752 -3.546 -6.324 5.475 1.00 0.00 H new ATOM 0 HD2 TYR A 752 -3.574 -7.188 1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 752 -5.789 -5.374 5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 752 -5.816 -6.220 1.119 1.00 0.00 H new ATOM 0 HH TYR A 752 -7.298 -4.498 3.791 1.00 0.00 H new ATOM 747 N LEU A 753 -2.235 -10.451 3.583 1.00 0.00 N ATOM 748 CA LEU A 753 -2.938 -11.668 3.229 1.00 0.00 C ATOM 749 C LEU A 753 -2.920 -12.649 4.394 1.00 0.00 C ATOM 750 O LEU A 753 -3.910 -13.304 4.680 1.00 0.00 O ATOM 751 CB LEU A 753 -2.253 -12.314 2.037 1.00 0.00 C ATOM 752 CG LEU A 753 -2.038 -11.425 0.819 1.00 0.00 C ATOM 753 CD1 LEU A 753 -1.183 -12.148 -0.191 1.00 0.00 C ATOM 754 CD2 LEU A 753 -3.363 -10.971 0.204 1.00 0.00 C ATOM 0 H LEU A 753 -1.387 -10.293 3.038 1.00 0.00 H new ATOM 0 HA LEU A 753 -3.970 -11.418 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 753 -1.283 -12.690 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 753 -2.843 -13.178 1.730 1.00 0.00 H new ATOM 0 HG LEU A 753 -1.519 -10.522 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 753 -1.030 -11.510 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 753 -0.218 -12.390 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 753 -1.681 -13.068 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 753 -3.165 -10.339 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 753 -3.937 -11.843 -0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 753 -3.932 -10.406 0.942 1.00 0.00 H new ATOM 766 N LYS A 754 -1.785 -12.735 5.053 1.00 0.00 N ATOM 767 CA LYS A 754 -1.577 -13.672 6.167 1.00 0.00 C ATOM 768 C LYS A 754 -2.356 -13.306 7.423 1.00 0.00 C ATOM 769 O LYS A 754 -2.806 -14.174 8.178 1.00 0.00 O ATOM 770 CB LYS A 754 -0.086 -13.774 6.468 1.00 0.00 C ATOM 771 CG LYS A 754 0.704 -14.444 5.362 1.00 0.00 C ATOM 772 CD LYS A 754 0.203 -15.845 5.145 1.00 0.00 C ATOM 773 CE LYS A 754 0.917 -16.554 4.021 1.00 0.00 C ATOM 774 NZ LYS A 754 0.431 -17.947 3.869 1.00 0.00 N ATOM 0 H LYS A 754 -0.969 -12.161 4.841 1.00 0.00 H new ATOM 0 HA LYS A 754 -1.965 -14.640 5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 754 0.313 -12.774 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 754 0.053 -14.332 7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 754 0.613 -13.870 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 754 1.763 -14.464 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 754 0.326 -16.416 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 754 -0.865 -15.815 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 754 0.764 -16.009 3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 754 1.990 -16.560 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 754 0.940 -18.409 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 754 0.599 -18.472 4.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 754 -0.588 -17.938 3.660 1.00 0.00 H new ATOM 788 N GLU A 755 -2.519 -12.061 7.629 1.00 0.00 N ATOM 789 CA GLU A 755 -3.193 -11.576 8.813 1.00 0.00 C ATOM 790 C GLU A 755 -4.699 -11.589 8.653 1.00 0.00 C ATOM 791 O GLU A 755 -5.427 -11.923 9.589 1.00 0.00 O ATOM 792 CB GLU A 755 -2.703 -10.182 9.218 1.00 0.00 C ATOM 793 CG GLU A 755 -1.248 -10.128 9.682 1.00 0.00 C ATOM 794 CD GLU A 755 -1.006 -10.853 10.974 1.00 0.00 C ATOM 795 OE1 GLU A 755 -0.820 -12.088 10.976 1.00 0.00 O ATOM 796 OE2 GLU A 755 -0.998 -10.203 12.025 1.00 0.00 O ATOM 0 H GLU A 755 -2.197 -11.330 6.995 1.00 0.00 H new ATOM 0 HA GLU A 755 -2.939 -12.266 9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 755 -2.825 -9.508 8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 755 -3.340 -9.806 10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 755 -0.612 -10.558 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 755 -0.950 -9.086 9.798 1.00 0.00 H new ATOM 803 N ILE A 756 -5.183 -11.238 7.484 1.00 0.00 N ATOM 804 CA ILE A 756 -6.627 -11.160 7.286 1.00 0.00 C ATOM 805 C ILE A 756 -7.208 -12.479 6.827 1.00 0.00 C ATOM 806 O ILE A 756 -8.418 -12.617 6.746 1.00 0.00 O ATOM 807 CB ILE A 756 -7.037 -10.075 6.268 1.00 0.00 C ATOM 808 CG1 ILE A 756 -6.508 -10.435 4.873 1.00 0.00 C ATOM 809 CG2 ILE A 756 -6.542 -8.702 6.721 1.00 0.00 C ATOM 810 CD1 ILE A 756 -6.891 -9.478 3.791 1.00 0.00 C ATOM 0 H ILE A 756 -4.619 -11.005 6.667 1.00 0.00 H new ATOM 0 HA ILE A 756 -7.029 -10.897 8.265 1.00 0.00 H new ATOM 0 HB ILE A 756 -8.125 -10.029 6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 756 -5.421 -10.496 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 756 -6.872 -11.427 4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 756 -6.840 -7.949 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 756 -6.977 -8.460 7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 756 -5.455 -8.716 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 756 -6.472 -9.815 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 756 -7.977 -9.433 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 756 -6.503 -8.487 4.028 1.00 0.00 H new ATOM 822 N GLU A 757 -6.353 -13.454 6.531 1.00 0.00 N ATOM 823 CA GLU A 757 -6.813 -14.742 6.006 1.00 0.00 C ATOM 824 C GLU A 757 -7.799 -15.445 6.944 1.00 0.00 C ATOM 825 O GLU A 757 -8.614 -16.252 6.502 1.00 0.00 O ATOM 826 CB GLU A 757 -5.664 -15.674 5.629 1.00 0.00 C ATOM 827 CG GLU A 757 -4.851 -16.214 6.783 1.00 0.00 C ATOM 828 CD GLU A 757 -4.013 -17.387 6.354 1.00 0.00 C ATOM 829 OE1 GLU A 757 -3.025 -17.211 5.619 1.00 0.00 O ATOM 830 OE2 GLU A 757 -4.369 -18.526 6.690 1.00 0.00 O ATOM 0 H GLU A 757 -5.342 -13.380 6.644 1.00 0.00 H new ATOM 0 HA GLU A 757 -7.349 -14.501 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 757 -6.072 -16.517 5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 757 -4.994 -15.140 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 757 -4.207 -15.428 7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 757 -5.517 -16.515 7.591 1.00 0.00 H new ATOM 837 N SER A 758 -7.742 -15.105 8.218 1.00 0.00 N ATOM 838 CA SER