USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 643 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 92 GLN : amide:sc= -1.89 K(o=-4.4,f=-0.45) USER MOD Set 1.2: A 95 GLN : amide:sc= -2.55 K(o=-4.4,f=-0.45) USER MOD Set 2.1: A 52 ASN : amide:sc= -1.73! C(o=-3.2!,f=-1.6!) USER MOD Set 2.2: A 55 HIS : no HD1:sc= -1.49! K(o=-3.2!,f=0.41) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -141:sc= -3.05! (180deg=-5.73!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 65:sc= 0.00751 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 47 GLN : amide:sc=-0.00176 X(o=-0.0018,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= -0.465 (180deg=-0.515) USER MOD Single : A 54 MET CE :methyl 143:sc= -0.455 (180deg=-1.71!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.217 X(o=-0.22,f=-0.0098) USER MOD Single : A 60 ASN : amide:sc= 0.331 K(o=0.33,f=-4.6!) USER MOD Single : A 62 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.23) USER MOD Single : A 65 HIS : no HE2:sc= -4.18! C(o=-4.2!,f=-3.1!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 76 THR OG1 : rot 57:sc= 1.27 USER MOD Single : A 80 THR OG1 : rot 179:sc= -0.282 USER MOD Single : A 91 LYS NZ :NH3+ -168:sc= -0.115 (180deg=-0.505) USER MOD Single : A 93 THR OG1 : rot 67:sc= 1.09 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 98 GLN : amide:sc= -2.41 K(o=-2.4,f=-4.2!) USER MOD Single : A 103 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=0) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -16.004 -8.652 -2.286 1.00 0.00 N ATOM 183 CA SER A 15 -16.046 -7.198 -2.383 1.00 0.00 C ATOM 184 C SER A 15 -14.638 -6.619 -2.486 1.00 0.00 C ATOM 185 O SER A 15 -13.760 -6.945 -1.686 1.00 0.00 O ATOM 186 CB SER A 15 -16.766 -6.605 -1.170 1.00 0.00 C ATOM 187 OG SER A 15 -18.167 -6.568 -1.377 1.00 0.00 O ATOM 0 HA SER A 15 -16.595 -6.935 -3.287 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.542 -7.199 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.396 -5.597 -0.980 1.00 0.00 H new ATOM 0 HG SER A 15 -18.604 -6.187 -0.587 1.00 0.00 H new ATOM 193 N VAL A 16 -14.429 -5.759 -3.477 1.00 0.00 N ATOM 194 CA VAL A 16 -13.128 -5.133 -3.685 1.00 0.00 C ATOM 195 C VAL A 16 -13.219 -3.618 -3.547 1.00 0.00 C ATOM 196 O VAL A 16 -14.179 -2.997 -4.005 1.00 0.00 O ATOM 197 CB VAL A 16 -12.556 -5.478 -5.073 1.00 0.00 C ATOM 198 CG1 VAL A 16 -11.195 -4.826 -5.266 1.00 0.00 C ATOM 199 CG2 VAL A 16 -12.464 -6.985 -5.252 1.00 0.00 C ATOM 0 H VAL A 16 -15.144 -5.479 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.461 -5.525 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.232 -5.086 -5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.806 -5.081 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.295 -3.744 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.507 -5.186 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.058 -7.210 -6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.811 -7.403 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.458 -7.424 -5.160 1.00 0.00 H new ATOM 209 N THR A 17 -12.212 -3.025 -2.912 1.00 0.00 N ATOM 210 CA THR A 17 -12.178 -1.582 -2.712 1.00 0.00 C ATOM 211 C THR A 17 -11.013 -0.950 -3.466 1.00 0.00 C ATOM 212 O THR A 17 -9.921 -1.516 -3.529 1.00 0.00 O ATOM 213 CB THR A 17 -12.063 -1.224 -1.219 1.00 0.00 C ATOM 214 OG1 THR A 17 -12.594 -2.286 -0.418 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.804 0.068 -0.913 1.00 0.00 C ATOM 0 H THR A 17 -11.409 -3.523 -2.527 1.00 0.00 H new ATOM 0 HA THR A 17 -13.116 -1.187 -3.101 1.00 0.00 H new ATOM 0 HB THR A 17 -11.008 -1.083 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.516 -2.051 0.530 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.708 0.300 0.148 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.378 0.880 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.858 -0.049 -1.165 1.00 0.00 H new ATOM 223 N LEU A 18 -11.252 0.225 -4.036 1.00 0.00 N ATOM 224 CA LEU A 18 -10.221 0.936 -4.786 1.00 0.00 C ATOM 225 C LEU A 18 -10.082 2.372 -4.293 1.00 0.00 C ATOM 226 O LEU A 18 -11.061 3.116 -4.233 1.00 0.00 O ATOM 227 CB LEU A 18 -10.552 0.927 -6.279 1.00 0.00 C ATOM 228 CG LEU A 18 -9.461 1.456 -7.211 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.243 0.545 -7.178 1.00 0.00 C ATOM 230 CD2 LEU A 18 -9.991 1.589 -8.631 1.00 0.00 C ATOM 0 H LEU A 18 -12.150 0.706 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.272 0.424 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.788 -0.096 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.454 1.519 -6.435 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.160 2.444 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.477 0.937 -7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.849 0.500 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.529 -0.456 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.201 1.967 -9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.320 0.614 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.832 2.282 -8.642 1.00 0.00 H new ATOM 242 N ILE A 19 -8.859 2.756 -3.942 1.00 0.00 N ATOM 243 CA ILE A 19 -8.591 4.104 -3.458 1.00 0.00 C ATOM 244 C ILE A 19 -7.565 4.811 -4.337 1.00 0.00 C ATOM 245 O ILE A 19 -6.489 4.276 -4.604 1.00 0.00 O ATOM 246 CB ILE A 19 -8.082 4.090 -2.004 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.065 2.963 -1.808 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.246 3.934 -1.037 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.659 1.713 -1.198 1.00 0.00 C ATOM 0 H ILE A 19 -8.038 2.152 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.536 4.646 -3.499 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.589 5.040 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.622 2.712 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.257 3.321 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.870 3.926 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.938 4.767 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.765 2.997 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.882 0.957 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.077 1.949 -0.219 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.448 1.331 -1.846 1.00 0.00 H new ATOM 261 N SER A 20 -7.905 6.016 -4.782 1.00 0.00 N ATOM 262 CA SER A 20 -7.014 6.796 -5.633 1.00 0.00 C ATOM 263 C SER A 20 -6.825 8.204 -5.077 1.00 0.00 C ATOM 264 O SER A 20 -7.677 9.074 -5.259 1.00 0.00 O ATOM 265 CB SER A 20 -7.568 6.868 -7.058 1.00 0.00 C ATOM 266 OG SER A 20 -6.752 7.682 -7.882 1.00 0.00 O ATOM 0 H SER A 20 -8.791 6.474 -4.568 1.00 0.00 H new ATOM 0 HA SER A 20 -6.044 6.299 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.629 5.864 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.582 7.267 -7.038 1.00 0.00 H new ATOM 0 HG SER A 20 -7.126 7.710 -8.787 1.00 0.00 H new ATOM 272 N MET A 21 -5.704 8.420 -4.398 1.00 0.00 N ATOM 273 CA MET A 21 -5.402 9.722 -3.815 1.00 0.00 C ATOM 274 C MET A 21 -4.155 10.326 -4.452 1.00 0.00 C ATOM 275 O MET A 21 -3.201 9.626 -4.792 1.00 0.00 O ATOM 276 CB MET A 21 -5.207 9.595 -2.303 1.00 0.00 C ATOM 277 CG MET A 21 -5.527 8.211 -1.763 1.00 0.00 C ATOM 278 SD MET A 21 -4.188 7.034 -2.030 1.00 0.00 S ATOM 279 CE MET A 21 -4.446 5.910 -0.660 1.00 0.00 C ATOM 0 H MET A 21 -4.989 7.710 -4.238 1.00 0.00 H new ATOM 0 HA MET A 21 -6.245 10.384 -4.010 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.175 9.843 -2.056 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.839 10.327 -1.801 1.00 0.00 H new ATOM 0 HG2 MET A 21 -5.736 8.281 -0.696 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.433 7.839 -2.242 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.482 5.608 -0.251 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.029 6.408 0.115 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.985 5.029 -1.009 1.00 0.00 H new ATOM 289 N PRO A 22 -4.160 11.657 -4.618 1.00 0.00 N ATOM 290 CA PRO A 22 -3.036 12.385 -5.215 1.00 0.00 C ATOM 291 C PRO A 22 -1.811 12.405 -4.307 1.00 0.00 C ATOM 292 O PRO A 22 -1.882 12.011 -3.143 1.00 0.00 O ATOM 293 CB PRO A 22 -3.587 13.801 -5.399 1.00 0.00 C ATOM 294 CG PRO A 22 -4.661 13.926 -4.374 1.00 0.00 C ATOM 295 CD PRO A 22 -5.263 12.555 -4.236 1.00 0.00 C ATOM 0 HA PRO A 22 -2.697 11.921 -6.141 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.810 14.551 -5.251 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.981 13.945 -6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.255 14.271 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.412 14.653 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.601 12.365 -3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.128 12.429 -4.887 1.00 0.00 H new ATOM 303 N ALA A 23 -0.687 12.866 -4.847 1.00 0.00 N ATOM 304 CA ALA A 23 0.553 12.939 -4.084 1.00 0.00 C ATOM 305 C ALA A 23 0.316 13.556 -2.709 1.00 0.00 C ATOM 306 O ALA A 23 -0.688 14.233 -2.485 1.00 0.00 O ATOM 307 CB ALA A 23 1.597 13.738 -4.850 1.00 0.00 C ATOM 0 H ALA A 23 -0.610 13.194 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 23 0.922 11.924 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.518 13.785 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.796 13.254 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.226 14.748 -5.024 1.00 0.00 H new ATOM 391 N ARG A 29 5.435 9.051 3.025 1.00 0.00 N ATOM 392 CA ARG A 29 4.018 8.710 3.065 1.00 0.00 C ATOM 393 C ARG A 29 3.518 8.633 4.504 1.00 0.00 C ATOM 394 O ARG A 29 4.307 8.633 5.447 1.00 0.00 O ATOM 395 CB ARG A 29 3.773 7.376 2.356 1.00 0.00 C ATOM 396 CG ARG A 29 4.252 6.169 3.146 1.00 0.00 C ATOM 397 CD ARG A 29 5.768 6.145 3.260 1.00 0.00 C ATOM 398 NE ARG A 29 6.263 4.843 3.699 1.00 