A 758 -8.634 -15.651 9.212 1.00 0.00 C ATOM 839 C SER A 758 -10.106 -15.278 8.905 1.00 0.00 C ATOM 840 O SER A 758 -11.022 -16.038 9.202 1.00 0.00 O ATOM 841 CB SER A 758 -8.215 -15.116 10.568 1.00 0.00 C ATOM 842 OG SER A 758 -6.805 -15.247 10.716 1.00 0.00 O ATOM 0 H SER A 758 -7.068 -14.436 8.591 1.00 0.00 H new ATOM 0 HA SER A 758 -8.572 -16.739 9.204 1.00 0.00 H new ATOM 0 HB2 SER A 758 -8.506 -14.070 10.663 1.00 0.00 H new ATOM 0 HB3 SER A 758 -8.727 -15.663 11.360 1.00 0.00 H new ATOM 0 HG SER A 758 -6.534 -14.900 11.591 1.00 0.00 H new ATOM 848 N GLU A 759 -10.321 -14.126 8.259 1.00 0.00 N ATOM 849 CA GLU A 759 -11.673 -13.695 7.917 1.00 0.00 C ATOM 850 C GLU A 759 -11.948 -13.977 6.440 1.00 0.00 C ATOM 851 O GLU A 759 -12.993 -13.605 5.901 1.00 0.00 O ATOM 852 CB GLU A 759 -11.896 -12.194 8.210 1.00 0.00 C ATOM 853 CG GLU A 759 -11.108 -11.245 7.312 1.00 0.00 C ATOM 854 CD GLU A 759 -11.451 -9.796 7.537 1.00 0.00 C ATOM 855 OE1 GLU A 759 -12.564 -9.367 7.160 1.00 0.00 O ATOM 856 OE2 GLU A 759 -10.610 -9.040 8.061 1.00 0.00 O ATOM 0 H GLU A 759 -9.583 -13.485 7.967 1.00 0.00 H new ATOM 0 HA GLU A 759 -12.365 -14.260 8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 759 -12.958 -11.972 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 759 -11.628 -11.997 9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 759 -10.042 -11.391 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 759 -11.298 -11.499 6.269 1.00 0.00 H new ATOM 863 N ILE A 760 -11.024 -14.633 5.795 1.00 0.00 N ATOM 864 CA ILE A 760 -11.159 -14.936 4.396 1.00 0.00 C ATOM 865 C ILE A 760 -11.746 -16.324 4.237 1.00 0.00 C ATOM 866 O ILE A 760 -11.061 -17.329 4.413 1.00 0.00 O ATOM 867 CB ILE A 760 -9.799 -14.813 3.647 1.00 0.00 C ATOM 868 CG1 ILE A 760 -9.242 -13.377 3.739 1.00 0.00 C ATOM 869 CG2 ILE A 760 -9.914 -15.243 2.199 1.00 0.00 C ATOM 870 CD1 ILE A 760 -10.154 -12.306 3.164 1.00 0.00 C ATOM 0 H ILE A 760 -10.161 -14.971 6.220 1.00 0.00 H new ATOM 0 HA ILE A 760 -11.833 -14.208 3.946 1.00 0.00 H new ATOM 0 HB ILE A 760 -9.100 -15.488 4.141 1.00 0.00 H new ATOM 0 HG12 ILE A 760 -9.045 -13.144 4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 760 -8.285 -13.339 3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 760 -8.944 -15.142 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 760 -10.237 -16.283 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 760 -10.643 -14.613 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 760 -9.682 -11.330 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 760 -10.332 -12.508 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 760 -11.104 -12.311 3.699 1.00 0.00 H new ATOM 882 N ASP A 761 -13.031 -16.363 3.975 1.00 0.00 N ATOM 883 CA ASP A 761 -13.752 -17.620 3.810 1.00 0.00 C ATOM 884 C ASP A 761 -13.938 -17.961 2.346 1.00 0.00 C ATOM 885 O ASP A 761 -14.417 -19.046 2.002 1.00 0.00 O ATOM 886 CB ASP A 761 -15.120 -17.557 4.499 1.00 0.00 C ATOM 887 CG ASP A 761 -16.015 -16.459 3.966 1.00 0.00 C ATOM 888 OD1 ASP A 761 -16.751 -16.677 3.001 1.00 0.00 O ATOM 889 OD2 ASP A 761 -15.986 -15.347 4.524 1.00 0.00 O ATOM 0 H ASP A 761 -13.612 -15.531 3.869 1.00 0.00 H new ATOM 0 HA ASP A 761 -13.152 -18.401 4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 761 -15.623 -18.516 4.378 1.00 0.00 H new ATOM 0 HB3 ASP A 761 -14.973 -17.407 5.569 1.00 0.00 H new ATOM 894 N SER A 762 -13.543 -17.064 1.490 1.00 0.00 N ATOM 895 CA SER A 762 -13.694 -17.246 0.071 1.00 0.00 C ATOM 896 C SER A 762 -12.371 -17.002 -0.601 1.00 0.00 C ATOM 897 O SER A 762 -11.682 -16.029 -0.276 1.00 0.00 O ATOM 898 CB SER A 762 -14.743 -16.267 -0.478 1.00 0.00 C ATOM 899 OG SER A 762 -14.876 -16.376 -1.885 1.00 0.00 O ATOM 0 H SER A 762 -13.105 -16.182 1.755 1.00 0.00 H new ATOM 0 HA SER A 762 -14.026 -18.265 -0.129 1.00 0.00 H new ATOM 0 HB2 SER A 762 -15.706 -16.462 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 762 -14.461 -15.247 -0.217 1.00 0.00 H new ATOM 0 HG SER A 762 -15.656 -15.862 -2.181 1.00 0.00 H new ATOM 905 N GLU A 763 -12.012 -17.863 -1.541 1.00 0.00 N ATOM 906 CA GLU A 763 -10.776 -17.698 -2.269 1.00 0.00 C ATOM 907 C GLU A 763 -10.889 -16.466 -3.154 1.00 0.00 C ATOM 908 O GLU A 763 -9.897 -15.803 -3.443 1.00 0.00 O ATOM 909 CB GLU A 763 -10.449 -18.932 -3.114 1.00 0.00 C ATOM 910 CG GLU A 763 -8.985 -19.009 -3.538 1.00 0.00 C ATOM 911 CD GLU A 763 -8.049 -19.302 -2.368 1.00 0.00 C ATOM 912 OE1 GLU A 763 -8.195 -18.705 -1.281 1.00 0.00 O ATOM 913 OE2 GLU A 763 -7.173 -20.187 -2.501 1.00 0.00 O ATOM 0 H GLU A 763 -12.561 -18.679 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 763 -9.963 -17.573 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 763 -10.703 -19.828 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 763 -11.077 -18.930 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 763 -8.870 -19.786 -4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 763 -8.695 -18.067 -4.003 1.00 0.00 H new ATOM 920 N GLU A 764 -12.132 -16.128 -3.527 1.00 0.00 N ATOM 921 CA GLU A 764 -12.391 -14.958 -4.340 1.00 0.00 C ATOM 922 C GLU A 764 -11.950 -13.723 -3.601 1.00 0.00 C ATOM 923 O GLU A 764 -11.287 -12.876 -4.168 1.00 0.00 O ATOM 924 CB GLU A 764 -13.862 -14.858 -4.729 1.00 0.00 C ATOM 925 CG GLU A 764 -14.310 -15.918 -5.713 1.00 0.00 C ATOM 926 CD GLU A 764 -13.558 -15.830 -7.018 1.00 0.00 C ATOM 927 OE1 GLU A 764 -13.651 -14.786 -7.705 1.00 0.00 O ATOM 928 OE2 GLU A 764 -12.854 -16.796 -7.387 1.00 0.00 O ATOM 0 H GLU A 764 -12.966 -16.657 -3.272 1.00 0.00 H new ATOM 0 HA GLU A 764 -11.820 -15.048 -5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 764 -14.472 -14.931 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 764 -14.048 -13.874 -5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 764 -14.162 -16.905 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 764 -15.378 -15.810 -5.902 1.00 0.00 H new ATOM 935 N GLU A 765 -12.277 -13.667 -2.308 1.00 0.00 N ATOM 936 CA GLU A 765 -11.857 -12.580 -1.435 1.00 0.00 C ATOM 937 C GLU A 765 -10.369 -12.422 -1.427 1.00 0.00 C ATOM 938 O GLU A 765 -9.865 -11.317 -1.530 1.00 0.00 O ATOM 939 CB GLU A 765 -12.326 -12.818 -0.016 1.00 0.00 C ATOM 940 CG GLU A 765 -13.747 -12.451 0.213 1.00 0.00 C ATOM 941 CD GLU A 765 -13.947 -10.969 0.036 1.00 0.00 C ATOM 942 OE1 GLU A 765 -13.359 -10.191 0.815 1.00 0.00 O ATOM 943 OE2 GLU A 765 -14.657 -10.560 -0.904 1.00 0.00 O ATOM 0 H GLU A 765 -12.841 -14.377 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 765 -12.309 -11.669 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 765 -12.187 -13.871 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 765 -11.698 -12.245 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 765 -14.385 -12.995 -0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 765 -14.047 -12.746 1.218 1.00 0.00 H new ATOM 950 N LEU A 766 -9.683 -13.531 -1.320 1.00 0.00 N ATOM 951 CA LEU A 766 -8.233 -13.547 -1.250 1.00 0.00 C ATOM 952 C LEU A 766 -7.617 -13.057 -2.562 1.00 0.00 C ATOM 953 O LEU A 766 -6.796 -12.132 -2.562 1.00 0.00 O ATOM 954 CB LEU A 766 -7.745 -14.954 -0.920 1.00 0.00 C ATOM 955 CG LEU A 766 -6.251 -15.113 -0.643 1.00 0.00 C ATOM 956 CD1 LEU A 766 -5.818 -14.247 0.537 1.00 0.00 C ATOM 957 CD2 LEU A 766 -5.939 -16.561 -0.365 1.00 0.00 C ATOM 0 H LEU A 766 -10.111 -14.456 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 766 -7.916 -12.868 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 766 -8.293 -15.308 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 766 -8.009 -15.609 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 766 -5.698 -14.785 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 766 -4.750 -14.379 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 766 -6.022 -13.200 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 766 -6.372 -14.543 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 766 -4.873 -16.672 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 766 -6.506 -16.895 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 766 -6.213 -17.165 -1.230 1.00 0.00 H new ATOM 969 N ILE A 767 -8.050 -13.650 -3.667 1.00 0.00 N ATOM 970 CA ILE A 767 -7.568 -13.285 -5.003 1.00 0.00 C ATOM 971 C ILE A 767 -7.889 -11.813 -5.289 1.00 0.00 C ATOM 972 O ILE A 767 -7.035 -11.047 -5.738 1.00 0.00 O ATOM 973 CB ILE A 767 -8.204 -14.196 -6.097 1.00 0.00 C ATOM 974 CG1 ILE A 767 -7.853 -15.667 -5.823 1.00 0.00 C ATOM 975 CG2 ILE A 767 -7.721 -13.790 -7.489 1.00 0.00 C ATOM 976 CD1 ILE A 767 -8.548 -16.653 -6.733 1.00 0.00 C ATOM 0 H ILE A 767 -8.744 -14.397 -3.668 1.00 0.00 H new ATOM 0 HA ILE A 767 -6.488 -13.430 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 767 -9.287 -14.074 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 767 -6.775 -15.796 -5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 767 -8.108 -15.903 -4.790 1.00 0.00 H new ATOM 0 HG21 ILE A 767 -8.178 -14.439 -8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 767 -8.004 -12.756 -7.685 1.00 0.00 H new ATOM 0 HG23 ILE A 767 -6.636 -13.885 -7.540 1.00 0.00 H new ATOM 0 HD11 ILE A 767 -8.244 -17.666 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 767 -9.628 -16.557 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 767 -8.274 -16.448 -7.768 1.00 0.00 H new ATOM 988 N ASN A 768 -9.113 -11.429 -4.984 1.00 0.00 N ATOM 989 CA ASN A 768 -9.576 -10.052 -5.120 1.00 0.00 C ATOM 990 C ASN A 768 -8.742 -9.099 -4.285 1.00 0.00 C ATOM 991 O ASN A 768 -8.307 -8.061 -4.776 1.00 0.00 O ATOM 992 CB ASN A 768 -11.065 -9.950 -4.738 1.00 0.00 C ATOM 993 CG ASN A 768 -11.484 -8.566 -4.290 1.00 0.00 C ATOM 994 OD1 ASN A 768 -11.472 -8.370 -2.989 1.00 0.00 O flip ATOM 995 ND2 ASN A 768 -11.845 -7.706 -5.101 1.00 0.00 N flip ATOM 0 H ASN A 768 -9.826 -12.067 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 768 -9.460 -9.760 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 768 -11.672 -10.244 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 768 -11.276 -10.660 -3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 768 -11.835 -7.911 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 768 -12.153 -6.791 -4.771 1.00 0.00 H new ATOM 1002 N LYS A 769 -8.498 -9.476 -3.041 1.00 0.00 N ATOM 1003 CA LYS A 769 -7.747 -8.658 -2.101 1.00 0.00 C ATOM 1004 C LYS A 769 -6.362 -8.419 -2.665 1.00 0.00 C ATOM 1005 O LYS A 769 -5.867 -7.300 -2.649 1.00 0.00 O ATOM 1006 CB LYS A 769 -7.623 -9.384 -0.763 1.00 0.00 C ATOM 1007 CG LYS A 769 -7.640 -8.473 0.456 1.00 0.00 C ATOM 1008 CD LYS A 769 -9.032 -7.872 0.723 1.00 0.00 C ATOM 1009 CE LYS A 769 -10.074 -8.967 1.015 1.00 0.00 C ATOM 1010 NZ LYS A 769 -11.417 -8.425 1.282 1.00 0.00 N ATOM 0 H LYS A 769 -8.817 -10.363 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 769 -8.263 -7.710 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 769 -8.440 -10.100 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 769 -6.695 -9.956 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 769 -7.317 -9.037 1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 769 -6.921 -7.666 0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 769 -8.977 -7.186 1.568 1.00 0.00 H new ATOM 0 HD3 LYS A 769 -9.349 -7.288 -0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 769 -10.125 -9.648 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 769 -9.747 -9.553 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 769 -12.135 -9.126 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 769 -11.510 -8.212 2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 769 -11.556 -7.554 0.731 1.00 0.00 H new ATOM 1024 N LYS A 770 -5.781 -9.486 -3.212 1.00 0.00 N ATOM 1025 CA LYS A 770 -4.457 -9.457 -3.813 1.00 0.00 C ATOM 1026 C LYS A 770 -4.448 -8.519 -5.025 1.00 0.00 C ATOM 1027 O LYS A 770 -3.522 -7.740 -5.194 1.00 0.00 O ATOM 1028 CB LYS A 770 -4.040 -10.887 -4.205 1.00 0.00 C ATOM 1029 CG LYS A 770 -2.647 -11.354 -3.725 1.00 0.00 C ATOM 1030 CD LYS A 770 -1.501 -11.128 -4.731 1.00 0.00 C ATOM 1031 CE