0.00 N ATOM 399 CZ ARG A 29 7.502 4.416 3.483 1.00 0.00 C ATOM 400 NH1 ARG A 29 8.368 5.185 2.837 1.00 0.00 N ATOM 401 NH2 ARG A 29 7.878 3.219 3.913 1.00 0.00 N ATOM 0 HA ARG A 29 3.466 9.495 2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.706 7.270 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.277 7.390 1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.811 6.187 4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.908 5.255 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.208 6.393 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.091 6.912 3.964 1.00 0.00 H new ATOM 0 HE ARG A 29 5.622 4.227 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.083 6.106 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.319 4.855 2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.215 2.624 4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.830 2.893 3.746 1.00 0.00 H new ATOM 415 N GLY A 30 2.199 8.567 4.664 1.00 0.00 N ATOM 416 CA GLY A 30 1.616 8.491 5.991 1.00 0.00 C ATOM 417 C GLY A 30 1.381 7.063 6.440 1.00 0.00 C ATOM 418 O GLY A 30 1.470 6.755 7.629 1.00 0.00 O ATOM 0 H GLY A 30 1.525 8.565 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.275 8.989 6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.670 9.032 6.000 1.00 0.00 H new ATOM 422 N PHE A 31 1.078 6.187 5.488 1.00 0.00 N ATOM 423 CA PHE A 31 0.826 4.783 5.792 1.00 0.00 C ATOM 424 C PHE A 31 1.954 3.901 5.264 1.00 0.00 C ATOM 425 O PHE A 31 2.600 4.231 4.269 1.00 0.00 O ATOM 426 CB PHE A 31 -0.508 4.340 5.189 1.00 0.00 C ATOM 427 CG PHE A 31 -0.403 3.904 3.755 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.112 4.821 2.758 1.00 0.00 C ATOM 429 CD2 PHE A 31 -0.596 2.578 3.404 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.014 4.424 1.438 1.00 0.00 C ATOM 431 CE2 PHE A 31 -0.499 2.174 2.086 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.208 3.099 1.102 1.00 0.00 C ATOM 0 H PHE A 31 1.001 6.425 4.499 1.00 0.00 H new ATOM 0 HA PHE A 31 0.781 4.674 6.876 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.910 3.518 5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.220 5.162 5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.040 5.859 3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.825 1.851 4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.214 5.149 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.650 1.137 1.826 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.132 2.786 0.071 1.00 0.00 H new ATOM 442 N SER A 32 2.184 2.779 5.937 1.00 0.00 N ATOM 443 CA SER A 32 3.236 1.851 5.539 1.00 0.00 C ATOM 444 C SER A 32 2.648 0.498 5.148 1.00 0.00 C ATOM 445 O SER A 32 1.491 0.201 5.448 1.00 0.00 O ATOM 446 CB SER A 32 4.244 1.672 6.675 1.00 0.00 C ATOM 447 OG SER A 32 5.176 2.739 6.703 1.00 0.00 O ATOM 0 H SER A 32 1.656 2.490 6.761 1.00 0.00 H new ATOM 0 HA SER A 32 3.747 2.270 4.672 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.717 1.620 7.628 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.772 0.727 6.551 1.00 0.00 H new ATOM 0 HG SER A 32 5.808 2.602 7.439 1.00 0.00 H new ATOM 453 N VAL A 33 3.454 -0.318 4.476 1.00 0.00 N ATOM 454 CA VAL A 33 3.015 -1.640 4.045 1.00 0.00 C ATOM 455 C VAL A 33 4.152 -2.652 4.132 1.00 0.00 C ATOM 456 O VAL A 33 5.305 -2.336 3.834 1.00 0.00 O ATOM 457 CB VAL A 33 2.479 -1.610 2.601 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.412 -0.537 2.450 1.00 0.00 C ATOM 459 CG2 VAL A 33 3.616 -1.385 1.615 1.00 0.00 C ATOM 0 H VAL A 33 4.414 -0.087 4.218 1.00 0.00 H new ATOM 0 HA VAL A 33 2.212 -1.942 4.717 1.00 0.00 H new ATOM 0 HB VAL A 33 2.023 -2.575 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.045 -0.531 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.586 -0.747 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.839 0.437 2.689 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.219 -1.367 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.103 -0.434 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.342 -2.193 1.706 1.00 0.00 H new ATOM 469 N THR A 34 3.821 -3.872 4.543 1.00 0.00 N ATOM 470 CA THR A 34 4.814 -4.932 4.670 1.00 0.00 C ATOM 471 C THR A 34 5.009 -5.665 3.348 1.00 0.00 C ATOM 472 O THR A 34 4.064 -5.839 2.578 1.00 0.00 O ATOM 473 CB THR A 34 4.413 -5.950 5.754 1.00 0.00 C ATOM 474 OG1 THR A 34 4.797 -5.467 7.046 1.00 0.00 O ATOM 475 CG2 THR A 34 5.066 -7.300 5.497 1.00 0.00 C ATOM 0 H THR A 34 2.872 -4.151 4.794 1.00 0.00 H new ATOM 0 HA THR A 34 5.750 -4.454 4.959 1.00 0.00 H new ATOM 0 HB THR A 34 3.331 -6.075 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.537 -6.119 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.768 -8.002 6.275 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.748 -7.679 4.526 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.150 -7.187 5.506 1.00 0.00 H new ATOM 483 N VAL A 35 6.241 -6.093 3.090 1.00 0.00 N ATOM 484 CA VAL A 35 6.559 -6.809 1.860 1.00 0.00 C ATOM 485 C VAL A 35 7.147 -8.183 2.161 1.00 0.00 C ATOM 486 O VAL A 35 7.872 -8.357 3.140 1.00 0.00 O ATOM 487 CB VAL A 35 7.553 -6.017 0.991 1.00 0.00 C ATOM 488 CG1 VAL A 35 7.932 -6.813 -0.248 1.00 0.00 C ATOM 489 CG2 VAL A 35 6.967 -4.666 0.607 1.00 0.00 C ATOM 0 H VAL A 35 7.035 -5.956 3.716 1.00 0.00 H new ATOM 0 HA VAL A 35 5.624 -6.929 1.312 1.00 0.00 H new ATOM 0 HB VAL A 35 8.458 -5.843 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.635 -6.237 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.396 -7.753 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.037 -7.020 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.683 -4.120 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.046 -4.816 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.751 -4.093 1.509 1.00 0.00 H new ATOM 499 N GLU A 36 6.829 -9.155 1.313 1.00 0.00 N ATOM 500 CA GLU A 36 7.327 -10.515 1.489 1.00 0.00 C ATOM 501 C GLU A 36 7.640 -11.159 0.141 1.00 0.00 C ATOM 502 O GLU A 36 6.909 -10.974 -0.832 1.00 0.00 O ATOM 503 CB GLU A 36 6.302 -11.363 2.246 1.00 0.00 C ATOM 504 CG GLU A 36 6.113 -10.941 3.693 1.00 0.00 C ATOM 505 CD GLU A 36 5.285 -11.933 4.486 1.00 0.00 C ATOM 506 OE1 GLU A 36 5.228 -13.114 4.085 1.00 0.00 O ATOM 507 OE2 GLU A 36 4.694 -11.527 5.509 1.00 0.00 O ATOM 0 H GLU A 36 6.229 -9.027 0.498 1.00 0.00 H new ATOM 0 HA GLU A 36 8.248 -10.465 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.343 -11.304 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.615 -12.407 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.089 -10.828 4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.630 -9.964 3.723 1.00 0.00 H new ATOM 514 N SER A 37 8.732 -11.915 0.093 1.00 0.00 N ATOM 515 CA SER A 37 9.145 -12.583 -1.136 1.00 0.00 C ATOM 516 C SER A 37 8.859 -14.079 -1.063 1.00 0.00 C ATOM 517 O SER A 37 8.714 -14.745 -2.088 1.00 0.00 O ATOM 518 CB SER A 37 10.635 -12.348 -1.393 1.00 0.00 C ATOM 519 OG SER A 37 11.429 -13.255 -0.648 1.00 0.00 O ATOM 0 H SER A 37 9.346 -12.080 0.890 1.00 0.00 H new ATOM 0 HA SER A 37 8.571 -12.161 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.847 -12.463 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.897 -11.325 -1.124 1.00 0.00 H new ATOM 0 HG SER A 37 12.377 -13.086 -0.830 1.00 0.00 H new ATOM 571 N TYR A 42 10.337 -11.466 -6.554 1.00 0.00 N ATOM 572 CA TYR A 42 9.392 -10.445 -6.990 1.00 0.00 C ATOM 573 C TYR A 42 8.157 -10.427 -6.095 1.00 0.00 C ATOM 574 O TYR A 42 7.054 -10.751 -6.535 1.00 0.00 O ATOM 575 CB TYR A 42 8.980 -10.688 -8.443 1.00 0.00 C ATOM 576 CG TYR A 42 8.924 -12.151 -8.820 1.00 0.00 C ATOM 577 CD1 TYR A 42 10.087 -12.898 -8.961 1.00 0.00 C ATOM 578 CD2 TYR A 42 7.707 -12.787 -9.034 1.00 0.00 C ATOM 579 CE1 TYR A 42 10.040 -14.235 -9.305 1.00 0.00 C ATOM 580 CE2 TYR A 42 7.651 -14.124 -9.377 1.00 0.00 C ATOM 581 CZ TYR A 42 8.820 -14.843 -9.512 1.00 0.00 C ATOM 582 OH TYR A 42 8.769 -16.175 -9.854 1.00 0.00 O ATOM 0 HA TYR A 42 9.885 -9.476 -6.917 1.00 0.00 H new ATOM 0 HB2 TYR A 42 8.001 -10.240 -8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 42 9.684 -10.178 -9.101 1.00 0.00 H new ATOM 0 HD1 TYR A 42 11.044 -12.425 -8.799 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.790 -12.227 -8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.954 -14.801 -9.411 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.697 -14.604 -9.539 1.00 0.00 H new ATOM 0 HH TYR A 42 7.834 -16.449 -9.963 1.00 0.00 H new ATOM 592 N ALA A 43 8.351 -10.047 -4.837 1.00 0.00 N ATOM 593 CA ALA A 43 7.254 -9.984 -3.880 1.00 0.00 C ATOM 594 C ALA A 43 6.400 -11.246 -3.940 1.00 0.00 C ATOM 595 O ALA A 43 6.732 -12.200 -4.644 1.00 0.00 O ATOM 596 CB ALA A 43 6.399 -8.752 -4.137 1.00 0.00 C ATOM 0 H ALA A 43 9.258 -9.778 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 43 7.681 -9.913 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.583 -8.718 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.012 -7.856 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.989 -8.798 -5.146 1.00 0.00 H new ATOM 602 N THR A 44 5.298 -11.245 -3.196 1.00 0.00 N ATOM 603 CA THR A 44 4.397 -12.390 -3.164 1.00 0.00 C ATOM 604 C THR A 44 3.221 -12.138 -2.228 1.00 0.00 C ATOM 605 O THR A 44 2.098 -12.568 -2.494 1.00 0.00 O ATOM 606 CB THR A 44 5.130 -13.669 -2.716 1.00 0.00 C ATOM 607 OG1 THR A 44 5.127 -14.632 -3.775 1.00 0.00 O ATOM 608 CG2 THR A 44 4.473 -14.264 -1.479 1.00 0.00 C ATOM 0 H THR A 44 5.008 -10.464 -2.608 1.00 0.00 H new ATOM 0 HA THR A 44 4.026 -12.529 -4.180 1.00 0.00 H new ATOM 0 HB THR A 44 6.158 -13.405 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.654 -14.292 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.008 -15.166 -1.181 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.504 -13.539 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.436 -14.514 -1.703 1.00 0.00 H new ATOM 616 N THR A 45 3.484 -11.437 -1.129 1.00 0.00 N ATOM 617 CA THR A 45 2.446 -11.128 -0.153 1.00 0.00 C ATOM 618 C THR A 45 2.587 -9.701 0.364 1.00 0.00 C ATOM 619 O THR A 45 3.697 -9.197 0.534 1.00 0.00 O ATOM 620 CB THR A 45 2.489 -12.101 1.040 1.00 0.00 C ATOM 621 OG1 THR A 45 2.441 -13.453 0.571 1.00 0.00 O ATOM 622 CG2 THR A 45 1.328 -11.846 1.988 1.00 0.00 C ATOM 0 H THR A 45 4.407 -11.073 -0.893 1.00 0.00 H new ATOM 0 HA THR A 45 1.489 -11.234 -0.664 1.00 0.00 H new ATOM 0 HB THR A 45 3.421 -11.937 1.581 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.470 -14.066 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.379 -12.545 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.384 -10.825 2.366 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.387 -11.985 1.456 1.00 0.00 H new ATOM 630 N VAL A 46 1.453 -9.053 0.614 1.00 0.00 N ATOM 631 CA VAL A 46 1.450 -7.683 1.115 1.00 0.00 C ATOM 632 C VAL A 46 0.399 -7.499 2.204 1.00 0.00 C ATOM 633 O VAL A 46 -0.740 -7.944 2.062 1.00 0.00 O ATOM 634 CB VAL A 46 1.184 -6.673 -0.016 1.00 0.00 C ATOM 635 CG1 VAL A 46 0.773 -5.325 0.557 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.411 -6.532 -0.904 1.00 0.00 C ATOM 0 H VAL A 46 0.525 -9.454 0.478 1.00 0.00 H new ATOM 0 HA VAL A 46 2.439 -7.496 1.533 1.00 0.00 H new ATOM 0 HB VAL A 46 0.362 -7.047 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.589 -4.624 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.136 -5.442 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.571 -4.941 1.193 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.205 -5.814 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.253 -6.182 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.655 -7.499 -1.344 1.00 0.00 H new ATOM 646 N GLN A 47 0.789 -6.839 3.289 1.00 0.00 N ATOM 647 CA GLN A 47 -0.121 -6.596 4.403 1.00 0.00 C ATOM 648 C GLN A 47 0.136 -5.228 5.027 1.00 0.00 C ATOM 649 O GLN A 47 1.279 -4.868 5.311 1.00 0.00 O ATOM 650 CB GLN A 47 0.032 -7.689 5.462 1.00 0.00 C ATOM 651 CG GLN A 47 1.390 -7.690 6.144 1.00 0.00 C ATOM 652 CD GLN A 47 1.518 -8.781 7.189 1.00 0.00 C ATOM 653 OE1 GLN A 47 1.739 -8.503 8.368 1.00 0.00 O ATOM 654 NE2 GLN A 47 1.379 -10.030 6.761 1.00 0.00 N ATOM 0 H GLN A 47 1.728 -6.463 3.421 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.140 -6.614 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.744 -7.563 6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.132 -8.660 4.996 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.169 -7.819 5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.557 -6.721 6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.197 -10.214 5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.455 -10.806 7.419 1.00 0.00 H new ATOM 663 N VAL A 48 -0.934 -4.468 5.236 1.00 0.00 N ATOM 664 CA VAL A 48 -0.825 -3.140 5.827 1.00 0.00 C ATOM 665 C VAL A 48 -0.481 -3.224 7.310 1.00 0.00 C ATOM 666 O VAL A 48 -1.180 -3.878 8.085 1.00 0.00 O ATOM 667 CB VAL A 48 -2.132 -2.341 5.659 1.00 0.00 C ATOM 668 CG1 VAL A 48 -1.926 -0.889 6.064 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.634 -2.439 4.227 1.00 0.00 C ATOM 0 H VAL A 48 -1.887 -4.750 5.005 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.022 -2.625 5.300 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.889 -2.771 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.859 -0.340 5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.615 -0.843 7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.155 -0.442 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.558 -1.869 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.882 -2.035 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.823 -3.483 3.978 1.00 0.00 H new ATOM 679 N LYS A 49 0.601 -2.559 7.700 1.00 0.00 N ATOM 680 CA LYS A 49 1.038 -2.556 9.091 1.00 0.00 C ATOM 681 C LYS A 49 0.430 -1.381 9.850 1.00 0.00 C ATOM 682 O LYS A 49 -0.345 -1.571 10.786 1.00 0.00 O ATOM 683 CB LYS A 49 2.565 -2.491 9.166 1.00 0.00 C ATOM 684 CG LYS A 49 3.110 -2.609 10.579 1.00 0.00 C ATOM 685 CD LYS A 49 3.749 -1.310 11.041 1.00 0.00 C ATOM 686 CE LYS A 49 4.183 -1.388 12.496 1.00 0.00 C ATOM 687 NZ LYS A 49 3.584 -2.562 13.191 1.00 0.00 N ATOM 0 H LYS A 49 1.192 -2.015 7.072 1.00 0.00 H new ATOM 0 HA LYS A 49 0.696 -3.481 9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.985 -3.291 8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.902 -1.549 8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.303 -2.881 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.846 -3.412 10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.612 -1.085 10.415 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.041 -0.490 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.270 -1.451 12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.892 -0.473 13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.877 -2.561 14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.547 -2.507 13.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.910 -3.438 12.736 1.00 0.00 H new ATOM 701 N GLU A 50 0.787 -0.168 9.439 1.00 0.00 N ATOM 702 CA GLU A 50 0.276 1.037 10.081 1.00 0.00 C ATOM 703 C GLU A 50 -0.285 2.009 9.047 1.00 0.00 C ATOM 704 O GLU A 50 0.233 2.116 7.935 1.00 0.00 O ATOM 705 CB GLU A 50 1.380 1.718 10.892 1.00 0.00 C ATOM 706 CG GLU A 50 1.279 1.470 12.387 1.00 0.00 C ATOM 707 CD GLU A 50 0.958 2.731 13.167 1.00 0.00 C ATOM 708 OE1 GLU A 50 1.803 3.650 13.182 1.00 0.00 O ATOM 709 OE2 GLU A 50 -0.138 2.797 13.762 1.00 0.00 O ATOM 0 H GLU A 50 1.428 0.006 8.665 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.530 0.745 10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.349 1.365 10.539 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.345 2.792 10.707 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.507 0.724 12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.220 1.054 12.747 1.00 0.00 H new ATOM 716 N VAL A 51 -1.347 2.715 9.421 1.00 0.00 N ATOM 717 CA VAL A 51 -1.978 3.678 8.528 1.00 0.00 C ATOM 718 C VAL A 51 -2.381 4.943 9.278 1.00 0.00 C ATOM 719 O VAL A 51 -3.057 4.878 10.304 1.00 0.00 O ATOM 720 CB VAL A 51 -3.223 3.080 7.846 1.00 0.00 C ATOM 721 CG1 VAL A 51 -3.651 3.939 6.667 1.00 0.00 C ATOM 722 CG2 VAL A 51 -2.952 1.650 7.404 1.00 0.00 C ATOM 0 H VAL A 51 -1.788 2.638 10.337 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.241 3.931 7.765 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.039 3.065 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.532 3.500 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.888 4.944 7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.840 3.989 5.940 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.842 1.243 6.924 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.122 1.639 6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.698 1.043 8.273 1.00 0.00 H new ATOM 732 N ASN A 52 -1.962 6.092 8.759 1.00 0.00 N ATOM 733 CA ASN A 52 -2.279 7.372 9.381 1.00 0.00 C ATOM 734 C ASN A 52 -3.511 8.000 8.736 1.00 0.00 C ATOM 735 O ASN A 52 -3.576 8.152 7.516 1.00 0.00 O ATOM 736 CB ASN A 52 -1.089 8.327 9.268 1.00 0.00 C ATOM 737 CG ASN A 52 -0.151 8.225 10.455 1.00 0.00 C ATOM 738 OD1 ASN A 52 -0.292 7.337 11.297 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.812 9.136 10.528 1.00 0.00 N ATOM 0 H ASN A 52 -1.402 6.163 7.909 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.493 7.192 10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.538 8.110 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.455 9.350 9.184 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.473 9.118 11.305 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.891 9.854 9.807 1.00 0.00 H new ATOM 746 N ARG A 53 -4.486 8.362 9.563 1.00 0.00 N ATOM 747 CA ARG A 53 -5.716 8.973 9.074 1.00 0.00 C ATOM 748 C ARG A 53 -5.555 10.483 8.932 1.00 0.00 C ATOM 749 O ARG A 53 -6.243 11.119 8.134 1.00 0.00 O ATOM 750 CB ARG A 53 -6.877 8.660 10.020 1.00 0.00 C ATOM 751 CG ARG A 53 -7.172 7.174 10.151 1.00 0.00 C ATOM 752 CD ARG A 53 -7.274 6.753 11.609 1.00 0.00 C ATOM 753 NE ARG A 53 -5.961 6.512 12.202 1.00 0.00 N ATOM 754 CZ ARG A 53 -5.766 6.322 13.502 1.00 0.00 C ATOM 755 NH1 ARG A 53 -6.793 6.344 14.340 1.00 0.00 N ATOM 756 NH2 ARG A 53 -4.541 6.108 13.965 1.00 0.00 N ATOM 0 H ARG A 53 -4.448 8.243 10.575 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.933 8.555 8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.650 9.065 11.006 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.772 9.170 9.664 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.105 6.940 9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.386 6.601 9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.791 7.528 12.175 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.877 5.848 11.684 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.150 6.488 11.584 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.736 6.507 13.987 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.640 6.198 15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.749 6.089 13.323 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.391 5.962 14.963 1.00 0.00 H new ATOM 770 N MET A 54 -4.641 11.051 9.713 1.00 0.00 N ATOM 771 CA MET A 54 -4.389 12.487 9.673 1.00 0.00 C ATOM 772 C MET A 54 -3.564 12.861 8.446 1.00 0.00 C ATOM 773 O MET A 54 -3.279 14.036 8.211 1.00 0.00 O ATOM 774 CB MET A 54 -3.665 12.935 10.944 1.00 0.00 C ATOM 775 CG MET A 54 -4.544 13.730 11.896 1.00 0.00 C ATOM 776 SD MET A 54 -5.103 12.754 13.305 1.00 0.00 S ATOM 777 