LYS A 770 -1.128 -9.673 -4.963 1.00 0.00 C ATOM 1032 NZ LYS A 770 0.003 -9.563 -5.909 1.00 0.00 N ATOM 0 H LYS A 770 -6.225 -10.403 -3.248 1.00 0.00 H new ATOM 0 HA LYS A 770 -3.735 -9.074 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 770 -4.786 -11.579 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 770 -4.071 -10.966 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 770 -2.405 -10.833 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 770 -2.698 -12.417 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 770 -0.618 -11.662 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 770 -1.783 -11.572 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 770 -1.989 -9.131 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 770 -0.861 -9.206 -4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 770 0.404 -8.605 -5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 770 0.735 -10.258 -5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 770 -0.333 -9.749 -6.875 1.00 0.00 H new ATOM 1046 N ARG A 771 -5.496 -8.581 -5.836 1.00 0.00 N ATOM 1047 CA ARG A 771 -5.625 -7.700 -7.005 1.00 0.00 C ATOM 1048 C ARG A 771 -5.684 -6.245 -6.571 1.00 0.00 C ATOM 1049 O ARG A 771 -4.957 -5.404 -7.088 1.00 0.00 O ATOM 1050 CB ARG A 771 -6.893 -8.018 -7.802 1.00 0.00 C ATOM 1051 CG ARG A 771 -6.924 -9.381 -8.449 1.00 0.00 C ATOM 1052 CD ARG A 771 -8.268 -9.619 -9.110 1.00 0.00 C ATOM 1053 NE ARG A 771 -8.347 -10.921 -9.762 1.00 0.00 N ATOM 1054 CZ ARG A 771 -9.438 -11.697 -9.803 1.00 0.00 C ATOM 1055 NH1 ARG A 771 -10.573 -11.313 -9.192 1.00 0.00 N ATOM 1056 NH2 ARG A 771 -9.396 -12.853 -10.452 1.00 0.00 N ATOM 0 H ARG A 771 -6.273 -9.230 -5.712 1.00 0.00 H new ATOM 0 HA ARG A 771 -4.751 -7.869 -7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 771 -7.752 -7.930 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG A 771 -7.013 -7.263 -8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 771 -6.128 -9.458 -9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 771 -6.738 -10.151 -7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 771 -9.056 -9.543 -8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 771 -8.451 -8.836 -9.846 1.00 0.00 H new ATOM 0 HE ARG A 771 -7.506 -11.268 -10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 771 -10.608 -10.424 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 771 -11.399 -11.910 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 771 -8.536 -13.146 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 771 -10.223 -13.449 -10.487 1.00 0.00 H new ATOM 1070 N ILE A 772 -6.530 -5.975 -5.598 1.00 0.00 N ATOM 1071 CA ILE A 772 -6.755 -4.627 -5.115 1.00 0.00 C ATOM 1072 C ILE A 772 -5.505 -4.051 -4.457 1.00 0.00 C ATOM 1073 O ILE A 772 -5.096 -2.939 -4.789 1.00 0.00 O ATOM 1074 CB ILE A 772 -7.962 -4.552 -4.136 1.00 0.00 C ATOM 1075 CG1 ILE A 772 -9.256 -5.056 -4.817 1.00 0.00 C ATOM 1076 CG2 ILE A 772 -8.159 -3.123 -3.613 1.00 0.00 C ATOM 1077 CD1 ILE A 772 -9.672 -4.277 -6.055 1.00 0.00 C ATOM 0 H ILE A 772 -7.083 -6.686 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 772 -6.994 -4.021 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 772 -7.742 -5.200 -3.288 1.00 0.00 H new ATOM 0 HG12 ILE A 772 -9.121 -6.102 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 772 -10.069 -5.019 -4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 772 -9.009 -3.099 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 772 -7.261 -2.802 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 772 -8.347 -2.452 -4.451 1.00 0.00 H new ATOM 0 HD11 ILE A 772 -10.589 -4.703 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 772 -9.844 -3.234 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 772 -8.882 -4.334 -6.803 1.00 0.00 H new ATOM 1089 N ILE A 773 -4.881 -4.814 -3.560 1.00 0.00 N ATOM 1090 CA ILE A 773 -3.684 -4.341 -2.880 1.00 0.00 C ATOM 1091 C ILE A 773 -2.565 -4.062 -3.896 1.00 0.00 C ATOM 1092 O ILE A 773 -1.892 -3.043 -3.816 1.00 0.00 O ATOM 1093 CB ILE A 773 -3.207 -5.313 -1.725 1.00 0.00 C ATOM 1094 CG1 ILE A 773 -2.010 -4.747 -0.959 1.00 0.00 C ATOM 1095 CG2 ILE A 773 -2.871 -6.692 -2.236 1.00 0.00 C ATOM 1096 CD1 ILE A 773 -2.295 -3.451 -0.243 1.00 0.00 C ATOM 0 H ILE A 773 -5.183 -5.751 -3.292 1.00 0.00 H new ATOM 0 HA ILE A 773 -3.940 -3.403 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 773 -4.053 -5.397 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 773 -1.676 -5.486 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 773 -1.187 -4.591 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 773 -2.549 -7.320 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 773 -3.752 -7.132 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 773 -2.068 -6.622 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 773 -1.396 -3.116 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 773 -2.599 -2.695 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 773 -3.096 -3.604 0.481 1.00 0.00 H new ATOM 1108 N GLU A 774 -2.451 -4.934 -4.894 1.00 0.00 N ATOM 1109 CA GLU A 774 -1.459 -4.801 -5.944 1.00 0.00 C ATOM 1110 C GLU A 774 -1.734 -3.528 -6.754 1.00 0.00 C ATOM 1111 O GLU A 774 -0.835 -2.728 -6.989 1.00 0.00 O ATOM 1112 CB GLU A 774 -1.522 -6.028 -6.857 1.00 0.00 C ATOM 1113 CG GLU A 774 -0.386 -6.148 -7.852 1.00 0.00 C ATOM 1114 CD GLU A 774 0.952 -6.291 -7.171 1.00 0.00 C ATOM 1115 OE1 GLU A 774 1.146 -7.265 -6.420 1.00 0.00 O ATOM 1116 OE2 GLU A 774 1.845 -5.458 -7.401 1.00 0.00 O ATOM 0 H GLU A 774 -3.049 -5.754 -4.993 1.00 0.00 H new ATOM 0 HA GLU A 774 -0.465 -4.731 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 774 -1.536 -6.923 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 774 -2.464 -6.006 -7.405 1.00 0.00 H new ATOM 0 HG2 GLU A 774 -0.558 -7.010 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 774 -0.373 -5.268 -8.495 1.00 0.00 H new ATOM 1123 N LYS A 775 -2.996 -3.331 -7.133 1.00 0.00 N ATOM 1124 CA LYS A 775 -3.397 -2.161 -7.903 1.00 0.00 C ATOM 1125 C LYS A 775 -3.224 -0.869 -7.141 1.00 0.00 C ATOM 1126 O LYS A 775 -2.879 0.151 -7.725 1.00 0.00 O ATOM 1127 CB LYS A 775 -4.813 -2.295 -8.434 1.00 0.00 C ATOM 1128 CG LYS A 775 -4.886 -3.252 -9.588 1.00 0.00 C ATOM 1129 CD LYS A 775 -6.289 -3.420 -10.107 1.00 0.00 C ATOM 1130 CE LYS A 775 -6.283 -4.315 -11.323 1.00 0.00 C ATOM 1131 NZ LYS A 775 -5.583 -3.690 -12.465 1.00 0.00 N ATOM 0 H LYS A 775 -3.760 -3.972 -6.917 1.00 0.00 H new ATOM 0 HA LYS A 775 -2.720 -2.117 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 775 -5.470 -2.638 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 775 -5.177 -1.317 -8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 775 -4.244 -2.895 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 775 -4.498 -4.222 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 775 -6.924 -3.849 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 775 -6.711 -2.448 -10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 775 -5.801 -5.261 -11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 775 -7.309 -4.546 -11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 775 -5.879 -4.152 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 775 -5.821 -2.678 -12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 775 -4.556 -3.799 -12.345 1.00 0.00 H new ATOM 1145 N VAL A 776 -3.448 -0.902 -5.844 1.00 0.00 N ATOM 1146 CA VAL A 776 -3.242 0.279 -5.033 1.00 0.00 C ATOM 1147 C VAL A 776 -1.749 0.587 -4.913 1.00 0.00 C ATOM 1148 O VAL A 776 -1.354 1.735 -4.992 1.00 0.00 O ATOM 1149 CB VAL A 776 -3.936 0.184 -3.642 1.00 0.00 C ATOM 1150 CG1 VAL A 776 -3.596 1.390 -2.762 1.00 0.00 C ATOM 1151 CG2 VAL A 776 -5.447 0.104 -3.828 1.00 0.00 C ATOM 0 H VAL A 776 -3.769 -1.724 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 776 -3.722 1.115 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 776 -3.571 -0.715 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 776 -4.097 1.291 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 776 -2.518 1.435 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 776 -3.931 2.304 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 776 -5.931 0.038 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 776 -5.797 0.996 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 776 -5.695 -0.779 -4.417 1.00 0.00 H new ATOM 1161 N ILE A 777 -0.921 -0.447 -4.782 1.00 0.00 N ATOM 1162 CA ILE A 777 0.533 -0.256 -4.753 1.00 0.00 C ATOM 1163 C ILE A 777 1.009 0.264 -6.122 1.00 0.00 C ATOM 1164 O ILE A 777 1.900 1.129 -6.210 1.00 0.00 O ATOM 1165 CB ILE A 777 1.289 -1.566 -4.368 1.00 0.00 C ATOM 1166 CG1 ILE A 777 0.885 -2.008 -2.953 1.00 0.00 C ATOM 1167 CG2 ILE A 777 2.809 -1.366 -4.449 1.00 0.00 C ATOM 1168 CD1 ILE A 777 1.469 -3.338 -2.528 1.00 0.00 C ATOM 0 H ILE A 777 -1.224 -1.417 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 777 0.763 0.480 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 777 1.012 -2.345 -5.078 1.00 0.00 H new ATOM 0 HG12 ILE A 777 1.198 -1.243 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 777 -0.202 -2.068 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 777 3.313 -2.293 -4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 777 3.086 -1.088 -5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 777 3.109 -0.574 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 777 1.135 -3.576 -1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 777 1.136 -4.117 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 777 2.557 -3.280 -2.546 1.00 0.00 H new ATOM 1180 N HIS A 778 0.400 -0.253 -7.170 1.00 0.00 N ATOM 1181 CA HIS A 778 0.645 0.202 -8.526 1.00 0.00 C ATOM 1182 C HIS A 778 0.263 1.684 -8.656 1.00 0.00 C ATOM 1183 O HIS A 778 1.048 2.485 -9.151 1.00 0.00 O ATOM 1184 CB HIS A 778 -0.135 -0.684 -9.532 1.00 0.00 C ATOM 1185 CG HIS A 778 -0.065 -0.244 -10.970 1.00 0.00 C ATOM 1186 ND1 HIS A 778 1.006 -0.476 -11.805 1.00 0.00 N ATOM 1187 CD2 HIS A 778 -0.971 0.440 -11.707 1.00 0.00 C ATOM 1188 CE1 HIS A 778 0.732 0.067 -12.991 1.00 0.00 C ATOM 1189 NE2 HIS A 778 -0.463 0.640 -12.989 1.00 0.00 N ATOM 0 H HIS A 778 -0.284 -1.007 -7.105 1.00 0.00 H new ATOM 0 HA HIS A 778 1.706 0.110 -8.758 1.00 0.00 H new ATOM 0 HB2 HIS A 778 0.245 -1.703 -9.463 1.00 0.00 H new ATOM 0 HB3 HIS A 778 -1.182 -0.713 -9.229 1.00 0.00 H new ATOM 0 HD2 HIS A 778 -1.935 0.777 -11.357 1.00 0.00 H new ATOM 0 HE1 HIS A 778 1.397 0.043 -13.842 1.00 0.00 H new ATOM 0 HE2 HIS A 778 -0.916 1.126 -13.763 1.00 0.00 H new ATOM 1197 N ARG A 779 -0.925 2.040 -8.173 1.00 0.00 N ATOM 1198 CA ARG A 779 -1.389 3.419 -8.219 1.00 0.00 C ATOM 1199 C ARG A 779 -0.430 4.318 -7.432 1.00 0.00 C ATOM 1200 O ARG A 779 0.052 5.338 -7.943 1.00 0.00 O ATOM 1201 CB ARG A 779 -2.791 3.564 -7.629 1.00 0.00 C ATOM 1202 CG ARG A 779 -3.372 4.960 -7.829 1.00 0.00 C ATOM 1203 CD ARG A 779 -4.369 5.337 -6.749 1.00 0.00 C ATOM 1204 NE ARG A 779 -5.522 4.445 -6.660 1.00 0.00 N ATOM 1205 CZ ARG A 779 -6.103 4.089 -5.514 1.00 0.00 C ATOM 1206 NH1 ARG A 779 -5.464 4.264 -4.344 1.00 0.00 N ATOM 1207 NH2 ARG A 779 -7.291 3.502 -5.539 1.00 0.00 N ATOM 0 H ARG A 779 -1.583 1.389 -7.745 1.00 0.00 H new ATOM 0 HA ARG A 779 -1.420 3.718 -9.267 1.00 0.00 H new ATOM 0 HB2 ARG A 779 -3.452 2.830 -8.090 1.00 0.00 H new ATOM 0 HB3 ARG A 779 -2.757 3.338 -6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 779 -2.561 5.689 -7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 779 -3.860 5.011 -8.802 1.00 0.00 H new ATOM 0 HD2 ARG A 779 -3.858 5.348 -5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 779 -4.722 6.351 -6.934 1.00 0.00 H new ATOM 0 HE ARG A 779 -5.906 4.071 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 779 -4.529 4.671 -4.330 1.00 0.00 H new ATOM 0 HH12 ARG A 779 -5.914 3.989 -3.471 1.00 0.00 H new ATOM 0 HH21 ARG A 779 -7.754 3.326 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 779 -7.742 3.227 -4.667 1.00 0.00 H new ATOM 1221 N LEU A 780 -0.137 3.882 -6.221 1.00 0.00 N ATOM 1222 CA