CE MET A 54 -3.538 12.191 13.969 1.00 0.00 C ATOM 0 H MET A 54 -4.063 10.539 10.380 1.00 0.00 H new ATOM 0 HA MET A 54 -5.350 12.997 9.612 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.283 12.056 11.464 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.803 13.541 10.667 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.991 14.597 12.256 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.411 14.108 11.354 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.589 12.176 15.058 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.327 11.186 13.602 1.00 0.00 H new ATOM 0 HE3 MET A 54 -2.744 12.867 13.652 1.00 0.00 H new ATOM 787 N HIS A 55 -3.182 11.854 7.666 1.00 0.00 N ATOM 788 CA HIS A 55 -2.390 12.078 6.462 1.00 0.00 C ATOM 789 C HIS A 55 -3.216 11.804 5.209 1.00 0.00 C ATOM 790 O HIS A 55 -3.215 12.598 4.268 1.00 0.00 O ATOM 791 CB HIS A 55 -1.146 11.188 6.472 1.00 0.00 C ATOM 792 CG HIS A 55 -0.037 11.719 7.327 1.00 0.00 C ATOM 793 ND1 HIS A 55 1.053 12.390 6.814 1.00 0.00 N ATOM 794 CD2 HIS A 55 0.147 11.675 8.667 1.00 0.00 C ATOM 795 CE1 HIS A 55 1.859 12.735 7.802 1.00 0.00 C ATOM 796 NE2 HIS A 55 1.332 12.313 8.937 1.00 0.00 N ATOM 0 H HIS A 55 -3.408 10.876 7.846 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.080 13.123 6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.423 10.195 6.826 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.783 11.073 5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.515 11.222 9.390 1.00 0.00 H new ATOM 0 HE1 HIS A 55 2.791 13.271 7.699 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.739 12.440 9.863 1.00 0.00 H new ATOM 805 N ILE A 56 -3.918 10.676 5.204 1.00 0.00 N ATOM 806 CA ILE A 56 -4.748 10.299 4.067 1.00 0.00 C ATOM 807 C ILE A 56 -6.030 11.123 4.024 1.00 0.00 C ATOM 808 O ILE A 56 -6.772 11.085 3.043 1.00 0.00 O ATOM 809 CB ILE A 56 -5.113 8.803 4.108 1.00 0.00 C ATOM 810 CG1 ILE A 56 -3.857 7.944 3.946 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.129 8.476 3.024 1.00 0.00 C ATOM 812 CD1 ILE A 56 -3.905 6.650 4.728 1.00 0.00 C ATOM 0 H ILE A 56 -3.928 10.008 5.974 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.162 10.497 3.170 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.560 8.580 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.717 7.716 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.989 8.520 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.377 7.415 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.032 9.066 3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.707 8.712 2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.982 6.093 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.014 6.870 5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.753 6.053 4.392 1.00 0.00 H new ATOM 824 N SER A 57 -6.283 11.868 5.095 1.00 0.00 N ATOM 825 CA SER A 57 -7.477 12.701 5.182 1.00 0.00 C ATOM 826 C SER A 57 -8.741 11.853 5.071 1.00 0.00 C ATOM 827 O SER A 57 -8.723 10.729 4.568 1.00 0.00 O ATOM 828 CB SER A 57 -7.465 13.763 4.081 1.00 0.00 C ATOM 829 OG SER A 57 -7.154 15.041 4.608 1.00 0.00 O ATOM 0 H SER A 57 -5.677 11.912 5.915 1.00 0.00 H new ATOM 0 HA SER A 57 -7.475 13.194 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.734 13.493 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.439 13.795 3.592 1.00 0.00 H new ATOM 0 HG SER A 57 -7.151 15.702 3.884 1.00 0.00 H new ATOM 835 N PRO A 58 -9.865 12.402 5.553 1.00 0.00 N ATOM 836 CA PRO A 58 -11.159 11.714 5.520 1.00 0.00 C ATOM 837 C PRO A 58 -11.712 11.586 4.105 1.00 0.00 C ATOM 838 O PRO A 58 -12.234 12.548 3.543 1.00 0.00 O ATOM 839 CB PRO A 58 -12.062 12.616 6.367 1.00 0.00 C ATOM 840 CG PRO A 58 -11.442 13.967 6.273 1.00 0.00 C ATOM 841 CD PRO A 58 -9.960 13.738 6.167 1.00 0.00 C ATOM 0 HA PRO A 58 -11.086 10.691 5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.084 12.622 5.987 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.108 12.272 7.400 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.816 14.508 5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.682 14.568 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.479 14.498 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.478 13.767 7.144 1.00 0.00 H new ATOM 849 N ASN A 59 -11.594 10.392 3.534 1.00 0.00 N ATOM 850 CA ASN A 59 -12.082 10.138 2.183 1.00 0.00 C ATOM 851 C ASN A 59 -11.689 8.740 1.717 1.00 0.00 C ATOM 852 O ASN A 59 -12.541 7.945 1.322 1.00 0.00 O ATOM 853 CB ASN A 59 -11.529 11.185 1.214 1.00 0.00 C ATOM 854 CG ASN A 59 -12.627 11.986 0.540 1.00 0.00 C ATOM 855 OD1 ASN A 59 -13.362 11.467 -0.300 1.00 0.00 O ATOM 856 ND2 ASN A 59 -12.742 13.257 0.906 1.00 0.00 N ATOM 0 H ASN A 59 -11.165 9.585 3.986 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.170 10.204 2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.868 11.863 1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.925 10.689 0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.462 13.845 0.487 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.110 13.645 1.607 1.00 0.00 H new ATOM 863 N ASN A 60 -10.393 8.447 1.766 1.00 0.00 N ATOM 864 CA ASN A 60 -9.888 7.145 1.348 1.00 0.00 C ATOM 865 C ASN A 60 -9.375 6.351 2.546 1.00 0.00 C ATOM 866 O ASN A 60 -8.788 5.280 2.389 1.00 0.00 O ATOM 867 CB ASN A 60 -8.769 7.315 0.318 1.00 0.00 C ATOM 868 CG ASN A 60 -8.488 8.772 0.006 1.00 0.00 C ATOM 869 OD1 ASN A 60 -8.111 9.546 0.887 1.00 0.00 O ATOM 870 ND2 ASN A 60 -8.670 9.153 -1.253 1.00 0.00 N ATOM 0 H ASN A 60 -9.674 9.094 2.091 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.710 6.593 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.860 6.844 0.692 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.042 6.796 -0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.496 10.121 -1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.983 8.477 -1.950 1.00 0.00 H new ATOM 877 N ARG A 61 -9.600 6.884 3.743 1.00 0.00 N ATOM 878 CA ARG A 61 -9.161 6.226 4.967 1.00 0.00 C ATOM 879 C ARG A 61 -10.116 5.099 5.352 1.00 0.00 C ATOM 880 O ARG A 61 -9.732 4.157 6.043 1.00 0.00 O ATOM 881 CB ARG A 61 -9.063 7.239 6.109 1.00 0.00 C ATOM 882 CG ARG A 61 -10.309 7.299 6.978 1.00 0.00 C ATOM 883 CD ARG A 61 -10.119 8.235 8.161 1.00 0.00 C ATOM 884 NE ARG A 61 -10.753 7.722 9.372 1.00 0.00 N ATOM 885 CZ ARG A 61 -12.061 7.777 9.597 1.00 0.00 C ATOM 886 NH1 ARG A 61 -12.870 8.319 8.697 1.00 0.00 N ATOM 887 NH2 ARG A 61 -12.563 7.288 10.724 1.00 0.00 N ATOM 0 H ARG A 61 -10.084 7.770 3.891 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.175 5.797 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.206 6.988 6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.874 8.228 5.691 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.156 7.635 6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.551 6.299 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.054 8.378 8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.536 9.213 7.920 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.159 7.298 10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.488 8.695 7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.874 8.360 8.873 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.944 6.869 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.568 7.331 10.896 1.00 0.00 H new ATOM 901 N ASN A 62 -11.361 5.205 4.899 1.00 0.00 N ATOM 902 CA ASN A 62 -12.371 4.197 5.197 1.00 0.00 C ATOM 903 C ASN A 62 -12.074 2.895 4.459 1.00 0.00 C ATOM 904 O ASN A 62 -12.352 1.807 4.961 1.00 0.00 O ATOM 905 CB ASN A 62 -13.761 4.708 4.813 1.00 0.00 C ATOM 906 CG ASN A 62 -14.010 4.639 3.319 1.00 0.00 C ATOM 907 OD1 ASN A 62 -13.542 5.489 2.561 1.00 0.00 O ATOM 908 ND2 ASN A 62 -14.750 3.625 2.888 1.00 0.00 N ATOM 0 H ASN A 62 -11.694 5.979 4.324 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.347 4.000 6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.518 4.120 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.872 5.739 5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.951 3.527 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.118 2.943 3.552 1.00 0.00 H new ATOM 915 N ALA A 63 -11.506 3.015 3.263 1.00 0.00 N ATOM 916 CA ALA A 63 -11.169 1.849 2.456 1.00 0.00 C ATOM 917 C ALA A 63 -9.917 1.158 2.987 1.00 0.00 C ATOM 918 O ALA A 63 -9.919 -0.049 3.230 1.00 0.00 O ATOM 919 CB ALA A 63 -10.976 2.251 1.002 1.00 0.00 C ATOM 0 H ALA A 63 -11.270 3.909 2.832 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.997 1.143 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.725 1.370 0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.897 2.693 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.168 2.979 0.930 1.00 0.00 H new ATOM 925 N ILE A 64 -8.850 1.931 3.163 1.00 0.00 N ATOM 926 CA ILE A 64 -7.592 1.393 3.665 1.00 0.00 C ATOM 927 C ILE A 64 -7.530 1.468 5.187 1.00 0.00 C ATOM 928 O ILE A 64 -8.263 2.236 5.812 1.00 0.00 O ATOM 929 CB ILE A 64 -6.384 2.143 3.075 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.174 1.211 2.980 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.053 3.363 3.922 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.410 1.344 1.682 1.00 0.00 C ATOM 0 H ILE A 64 -8.832 2.931 2.965 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.548 0.349 3.354 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.640 2.480 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.500 1.418 3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.510 0.180 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.197 3.883 3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.911 4.034 3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.813 3.047 4.937 