LEU A 780 0.740 4.549 -5.269 1.00 0.00 C ATOM 1223 C LEU A 780 2.080 4.944 -5.883 1.00 0.00 C ATOM 1224 O LEU A 780 2.517 6.100 -5.786 1.00 0.00 O ATOM 1225 CB LEU A 780 0.989 3.581 -4.101 1.00 0.00 C ATOM 1226 CG LEU A 780 2.007 3.996 -3.046 1.00 0.00 C ATOM 1227 CD1 LEU A 780 1.561 5.245 -2.351 1.00 0.00 C ATOM 1228 CD2 LEU A 780 2.219 2.873 -2.049 1.00 0.00 C ATOM 0 H LEU A 780 -0.521 3.011 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 780 0.255 5.468 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 780 0.037 3.408 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 780 1.308 2.626 -4.518 1.00 0.00 H new ATOM 0 HG LEU A 780 2.957 4.201 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 780 2.300 5.527 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 780 1.458 6.049 -3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 780 0.601 5.069 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 780 2.949 3.183 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 780 1.274 2.639 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 780 2.587 1.989 -2.570 1.00 0.00 H new ATOM 1240 N THR A 781 2.705 4.002 -6.525 1.00 0.00 N ATOM 1241 CA THR A 781 4.032 4.187 -7.042 1.00 0.00 C ATOM 1242 C THR A 781 4.050 4.889 -8.414 1.00 0.00 C ATOM 1243 O THR A 781 5.055 5.492 -8.793 1.00 0.00 O ATOM 1244 CB THR A 781 4.750 2.816 -7.141 1.00 0.00 C ATOM 1245 OG1 THR A 781 3.937 1.910 -7.910 1.00 0.00 O ATOM 1246 CG2 THR A 781 4.981 2.211 -5.755 1.00 0.00 C ATOM 0 H THR A 781 2.309 3.080 -6.706 1.00 0.00 H new ATOM 0 HA THR A 781 4.558 4.840 -6.346 1.00 0.00 H new ATOM 0 HB THR A 781 5.716 2.971 -7.621 1.00 0.00 H new ATOM 0 HG1 THR A 781 3.258 1.507 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 781 5.486 1.250 -5.857 1.00 0.00 H new ATOM 0 HG22 THR A 781 5.599 2.885 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 781 4.022 2.066 -5.257 1.00 0.00 H new ATOM 1254 N HIS A 782 2.937 4.850 -9.123 1.00 0.00 N ATOM 1255 CA HIS A 782 2.913 5.325 -10.514 1.00 0.00 C ATOM 1256 C HIS A 782 2.127 6.631 -10.680 1.00 0.00 C ATOM 1257 O HIS A 782 2.607 7.576 -11.290 1.00 0.00 O ATOM 1258 CB HIS A 782 2.305 4.228 -11.417 1.00 0.00 C ATOM 1259 CG HIS A 782 2.414 4.459 -12.903 1.00 0.00 C ATOM 1260 ND1 HIS A 782 1.508 5.184 -13.658 1.00 0.00 N ATOM 1261 CD2 HIS A 782 3.334 4.001 -13.778 1.00 0.00 C ATOM 1262 CE1 HIS A 782 1.896 5.132 -14.933 1.00 0.00 C ATOM 1263 NE2 HIS A 782 3.003 4.425 -15.064 1.00 0.00 N ATOM 0 H HIS A 782 2.044 4.501 -8.774 1.00 0.00 H new ATOM 0 HA HIS A 782 3.942 5.534 -10.807 1.00 0.00 H new ATOM 0 HB2 HIS A 782 2.789 3.281 -11.180 1.00 0.00 H new ATOM 0 HB3 HIS A 782 1.251 4.119 -11.163 1.00 0.00 H new ATOM 0 HD2 HIS A 782 4.193 3.399 -13.522 1.00 0.00 H new ATOM 0 HE1 HIS A 782 1.373 5.606 -15.751 1.00 0.00 H new ATOM 0 HE2 HIS A 782 3.511 4.230 -15.927 1.00 0.00 H new ATOM 1271 N TYR A 783 0.939 6.672 -10.136 1.00 0.00 N ATOM 1272 CA TYR A 783 0.035 7.801 -10.343 1.00 0.00 C ATOM 1273 C TYR A 783 0.227 8.829 -9.269 1.00 0.00 C ATOM 1274 O TYR A 783 0.566 9.975 -9.541 1.00 0.00 O ATOM 1275 CB TYR A 783 -1.435 7.350 -10.305 1.00 0.00 C ATOM 1276 CG TYR A 783 -1.849 6.308 -11.319 1.00 0.00 C ATOM 1277 CD1 TYR A 783 -1.355 5.023 -11.253 1.00 0.00 C ATOM 1278 CD2 TYR A 783 -2.782 6.599 -12.300 1.00 0.00 C ATOM 1279 CE1 TYR A 783 -1.757 4.055 -12.128 1.00 0.00 C ATOM 1280 CE2 TYR A 783 -3.190 5.633 -13.193 1.00 0.00 C ATOM 1281 CZ TYR A 783 -2.673 4.360 -13.098 1.00 0.00 C ATOM 1282 OH TYR A 783 -3.075 3.394 -13.975 1.00 0.00 O ATOM 0 H TYR A 783 0.562 5.936 -9.539 1.00 0.00 H new ATOM 0 HA TYR A 783 0.267 8.222 -11.321 1.00 0.00 H new ATOM 0 HB2 TYR A 783 -1.646 6.960 -9.309 1.00 0.00 H new ATOM 0 HB3 TYR A 783 -2.065 8.229 -10.443 1.00 0.00 H new ATOM 0 HD1 TYR A 783 -0.632 4.776 -10.490 1.00 0.00 H new ATOM 0 HD2 TYR A 783 -3.195 7.595 -12.366 1.00 0.00 H new ATOM 0 HE1 TYR A 783 -1.355 3.055 -12.055 1.00 0.00 H new ATOM 0 HE2 TYR A 783 -3.910 5.872 -13.962 1.00 0.00 H new ATOM 0 HH TYR A 783 -3.729 3.771 -14.600 1.00 0.00 H new ATOM 1292 N ASP A 784 0.012 8.399 -8.040 1.00 0.00 N ATOM 1293 CA ASP A 784 0.074 9.273 -6.880 1.00 0.00 C ATOM 1294 C ASP A 784 1.463 9.795 -6.711 1.00 0.00 C ATOM 1295 O ASP A 784 1.675 11.005 -6.546 1.00 0.00 O ATOM 1296 CB ASP A 784 -0.319 8.517 -5.614 1.00 0.00 C ATOM 1297 CG ASP A 784 -1.697 7.923 -5.670 1.00 0.00 C ATOM 1298 OD1 ASP A 784 -2.689 8.678 -5.675 1.00 0.00 O ATOM 1299 OD2 ASP A 784 -1.801 6.685 -5.699 1.00 0.00 O ATOM 0 H ASP A 784 -0.212 7.429 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 784 -0.621 10.097 -7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 784 0.404 7.720 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 784 -0.259 9.195 -4.763 1.00 0.00 H new ATOM 1304 N HIS A 785 2.413 8.859 -6.748 1.00 0.00 N ATOM 1305 CA HIS A 785 3.836 9.131 -6.617 1.00 0.00 C ATOM 1306 C HIS A 785 4.111 9.695 -5.206 1.00 0.00 C ATOM 1307 O HIS A 785 5.067 10.414 -4.964 1.00 0.00 O ATOM 1308 CB HIS A 785 4.322 10.076 -7.757 1.00 0.00 C ATOM 1309 CG HIS A 785 5.815 10.079 -7.995 1.00 0.00 C ATOM 1310 ND1 HIS A 785 6.426 9.345 -8.985 1.00 0.00 N ATOM 1311 CD2 HIS A 785 6.813 10.743 -7.359 1.00 0.00 C ATOM 1312 CE1 HIS A 785 7.733 9.569 -8.926 1.00 0.00 C ATOM 1313 NE2 HIS A 785 8.027 10.417 -7.952 1.00 0.00 N ATOM 0 H HIS A 785 2.204 7.869 -6.873 1.00 0.00 H new ATOM 0 HA HIS A 785 4.409 8.210 -6.725 1.00 0.00 H new ATOM 0 HB2 HIS A 785 3.823 9.790 -8.683 1.00 0.00 H new ATOM 0 HB3 HIS A 785 4.005 11.093 -7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 785 6.684 11.417 -6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 785 8.461 9.119 -9.585 1.00 0.00 H new ATOM 0 HE2 HIS A 785 8.952 10.759 -7.691 1.00 0.00 H new ATOM 1321 N VAL A 786 3.300 9.264 -4.259 1.00 0.00 N ATOM 1322 CA VAL A 786 3.431 9.691 -2.867 1.00 0.00 C ATOM 1323 C VAL A 786 4.288 8.692 -2.106 1.00 0.00 C ATOM 1324 O VAL A 786 4.215 8.563 -0.878 1.00 0.00 O ATOM 1325 CB VAL A 786 2.056 9.880 -2.165 1.00 0.00 C ATOM 1326 CG1 VAL A 786 1.279 11.017 -2.795 1.00 0.00 C ATOM 1327 CG2 VAL A 786 1.239 8.612 -2.204 1.00 0.00 C ATOM 0 H VAL A 786 2.534 8.611 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 786 3.915 10.668 -2.867 1.00 0.00 H new ATOM 0 HB VAL A 786 2.255 10.126 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 786 0.321 11.129 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 786 1.849 11.942 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 786 1.107 10.800 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 786 0.284 8.779 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 786 1.061 8.325 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 786 1.780 7.815 -1.695 1.00 0.00 H new ATOM 1337 N LEU A 787 5.120 8.013 -2.848 1.00 0.00 N ATOM 1338 CA LEU A 787 6.037 7.077 -2.293 1.00 0.00 C ATOM 1339 C LEU A 787 7.321 7.828 -1.991 1.00 0.00 C ATOM 1340 O LEU A 787 7.780 8.641 -2.796 1.00 0.00 O ATOM 1341 CB LEU A 787 6.324 5.887 -3.265 1.00 0.00 C ATOM 1342 CG LEU A 787 7.233 6.149 -4.513 1.00 0.00 C ATOM 1343 CD1 LEU A 787 7.607 4.846 -5.186 1.00 0.00 C ATOM 1344 CD2 LEU A 787 6.556 7.054 -5.531 1.00 0.00 C ATOM 0 H LEU A 787 5.175 8.100 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 787 5.609 6.642 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 787 6.781 5.086 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 787 5.365 5.513 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 787 8.130 6.648 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 787 8.238 5.051 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 787 8.150 4.215 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 787 6.703 4.332 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 787 7.222 7.209 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 787 5.632 6.588 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 787 6.328 8.014 -5.069 1.00 0.00 H new ATOM 1356 N ILE A 788 7.840 7.622 -0.838 1.00 0.00 N ATOM 1357 CA ILE A 788 9.042 8.224 -0.414 1.00 0.00 C ATOM 1358 C ILE A 788 10.071 7.130 -0.423 1.00 0.00 C ATOM 1359 O ILE A 788 9.890 6.098 0.231 1.00 0.00 O ATOM 1360 CB ILE A 788 8.878 8.742 1.019 1.00 0.00 C ATOM 1361 CG1 ILE A 788 7.673 9.683 1.120 1.00 0.00 C ATOM 1362 CG2 ILE A 788 10.156 9.445 1.496 1.00 0.00 C ATOM 1363 CD1 ILE A 788 7.262 9.969 2.542 1.00 0.00 C ATOM 0 H ILE A 788 7.422 7.007 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 788 9.323 9.059 -1.056 1.00 0.00 H new ATOM 0 HB ILE A 788 8.699 7.886 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 788 7.911 10.623 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 788 6.831 9.243 0.586 1.00 0.00 H new ATOM 0 HG21 ILE A 788 10.015 9.804 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 788 10.989 8.742 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 788 10.373 10.289 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 788 6.404 10.641 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 788 6.994 9.036 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 788 8.091 10.437 3.073 1.00 0.00 H new ATOM 1375 N GLU A 789 11.084 7.288 -1.182 1.00 0.00 N ATOM 1376 CA GLU A 789 12.087 6.280 -1.235 1.00 0.00 C ATOM 1377 C GLU A 789 13.304 6.741 -0.501 1.00 0.00 C ATOM 1378 O GLU A 789 13.736 7.893 -0.637 1.00 0.00 O ATOM 1379 CB GLU A 789 12.426 5.903 -2.681 1.00 0.00 C ATOM 1380 CG GLU A 789 12.942 7.053 -3.506 1.00 0.00 C ATOM 1381 CD GLU A 789 13.238 6.691 -4.939 1.00 0.00 C ATOM 1382 OE1 GLU A 789 14.158 5.888 -5.207 1.00 0.00 O ATOM 1383 OE2 GLU A 789 12.550 7.217 -5.839 1.00 0.00 O ATOM 0 H GLU A 789 11.248 8.100 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 789 11.702 5.382 -0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 789 13.173 5.110 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 789 11.535 5.497 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 789 12.207 7.858 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 789 13.850 7.440 -3.044 1.00 0.00 H new ATOM 1666 N TYR A 810 13.954 1.099 -0.175 1.00 0.00 N ATOM 1667 CA TYR A 810 13.234 1.223 1.062 1.00 0.00 C ATOM 1668 C TYR A 810 12.129 2.258 0.864 1.00 0.00 C ATOM 1669 O TYR A 810 12.389 3.470 0.845 1.00 0.00 O ATOM 1670 CB TYR A 810 14.180 1.654 2.184 1.00 0.00 C ATOM 1671 CG TYR A 810 15.418 0.793 2.323 1.00 0.00 C ATOM 1672 CD1 TYR A 810 15.418 -0.353 3.107 1.00 0.00 C ATOM 1673 CD2 TYR A 810 16.594 1.144 1.677 1.00 0.00 C ATOM 1674 CE1 TYR A 810 16.562 -1.121 3.240 1.00 0.00 C ATOM 1675 CE2 TYR A 810 17.733 0.383 1.801 1.00 0.00 C ATOM 1676 CZ TYR A 810 17.716 -0.743 2.581 1.00 0.00 C ATOM 1677 OH TYR A 810 18.864 -1.492 2.713 1.00 0.00 O ATOM 0 HA TYR A 810 12.799 0.264 1.344 1.00 0.00 H new ATOM 0 HB2 TYR A 810 14.487 2.685 2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 810 13.635 1.640 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 810 14.514 -0.649 3.619 1.00 0.00 H new ATOM 0 HD2 TYR A 810 16.616 2.033 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 810 16.553 -2.009 3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 810 18.637 0.672 1.286 1.00 0.00 H new ATOM 0 HH TYR A 810 19.582 -1.087 2.183 1.00 0.00 H new ATOM 1687 N LEU A 811 10.926 1.779 0.639 1.00 0.00 N ATOM 1688 CA LEU A 811 9.805 2.640 0.339 1.00 0.00 C ATOM 1689 C LEU A 811 8.921 2.902 1.537 1.00 0.00 C ATOM 1690 O LEU A 811 8.467 1.979 2.226 1.00 0.00 O ATOM 1691 CB LEU A 811 8.970 2.060 -0.803 1.00 0.00 C ATOM 1692 CG LEU A 811 9.668 1.952 -2.158 1.00 0.00 C ATOM 1693 CD1 LEU A 811 8.749 1.336 -3.180 1.00 0.00 C ATOM 1694 CD2 LEU A 811 10.122 3.313 -2.628 1.00 0.00 C ATOM 0 H LEU A 811 10.698 0.785 0.659 1.00 0.00 H new ATOM 0 HA LEU A 811 10.229 3.598 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 811 8.632 1.066 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 811 8.079 2.676 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 811 10.541 1.310 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 811 9.264 1.268 