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.566 0.654 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.069 1.109 0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.043 2.365 1.579 1.00 0.00 H new ATOM 944 N HIS A 65 -6.649 0.667 5.778 1.00 0.00 N ATOM 945 CA HIS A 65 -6.489 0.645 7.228 1.00 0.00 C ATOM 946 C HIS A 65 -5.664 -0.562 7.665 1.00 0.00 C ATOM 947 O HIS A 65 -5.426 -1.493 6.896 1.00 0.00 O ATOM 948 CB HIS A 65 -7.856 0.619 7.913 1.00 0.00 C ATOM 949 CG HIS A 65 -8.223 1.914 8.568 1.00 0.00 C ATOM 950 ND1 HIS A 65 -8.975 1.988 9.722 1.00 0.00 N ATOM 951 CD2 HIS A 65 -7.935 3.192 8.226 1.00 0.00 C ATOM 952 CE1 HIS A 65 -9.135 3.255 10.060 1.00 0.00 C ATOM 953 NE2 HIS A 65 -8.514 4.006 9.169 1.00 0.00 N ATOM 0 H HIS A 65 -6.035 0.025 5.276 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.960 1.551 7.524 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.618 0.366 7.176 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.862 -0.172 8.663 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -9.349 1.189 10.234 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.358 3.512 7.371 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.681 3.615 10.919 1.00 0.00 H new ATOM 962 N PRO A 66 -5.217 -0.547 8.929 1.00 0.00 N ATOM 963 CA PRO A 66 -4.412 -1.633 9.497 1.00 0.00 C ATOM 964 C PRO A 66 -5.219 -2.911 9.694 1.00 0.00 C ATOM 965 O PRO A 66 -6.065 -2.991 10.584 1.00 0.00 O ATOM 966 CB PRO A 66 -3.961 -1.071 10.847 1.00 0.00 C ATOM 967 CG PRO A 66 -4.997 -0.062 11.204 1.00 0.00 C ATOM 968 CD PRO A 66 -5.462 0.531 9.902 1.00 0.00 C ATOM 0 HA PRO A 66 -3.589 -1.916 8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.897 -1.856 11.601 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.973 -0.616 10.776 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.825 -0.526 11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.585 0.706 11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.516 0.806 9.940 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.905 1.434 9.650 1.00 0.00 H new ATOM 976 N GLY A 67 -4.952 -3.910 8.858 1.00 0.00 N ATOM 977 CA GLY A 67 -5.662 -5.171 8.959 1.00 0.00 C ATOM 978 C GLY A 67 -6.052 -5.726 7.603 1.00 0.00 C ATOM 979 O GLY A 67 -6.494 -6.870 7.497 1.00 0.00 O ATOM 0 H GLY A 67 -4.257 -3.868 8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.036 -5.896 9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.559 -5.032 9.563 1.00 0.00 H new ATOM 983 N ASP A 68 -5.890 -4.914 6.564 1.00 0.00 N ATOM 984 CA ASP A 68 -6.229 -5.330 5.208 1.00 0.00 C ATOM 985 C ASP A 68 -4.987 -5.800 4.458 1.00 0.00 C ATOM 986 O ASP A 68 -3.871 -5.719 4.972 1.00 0.00 O ATOM 987 CB ASP A 68 -6.894 -4.180 4.450 1.00 0.00 C ATOM 988 CG ASP A 68 -8.011 -3.532 5.245 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.883 -4.269 5.752 1.00 0.00 O ATOM 990 OD2 ASP A 68 -8.013 -2.289 5.360 1.00 0.00 O ATOM 0 H ASP A 68 -5.526 -3.964 6.635 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.929 -6.163 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.144 -3.429 4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.292 -4.553 3.506 1.00 0.00 H new ATOM 995 N ARG A 69 -5.189 -6.291 3.239 1.00 0.00 N ATOM 996 CA ARG A 69 -4.085 -6.775 2.419 1.00 0.00 C ATOM 997 C ARG A 69 -4.182 -6.226 0.998 1.00 0.00 C ATOM 998 O ARG A 69 -5.203 -6.384 0.329 1.00 0.00 O ATOM 999 CB ARG A 69 -4.080 -8.305 2.385 1.00 0.00 C ATOM 1000 CG ARG A 69 -5.468 -8.920 2.445 1.00 0.00 C ATOM 1001 CD ARG A 69 -5.460 -10.361 1.959 1.00 0.00 C ATOM 1002 NE ARG A 69 -5.331 -11.310 3.062 1.00 0.00 N ATOM 1003 CZ ARG A 69 -5.025 -12.592 2.897 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -4.817 -13.076 1.680 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -4.926 -13.393 3.950 1.00 0.00 N ATOM 0 H ARG A 69 -6.106 -6.364 2.798 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.154 -6.424 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.583 -8.638 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.491 -8.677 3.223 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.840 -8.882 3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.154 -8.333 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.381 -10.564 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.636 -10.503 1.260 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.484 -10.969 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.892 -12.463 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.582 -14.061 1.556 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.085 -13.025 4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.691 -14.377 3.822 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.113 -5.580 0.546 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.077 -5.007 -0.794 1.00 0.00 C ATOM 1021 C ILE A 70 -2.800 -6.079 -1.843 1.00 0.00 C ATOM 1022 O ILE A 70 -1.838 -6.840 -1.730 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.007 -3.906 -0.908 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.260 -2.810 0.130 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -1.995 -3.321 -2.312 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.227 -2.773 1.234 1.00 0.00 C ATOM 0 H ILE A 70 -2.260 -5.440 1.088 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.058 -4.568 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.030 -4.348 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.278 -1.843 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.246 -2.959 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.233 -2.544 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.772 -4.108 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.971 -2.891 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.470 -1.972 1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.224 -3.727 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.242 -2.593 0.804 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.648 -6.133 -2.864 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.494 -7.111 -3.935 1.00 0.00 C ATOM 1040 C LEU A 71 -2.793 -6.493 -5.140 1.00 0.00 C ATOM 1041 O LEU A 71 -1.869 -7.081 -5.701 1.00 0.00 O ATOM 1042 CB LEU A 71 -4.860 -7.659 -4.352 1.00 0.00 C ATOM 1043 CG LEU A 71 -5.911 -7.755 -3.246 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -7.231 -8.263 -3.805 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -5.423 -8.659 -2.123 1.00 0.00 C ATOM 0 H LEU A 71 -4.449 -5.511 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.879 -7.930 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.255 -7.027 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.716 -8.653 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.073 -6.757 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.966 -8.325 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.589 -7.577 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.085 -9.252 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.184 -8.715 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.232 -9.657 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.503 -8.253 -1.702 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.236 -5.302 -5.531 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.649 -4.604 -6.668 1.00 0.00 C ATOM 1059 C GLU A 72 -2.348 -3.150 -6.318 1.00 0.00 C ATOM 1060 O GLU A 72 -3.082 -2.519 -5.556 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.589 -4.666 -7.874 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.856 -6.078 -8.365 1.00 0.00 C ATOM 1063 CD GLU A 72 -4.821 -6.116 -9.535 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -5.246 -5.033 -9.988 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -5.150 -7.228 -9.997 1.00 0.00 O ATOM 0 H GLU A 72 -3.999 -4.801 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.712 -5.100 -6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.537 -4.197 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.160 -4.082 -8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.914 -6.540 -8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.260 -6.673 -7.546 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.264 -2.624 -6.878 1.00 0.00 N ATOM 1073 CA ILE A 73 -0.866 -1.245 -6.626 1.00 0.00 C ATOM 1074 C ILE A 73 -0.744 -0.461 -7.928 1.00 0.00 C ATOM 1075 O ILE A 73 -0.097 -0.907 -8.874 1.00 0.00 O ATOM 1076 CB ILE A 73 0.473 -1.175 -5.869 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.333 -1.800 -4.480 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.946 0.268 -5.762 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.618 -1.793 -3.682 1.00 0.00 C ATOM 0 H ILE A 73 -0.645 -3.133 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.646 -0.799 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 73 1.219 -1.741 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.434 -1.261 -3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.014 -2.828 -4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.894 0.301 -5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.081 0.682 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.202 0.856 -5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.444 -2.251 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.382 -2.357 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.955 -0.766 -3.544 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.368 0.712 -7.968 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.328 1.559 -9.154 1.00 0.00 C ATOM 1093 C ASN A 74 -1.916 0.834 -10.361 1.00 0.00 C ATOM 1094 O ASN A 74 -1.756 1.272 -11.500 1.00 0.00 O ATOM 1095 CB ASN A 74 0.110 1.986 -9.452 1.00 0.00 C ATOM 1096 CG ASN A 74 0.490 3.273 -8.745 1.00 0.00 C ATOM 1097 OD1 ASN A 74 -0.152 4.308 -8.927 1.00 0.00 O ATOM 1098 ND2 ASN A 74 1.538 3.213 -7.932 1.00 0.00 N ATOM 0 H ASN A 74 -1.907 1.097 -7.193 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.930 2.446 -8.957 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.792 1.192 -9.147 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.232 2.116 -10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.841 4.046 -7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.040 2.333 -7.812 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.597 -0.278 -10.103 1.00 0.00 N ATOM 1106 CA GLY A 75 -3.199 -1.046 -11.177 1.00 0.00 C ATOM 1107 C GLY A 75 -2.289 -2.147 -11.683 1.00 0.00 C ATOM 1108 O GLY A 75 -2.287 -2.464 -12.873 1.00 0.00 O ATOM 0 H GLY A 75 -2.743 -0.661 -9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.134 -1.484 -10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.449 -0.378 -12.001 1.00 0.00 H new ATOM 1112 N THR A 76 -1.511 -2.732 -10.778 1.00 0.00 N ATOM 1113 CA THR A 76 -0.589 -3.802 -11.139 1.00 0.00 C ATOM 1114 C THR A 76 -0.474 -4.829 -10.019 1.00 0.00 C ATOM 1115 O THR A 76 -0.553 -4.504 -8.835 1.00 0.00 O ATOM 1116 CB THR A 76 0.812 -3.251 -11.462 1.00 0.00 C ATOM 1117 OG1 THR A 76 0.892 -1.869 -11.097 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.128 -3.409 -12.942 1.00 0.00 C ATOM 0 H THR A 76 -1.501 -2.483 -9.789 1.00 0.00 H new ATOM 0 HA THR A 76 -0.995 -4.283 -12.029 1.00 0.00 H new ATOM 0 HB THR A 76 1.543 -3.820 -10.888 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.680 -1.769 -10.145 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.123 -3.013 -13.146 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.096 -4.465 -13.210 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.392 -2.863 -13.532 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.281 -6.101 -10.400 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.149 -7.203 -9.442 1.00 0.00 C ATOM 1128 C PRO A 77 1.158 -7.136 -8.659 1.00 0.00 C ATOM 1129 O PRO A 77 2.225 -6.913 -9.230 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.179 -8.450 -10.329 1.00 0.00 C ATOM 1131 CG PRO A 77 0.302 -7.981 -11.658 1.00 0.00 C ATOM 1132 CD PRO A 77 -0.178 -6.562 -11.795 1.00 0.00 C ATOM 0 HA PRO A 77 -0.934 -7.183 -8.686 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.463 -9.235 -9.930 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.185 -8.864 -10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.389 -8.033 -11.720 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.093 -8.606 -12.459 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.522 -5.954 -12.368 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.139 -6.510 -12.307 1.00 0.00 H new ATOM 1140 N VAL A 78 1.067 -7.332 -7.347 1.00 0.00 N ATOM 1141 CA VAL A 78 2.243 -7.296 -6.486 1.00 0.00 C ATOM 1142 C VAL A 78 2.913 -8.663 -6.414 1.00 0.00 C ATOM 1143 O VAL A 78 4.017 -8.797 -5.884 1.00 0.00 O ATOM 1144 CB VAL A 78 1.880 -6.838 -5.060 1.00 0.00 C ATOM 1145 CG1 VAL A 78 1.029 -5.578 -5.104 1.00 0.00 C ATOM 1146 CG2 VAL A 78 1.163 -7.950 -4.310 1.00 0.00 C ATOM 0 H VAL A 78 0.191 -7.517 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 78 2.936 -6.578 -6.925 1.00 0.00 H new ATOM 0 HB VAL A 78 2.801 -6.606 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.783 -5.270 -4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.583 -4.782 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.110 -5.779 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.914 -7.609 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.248 -8.215 -4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.812 -8.823 -4.247 1.00 0.00 H new ATOM 1156 N ARG A 79 2.240 -9.675 -6.951 1.00 0.00 N ATOM 1157 CA ARG A 79 2.771 -11.033 -6.947 1.00 0.00 C ATOM 1158 C ARG A 79 3.718 -11.250 -8.123 1.00 0.00 C ATOM 1159 O ARG A 79 4.333 -12.309 -8.253 1.00 0.00 O ATOM 1160 CB ARG A 79 1.629 -12.050 -7.003 1.00 0.00 C ATOM 1161 CG ARG A 79 0.550 -11.698 -8.015 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.744 -11.289 -7.330 1.00 0.00 C ATOM 1163 NE ARG A 79 -1.445 -12.434 -6.754 1.00 0.00 N ATOM 1164 CZ ARG A 79 -2.614 -12.342 -6.131 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -3.212 -11.165 -6.005 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -3.189 -13.429 -5.633 1.00 0.00 N ATOM 0 H ARG A 79 1.326 -9.581 -7.394 1.00 0.00 H new ATOM 0 HA ARG A 79 3.330 -11.175 -6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.038 -13.030 -7.247 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.176 -12.130 -6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.898 -10.885 -8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.365 -12.554 -8.664 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.525 -10.566 -6.545 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.394 -10.791 -8.050 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.013 -13.354 -6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.774 -10.327 -6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.110 -11.098 -5.526 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.733 -14.336 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.087 -13.357 -5.155 1.00 0.00 H new ATOM 1180 N THR A 80 3.831 -10.240 -8.980 1.00 0.00 N ATOM 1181 CA THR A 80 4.701 -10.320 -10.146 1.00 0.00 C ATOM 1182 C THR A 80 5.709 -9.176 -10.160 1.00 0.00 C ATOM 1183 O THR A 80 6.767 -9.275 -10.783 1.00 0.00 O ATOM 1184 CB THR A 80 3.890 -10.290 -11.455 1.00 0.00 C ATOM 1185 OG1 THR A 80 3.602 -8.936 -11.822 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.591 -11.067 -11.305 1.00 0.00 C ATOM 0 H THR A 80 3.330 -9.356 -8.888 1.00 0.00 H new ATOM 0 HA THR A 80 5.233 -11.269 -10.078 1.00 0.00 H new ATOM 0 HB THR A 80 4.487 -10.759 -12.237 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.101 -8.925 -12.664 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.036 -11.032 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.814 -12.104 -11.055 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.991 -10.623 -10.511 1.00 0.00 H new ATOM 1194 N LEU A 81 5.375 -8.092 -9.469 1.00 0.00 N ATOM 1195 CA LEU A 81 6.252 -6.928 -9.401 1.00 0.00 C ATOM 1196 C LEU A 81 7.465 -7.212 -8.521 1.00 0.00 C ATOM 1197 O LEU A 81 7.422 -8.078 -7.647 1.00 0.00 O ATOM 1198 CB LEU A 81 5.487 -5.719 -8.861 1.00 0.00 C ATOM 1199 CG LEU A 81 4.585 -4.994 -9.860 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.863 -3.838 -9.186 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.396 -4.499 -11.049 1.00 0.00 C ATOM 0 H LEU A 81 4.504 -7.994 -8.948 1.00 0.00 H new ATOM 0 HA LEU A 81 6.601 -6.707 -10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.875 -6.047 -8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.209 -5.003 -8.468 1.00 0.00 H new ATOM 0 HG LEU A 81 3.838 -5.699 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.226 -3.334 -9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.251 -4.219 -8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.594 -3.132 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.738 -3.985 -11.750 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.166 -3.810 -10.703 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.866 -5.347 -11.547 1.00 0.00 H new ATOM 1213 N ARG A 82 8.546 -6.474 -8.756 1.00 0.00 N ATOM 1214 CA ARG A 82 9.771 -6.646 -7.984 1.00 0.00 C ATOM 1215 C ARG A 82 9.619 -6.053 -6.586 1.00 0.00 C ATOM 1216 O ARG A 82 8.819 -5.143 -6.369 1.00 0.00 O ATOM 1217 CB ARG A 82 10.949 -5.987 -8.703 1.00 0.00 C ATOM 1218 CG ARG A 82 11.154 -6.491 -10.123 1.00 0.00 C ATOM 1219 CD ARG A 82 12.629 -6.521 -10.495 1.00 0.00 C ATOM 1220 NE ARG A 82 12.833 -6.368 -11.933 1.00 0.00 N ATOM 1221 CZ ARG A 82 14.023 -6.165 -12.488 1.00 0.00 C ATOM 1222 NH1 ARG A 82 15.108 -6.093 -11.731 1.00 0.00 N ATOM 1223 NH2 ARG A 82 14.128 -6.036 -13.805 1.00 0.00 N ATOM 0 H ARG A 82 8.598 -5.752 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 82 9.964 -7.715 -7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.791 -4.909 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.859 -6.163 -8.129 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.733 -7.492 -10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.615 -5.849 -10.820 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.152 -5.723 -9.968 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.067 -7.463 -10.165 1.00 0.00 H new ATOM 0 HE ARG A 82 12.018 -6.420 -12.544 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.031 -6.194 -10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.020 -5.937 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.295 -6.093 -14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.042 -5.880 -14.231 1.00 0.00 H new ATOM 1237 N VAL A 83 10.393 -6.577 -5.640 1.00 0.00 N ATOM 1238 CA VAL A 83 10.345 -6.100 -4.263 1.00 0.00 C ATOM 1239 C VAL A 83 10.465 -4.581 -4.203 1.00 0.00 C ATOM 1240 O VAL A 83 9.649 -3.909 -3.574 1.00 0.00 O ATOM 1241 CB VAL A 83 11.467 -6.727 -3.413 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.431 -6.180 -1.994 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.349 -8.243 -3.411 1.00 0.00 C ATOM 0 H VAL A 83 11.060 -7.331 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 83 9.380 -6.401 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 83 12.427 -6.460 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.230 -6.634 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.567 -5.099 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.469 -6.415 -1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.149 -8.669 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.385 -8.532 -2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.428 -8.615 -4.432 1.00 0.00 H new ATOM 1253 N GLU A 84 11.489 -4.047 -4.862 1.00 0.00 N ATOM 1254 CA GLU A 84 11.715 -2.607 -4.883 1.00 0.00 C ATOM 1255 C GLU A 84 10.523 -1.878 -5.495 1.00 0.00 C ATOM 1256 O GLU A 84 10.236 -0.734 -5.144 1.00 0.00 O ATOM 1257 CB GLU A 84 12.986 -2.280 -5.669 1.00 0.00 C ATOM 1258 CG GLU A 84 12.835 -2.458 -7.171 1.00 0.00 C ATOM 1259 CD GLU A 84 14.116 -2.926 -7.834 1.00 0.00 C ATOM 1260 OE1 GLU A 84 14.994 -2.077 -8.096 1.00 0.00 O ATOM 1261 OE2 GLU A 84 14.240 -4.142 -8.092 1.00 0.00 O ATOM 0 H GLU A 84 12.174 -4.590 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 84 11.836 -2.269 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.277 -1.250 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.796 -2.918 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.043 -3.180 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.524 -1.513 -7.616 1.00 0.00 H new ATOM 1268 N GLU A 85 9.833 -2.549 -6.411 1.00 0.00 N ATOM 1269 CA GLU A 85 8.672 -1.964 -7.073 1.00 0.00 C ATOM 1270 C GLU A 85 7.513 -1.801 -6.094 1.00 0.00 C ATOM 1271 O GLU A 85 6.832 -0.776 -6.086 1.00 0.00 O ATOM 1272 CB GLU A 85 8.239 -2.834 -8.254 1.00 0.00 C ATOM 1273 CG GLU A 85 8.386 -2.148 -9.602 1.00 0.00 C ATOM 1274 CD GLU A 85 9.835 -1.953 -10.002 1.00 0.00 C ATOM 1275 OE1 GLU A 85 10.709 -2.015 -9.112 1.00 0.00 O ATOM 1276 OE2 GLU A 85 10.096 -1.736 -11.204 1.00 0.00 O ATOM 0 H GLU A 85 10.057 -3.498 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 85 8.954 -0.978 -7.442 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.830 -3.750 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.198 -3.127 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.879 -2.740 -10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.889 -1.179 -9.568 1.00 0.00 H new ATOM 1283 N VAL A 86 7.294 -2.821 -5.270 1.00 0.00 N ATOM 1284 CA VAL A 86 6.217 -2.792 -4.287 1.00 0.00 C ATOM 1285 C VAL A 86 6.471 -1.728 -3.226 1.00 0.00 C ATOM 1286 O VAL A 86 5.535 -1.206 -2.620 1.00 0.00 O ATOM 1287 CB VAL A 86 6.050 -4.159 -3.598 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.742 -4.210 -2.823 1.00 0.00 C ATOM 1289 CG2 VAL A 86 6.116 -5.283 -4.621 1.00 0.00 C ATOM 0 H VAL A 86 7.848 -3.677 -5.264 1.00 0.00 H new ATOM 0 HA VAL A 86 5.301 -2.551 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 86 6.869 -4.292 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.641 -5.183 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.739 -3.429 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.908 -4.055 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.996 -6.242 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.318 -5.156 -5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.081 -5.258 -5.128 1.00 0.00 H new ATOM 1299 N GLU A 87 7.743 -1.410 -3.006 1.00 0.00 N ATOM 1300 CA GLU A 87 8.120 -0.408 -2.017 1.00 0.00 C ATOM 1301 C GLU A 87 8.032 0.998 -2.605 1.00 0.00 C ATOM 1302 O GLU A 87 7.325 1.858 -2.081 1.00 0.00 O ATOM 1303 CB GLU A 87 9.538 -0.670 -1.506 1.00 0.00 C ATOM 1304 CG GLU A 87 9.586 -1.557 -0.273 1.00 0.00 C ATOM 1305 CD GLU A 87 9.488 -0.767 1.018 1.00 0.00 C ATOM 1306 OE1 GLU A 87 9.893 0.414 1.022 1.00 0.00 O ATOM 1307 OE2 GLU A 87 9.006 -1.329 2.023 1.00 0.00 O ATOM 0 H GLU A 87 8.529 -1.832 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 87 7.422 -0.479 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.122 -1.135 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.014 0.283 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.769 -2.278 -0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.515 -2.127 -0.276 1.00 0.00 H new ATOM 1314 N ASP A 88 8.755 1.222 -3.697 1.00 0.00 N ATOM 1315 CA ASP A 88 8.759 2.522 -4.358 1.00 0.00 C ATOM 1316 C ASP A 88 7.343 3.079 -4.470 1.00 0.00 C ATOM 1317 O ASP A 88 7.085 4.223 -4.100 1.00 0.00 O ATOM 1318 CB ASP A 88 9.387 2.409 -5.748 1.00 0.00 C ATOM 1319 CG ASP A 88 10.735 3.097 -5.831 1.00 0.00 C ATOM 1320 OD1 ASP A 88 11.683 2.627 -5.168 1.00 0.00 O ATOM 1321 OD2 ASP A 88 10.843 4.107 -6.559 1.00 0.00 O ATOM 0 H ASP A 88 9.346 0.520 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 88 9.353 3.208 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 88 9.503 1.357 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.713 2.846 -6.485 1.00 0.00 H new ATOM 1326 N ALA A 89 6.430 2.261 -4.984 1.00 0.00 N ATOM 1327 CA ALA A 89 5.041 2.672 -5.144 1.00 0.00 C ATOM 1328 C ALA A 89 4.532 3.387 -3.896 1.00 0.00 C ATOM 1329 O ALA A 89 3.759 4.341 -3.988 1.00 0.00 O ATOM 1330 CB ALA A 89 4.166 1.466 -5.457 1.00 0.00 C ATOM 0 H ALA A 89 6.628 1.310 -5.296 1.00 0.00 H new ATOM 0 HA ALA A 89 4.989 3.372 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.131 1.788 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.507 0.999 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.232 0.747 -4.641 1.00 0.00 H new ATOM 1336 N ILE A 90 4.970 2.919 -2.732 1.00 0.00 N ATOM 1337 CA ILE A 90 4.559 3.515 -1.467 1.00 0.00 C ATOM 1338 C ILE A 90 5.247 4.857 -1.242 1.00 0.00 C ATOM 1339 O ILE A 90 4.596 5.901 -1.197 1.00 0.00 O ATOM 1340 CB ILE A 90 4.872 2.585 -0.279 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.493 1.143 -0.619 1.00 0.00 C ATOM 1342 CG2 ILE A 90 4.137 3.053 0.967 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.133 1.013 -1.269 1.00 0.00 C ATOM 0 H ILE A 90 5.609 2.129 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 90 3.481 3.667 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 90 5.943 2.621 -0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.247 0.725 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.509 0.547 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.368 2.386 1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.452 4.066 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.063 3.043 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.930 -0.037 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.369 1.400 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.118 1.582 -2.199 1.00 0.00 H new ATOM 1355 N LYS A 91 6.568 4.823 -1.104 1.00 0.00 N ATOM 1356 CA LYS A 91 7.346 6.037 -0.887 1.00 0.00 C ATOM 1357 C LYS A 91 7.129 7.033 -2.022 1.00 0.00 C ATOM 1358 O LYS A 91 7.478 8.207 -1.904 1.00 0.00 O ATOM 1359 CB LYS A 91 8.834 5.699 -0.770 1.00 0.00 C ATOM 1360 CG LYS A 91 9.356 4.844 -1.912 1.00 0.00 C ATOM 1361 CD LYS A 91 10.830 5.103 -2.174 1.00 0.00 C ATOM 1362 CE LYS A 91 11.711 4.101 -1.445 1.00 0.00 C ATOM 1363 NZ LYS A 91 11.400 4.044 0.010 1.00 0.00 N ATOM 0 H LYS A 91 7.122 3.968 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 91 7.008 6.493 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.406 6.626 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.006 5.177 0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.207 3.790 -1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.783 5.053 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.025 5.049 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.085 6.113 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.576 3.112 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.758 4.371 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.144 3.511 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.354 5.010 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.484 3.572 0.151 1.00 0.00 H new ATOM 1377 N GLN A 92 6.549 6.556 -3.119 1.00 0.00 N ATOM 1378 CA GLN A 92 6.285 7.406 -4.274 1.00 0.00 C ATOM 1379 C GLN A 92 5.211 8.441 -3.954 1.00 0.00 C ATOM 1380 O GLN A 92 4.050 8.286 -4.335 1.00 0.00 O ATOM 1381 CB GLN A 92 5.851 6.557 -5.470 1.00 0.00 C ATOM 1382 CG GLN A 92 7.014 5.959 -6.245 1.00 0.00 C ATOM 1383 CD GLN A 92 7.252 6.656 -7.570 1.00 0.00 C ATOM 1384 OE1 GLN A 92 8.101 7.542 -7.675 1.00 0.00 O ATOM 1385 NE2 GLN A 92 6.501 6.260 -8.591 1.00 0.00 N ATOM 0 H GLN A 92 6.253 5.586 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 92 7.207 7.931 -4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.207 5.751 -5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.254 7.172 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.918 6.019 -5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.820 4.901 -6.425 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.809 5.522 -8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.616 6.694 -9.507 1.00 0.00 H new ATOM 1394 N THR A 93 5.605 9.497 -3.250 1.00 0.00 N ATOM 1395 CA THR A 93 4.677 10.557 -2.877 1.00 0.00 C ATOM 1396 C THR A 93 4.793 11.747 -3.822 1.00 0.00 C ATOM 1397 O THR A 93 4.966 12.885 -3.385 1.00 0.00 O ATOM 1398 CB THR A 93 4.922 11.036 -1.434 1.00 0.00 C ATOM 1399 OG1 THR A 93 6.090 11.862 -1.383 1.00 0.00 O ATOM 1400 CG2 THR A 93 5.090 9.853 -0.492 1.00 0.00 C ATOM 0 H THR A 93 6.562 9.641 -2.926 1.00 0.00 H new ATOM 0 HA THR A 93 3.673 10.137 -2.947 1.00 0.00 H new ATOM 0 HB THR A 93 4.055 11.614 -1.115 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.926 12.691 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.262 10.216 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.187 9.242 -0.510 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.941 9.252 -0.811 1.00 0.00 H new ATOM 1408 N SER A 94 4.696 11.478 -5.120 1.00 0.00 N ATOM 1409 CA SER A 94 4.793 12.528 -6.128 1.00 0.00 C ATOM 1410 C SER A 94 3.557 12.538 -7.023 1.00 0.00 C ATOM 1411 O SER A 94 3.111 13.594 -7.469 1.00 0.00 O ATOM 1412 CB SER A 94 6.050 12.333 -6.978 1.00 0.00 C ATOM 1413 OG SER A 94 6.648 13.578 -7.297 1.00 0.00 O ATOM 0 H SER A 94 4.550 10.542 -5.499 1.00 0.00 H new ATOM 0 HA SER A 94 4.856 13.487 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.764 11.710 