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 811 8.458 0.338 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 811 7.859 1.956 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 811 10.617 3.218 -3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 811 9.258 3.971 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 811 10.819 3.734 -1.903 1.00 0.00 H new ATOM 1706 N VAL A 812 8.671 4.146 1.755 1.00 0.00 N ATOM 1707 CA VAL A 812 7.797 4.628 2.780 1.00 0.00 C ATOM 1708 C VAL A 812 6.738 5.489 2.115 1.00 0.00 C ATOM 1709 O VAL A 812 6.983 6.044 1.071 1.00 0.00 O ATOM 1710 CB VAL A 812 8.581 5.340 3.966 1.00 0.00 C ATOM 1711 CG1 VAL A 812 9.735 6.200 3.483 1.00 0.00 C ATOM 1712 CG2 VAL A 812 7.662 6.187 4.829 1.00 0.00 C ATOM 0 H VAL A 812 9.087 4.894 1.200 1.00 0.00 H new ATOM 0 HA VAL A 812 7.299 3.797 3.280 1.00 0.00 H new ATOM 0 HB VAL A 812 8.988 4.525 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 812 10.230 6.659 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 812 10.449 5.580 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 812 9.356 6.980 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 812 8.240 6.654 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 812 7.198 6.960 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 812 6.888 5.555 5.265 1.00 0.00 H new ATOM 1722 N VAL A 813 5.564 5.531 2.654 1.00 0.00 N ATOM 1723 CA VAL A 813 4.489 6.242 2.019 1.00 0.00 C ATOM 1724 C VAL A 813 4.184 7.538 2.748 1.00 0.00 C ATOM 1725 O VAL A 813 4.325 7.622 3.973 1.00 0.00 O ATOM 1726 CB VAL A 813 3.216 5.337 1.888 1.00 0.00 C ATOM 1727 CG1 VAL A 813 2.732 4.843 3.251 1.00 0.00 C ATOM 1728 CG2 VAL A 813 2.083 6.041 1.130 1.00 0.00 C ATOM 0 H VAL A 813 5.318 5.081 3.536 1.00 0.00 H new ATOM 0 HA VAL A 813 4.808 6.505 1.010 1.00 0.00 H new ATOM 0 HB VAL A 813 3.512 4.468 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 813 1.848 4.219 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 813 3.520 4.260 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 813 2.482 5.697 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 813 1.222 5.376 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 813 1.800 6.950 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 813 2.421 6.298 0.126 1.00 0.00 H new ATOM 1738 N ASN A 814 3.845 8.549 1.976 1.00 0.00 N ATOM 1739 CA ASN A 814 3.433 9.839 2.485 1.00 0.00 C ATOM 1740 C ASN A 814 2.153 9.626 3.279 1.00 0.00 C ATOM 1741 O ASN A 814 1.212 9.031 2.760 1.00 0.00 O ATOM 1742 CB ASN A 814 3.095 10.755 1.293 1.00 0.00 C ATOM 1743 CG ASN A 814 2.968 12.253 1.595 1.00 0.00 C ATOM 1744 OD1 ASN A 814 2.726 12.627 2.821 1.00 0.00 O flip ATOM 1745 ND2 ASN A 814 3.156 13.079 0.700 1.00 0.00 N flip ATOM 0 H ASN A 814 3.848 8.495 0.957 1.00 0.00 H new ATOM 0 HA ASN A 814 4.219 10.282 3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 814 3.866 10.624 0.533 1.00 0.00 H new ATOM 0 HB3 ASN A 814 2.156 10.414 0.857 1.00 0.00 H new ATOM 0 HD21 ASN A 814 3.344 12.765 -0.252 1.00 0.00 H new ATOM 0 HD22 ASN A 814 3.124 14.076 0.911 1.00 0.00 H new ATOM 1752 N PRO A 815 2.086 10.088 4.548 1.00 0.00 N ATOM 1753 CA PRO A 815 0.855 9.996 5.363 1.00 0.00 C ATOM 1754 C PRO A 815 -0.360 10.705 4.718 1.00 0.00 C ATOM 1755 O PRO A 815 -1.503 10.519 5.147 1.00 0.00 O ATOM 1756 CB PRO A 815 1.235 10.674 6.690 1.00 0.00 C ATOM 1757 CG PRO A 815 2.507 11.404 6.415 1.00 0.00 C ATOM 1758 CD PRO A 815 3.209 10.632 5.343 1.00 0.00 C ATOM 0 HA PRO A 815 0.538 8.959 5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 815 0.453 11.358 7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 815 1.369 9.938 7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 815 2.307 12.426 6.091 1.00 0.00 H new ATOM 0 HG3 PRO A 815 3.121 11.468 7.313 1.00 0.00 H new ATOM 0 HD2 PRO A 815 3.858 11.270 4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 815 3.834 9.840 5.757 1.00 0.00 H new ATOM 1766 N ASN A 816 -0.107 11.489 3.685 1.00 0.00 N ATOM 1767 CA ASN A 816 -1.149 12.172 2.963 1.00 0.00 C ATOM 1768 C ASN A 816 -1.435 11.393 1.701 1.00 0.00 C ATOM 1769 O ASN A 816 -0.829 11.628 0.656 1.00 0.00 O ATOM 1770 CB ASN A 816 -0.736 13.615 2.623 1.00 0.00 C ATOM 1771 CG ASN A 816 -1.777 14.402 1.812 1.00 0.00 C ATOM 1772 OD1 ASN A 816 -1.415 15.260 1.003 1.00 0.00 O ATOM 1773 ND2 ASN A 816 -3.052 14.160 2.028 1.00 0.00 N ATOM 0 H ASN A 816 0.832 11.666 3.328 1.00 0.00 H new ATOM 0 HA ASN A 816 -2.044 12.230 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 816 -0.537 14.151 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 816 0.199 13.589 2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 816 -3.764 14.687 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 816 -3.329 13.446 2.702 1.00 0.00 H new ATOM 1780 N TYR A 817 -2.267 10.405 1.826 1.00 0.00 N ATOM 1781 CA TYR A 817 -2.628 9.595 0.703 1.00 0.00 C ATOM 1782 C TYR A 817 -4.145 9.534 0.589 1.00 0.00 C ATOM 1783 O TYR A 817 -4.840 9.158 1.541 1.00 0.00 O ATOM 1784 CB TYR A 817 -1.992 8.183 0.808 1.00 0.00 C ATOM 1785 CG TYR A 817 -2.206 7.299 -0.416 1.00 0.00 C ATOM 1786 CD1 TYR A 817 -2.457 7.855 -1.657 1.00 0.00 C ATOM 1787 CD2 TYR A 817 -2.147 5.911 -0.329 1.00 0.00 C ATOM 1788 CE1 TYR A 817 -2.649 7.082 -2.756 1.00 0.00 C ATOM 1789 CE2 TYR A 817 -2.338 5.119 -1.454 1.00 0.00 C ATOM 1790 CZ TYR A 817 -2.593 5.728 -2.669 1.00 0.00 C ATOM 1791 OH TYR A 817 -2.794 4.977 -3.812 1.00 0.00 O ATOM 0 H TYR A 817 -2.713 10.138 2.704 1.00 0.00 H new ATOM 0 HA TYR A 817 -2.236 10.045 -0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 817 -0.921 8.293 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 817 -2.403 7.677 1.682 1.00 0.00 H new ATOM 0 HD1 TYR A 817 -2.501 8.930 -1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 817 -1.950 5.444 0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 817 -2.848 7.549 -3.709 1.00 0.00 H new ATOM 0 HE2 TYR A 817 -2.288 4.043 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 817 -2.337 5.402 -4.567 1.00 0.00 H new