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.794 11.803 -7.896 1.00 0.00 H new ATOM 0 HG SER A 94 7.450 13.426 -7.839 1.00 0.00 H new ATOM 1419 N GLN A 95 3.011 11.354 -7.279 1.00 0.00 N ATOM 1420 CA GLN A 95 1.827 11.226 -8.121 1.00 0.00 C ATOM 1421 C GLN A 95 0.714 10.485 -7.387 1.00 0.00 C ATOM 1422 O GLN A 95 0.916 9.972 -6.286 1.00 0.00 O ATOM 1423 CB GLN A 95 2.175 10.494 -9.419 1.00 0.00 C ATOM 1424 CG GLN A 95 2.827 9.139 -9.196 1.00 0.00 C ATOM 1425 CD GLN A 95 4.332 9.180 -9.370 1.00 0.00 C ATOM 1426 OE1 GLN A 95 4.841 9.720 -10.354 1.00 0.00 O ATOM 1427 NE2 GLN A 95 5.055 8.610 -8.414 1.00 0.00 N ATOM 0 H GLN A 95 3.369 10.470 -6.916 1.00 0.00 H new ATOM 0 HA GLN A 95 1.473 12.228 -8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.266 10.359 -10.005 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.846 11.118 -10.010 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.591 8.787 -8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.404 8.417 -9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.593 8.174 -7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.073 8.608 -8.477 1.00 0.00 H new ATOM 1436 N THR A 96 -0.462 10.431 -8.005 1.00 0.00 N ATOM 1437 CA THR A 96 -1.607 9.754 -7.410 1.00 0.00 C ATOM 1438 C THR A 96 -1.331 8.266 -7.225 1.00 0.00 C ATOM 1439 O THR A 96 -1.121 7.538 -8.196 1.00 0.00 O ATOM 1440 CB THR A 96 -2.872 9.926 -8.273 1.00 0.00 C ATOM 1441 OG1 THR A 96 -2.857 11.207 -8.913 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.127 9.791 -7.424 1.00 0.00 C ATOM 0 H THR A 96 -0.646 10.848 -8.917 1.00 0.00 H new ATOM 0 HA THR A 96 -1.775 10.214 -6.436 1.00 0.00 H new ATOM 0 HB THR A 96 -2.879 9.142 -9.031 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.663 11.308 -9.461 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.008 9.916 -8.054 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.149 8.804 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.125 10.556 -6.647 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.333 7.820 -5.974 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.083 6.417 -5.661 1.00 0.00 C ATOM 1452 C LEU A 97 -2.393 5.663 -5.458 1.00 0.00 C ATOM 1453 O LEU A 97 -3.237 6.071 -4.660 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.214 6.301 -4.408 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.430 5.050 -3.555 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.170 3.794 -4.373 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.464 5.082 -2.324 1.00 0.00 C ATOM 0 H LEU A 97 -1.505 8.409 -5.159 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.555 5.970 -6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.832 6.333 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.392 7.177 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.469 5.035 -3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.329 2.914 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.853 3.765 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.858 3.802 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.297 4.184 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.508 5.123 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.228 5.962 -1.726 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.554 4.561 -6.182 1.00 0.00 N ATOM 1470 CA GLN A 98 -3.761 3.749 -6.079 1.00 0.00 C ATOM 1471 C GLN A 98 -3.501 2.488 -5.262 1.00 0.00 C ATOM 1472 O GLN A 98 -2.431 1.885 -5.355 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.268 3.373 -7.473 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.668 3.886 -7.770 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.369 3.079 -8.845 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -5.953 1.968 -9.174 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.440 3.636 -9.399 1.00 0.00 N ATOM 0 H GLN A 98 -1.864 4.210 -6.846 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.523 4.339 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.579 3.768 -8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.259 2.288 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.262 3.860 -6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.610 4.928 -8.083 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.749 4.559 -9.095 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -7.953 3.140 -10.128 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.485 2.094 -4.462 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.363 0.904 -3.627 1.00 0.00 C ATOM 1488 C LEU A 99 -5.632 0.060 -3.693 1.00 0.00 C ATOM 1489 O LEU A 99 -6.734 0.558 -3.460 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.075 1.300 -2.178 1.00 0.00 C ATOM 1491 CG LEU A 99 -2.878 2.226 -1.961 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -3.003 2.958 -0.633 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.577 1.439 -2.017 1.00 0.00 C ATOM 0 H LEU A 99 -5.377 2.581 -4.374 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.532 0.309 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.963 1.785 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.915 0.391 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.866 2.966 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.142 3.612 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.916 3.554 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.041 2.233 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.736 2.115 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.579 0.676 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.482 0.962 -2.992 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.469 -1.220 -4.009 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.601 -2.135 -4.104 1.00 0.00 C ATOM 1507 C LEU A 100 -6.718 -2.988 -2.845 1.00 0.00 C ATOM 1508 O LEU A 100 -5.814 -3.757 -2.519 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.454 -3.035 -5.332 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.689 -3.849 -5.719 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.634 -3.015 -6.570 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.282 -5.117 -6.456 1.00 0.00 C ATOM 0 H LEU A 100 -4.564 -1.648 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.509 -1.541 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.172 -2.413 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.629 -3.725 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.213 -4.135 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.507 -3.611 -6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.952 -2.137 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.122 -2.698 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.173 -5.684 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.735 -4.852 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.646 -5.724 -5.812 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.838 -2.849 -2.144 1.00 0.00 N ATOM 1525 CA ILE A 101 -8.074 -3.609 -0.923 1.00 0.00 C ATOM 1526 C ILE A 101 -9.050 -4.755 -1.169 1.00 0.00 C ATOM 1527 O ILE A 101 -9.862 -4.703 -2.092 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.626 -2.713 0.201 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -8.072 -1.293 0.069 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -8.280 -3.297 1.563 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.578 -1.204 0.288 1.00 0.00 C ATOM 0 H ILE A 101 -8.596 -2.217 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.111 -4.014 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.711 -2.670 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.309 -0.910 -0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.576 -0.647 0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.677 -2.652 2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.718 -4.291 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.197 -3.367 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.255 -0.169 0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.336 -1.556 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.065 -1.823 -0.448 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.965 -5.787 -0.336 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.842 -6.945 -0.463 1.00 0.00 C ATOM 1545 C GLU A 102 -10.753 -7.074 0.755 1.00 0.00 C ATOM 1546 O GLU A 102 -10.373 -6.715 1.869 1.00 0.00 O ATOM 1547 CB GLU A 102 -9.016 -8.222 -0.633 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.831 -9.417 -1.099 1.00 0.00 C ATOM 1549 CD GLU A 102 -10.250 -10.320 0.045 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -10.544 -9.793 1.138 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -10.282 -11.552 -0.152 1.00 0.00 O ATOM 0 H GLU A 102 -8.298 -5.845 0.434 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.464 -6.802 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.218 -8.035 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.540 -8.466 0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.720 -9.064 -1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.246 -9.993 -1.816 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.958 -7.589 0.533 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.925 -7.766 1.611 1.00 0.00 C ATOM 1560 C HIS A 103 -13.517 -9.172 1.585 1.00 0.00 C ATOM 1561 O HIS A 103 -14.294 -9.512 0.693 1.00 0.00 O ATOM 1562 CB HIS A 103 -14.041 -6.728 1.499 1.00 0.00 C ATOM 1563 CG HIS A 103 -14.822 -6.549 2.764 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -16.016 -5.862 2.821 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -14.574 -6.973 4.025 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -16.468 -5.870 4.062 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -15.611 -6.539 4.813 1.00 0.00 N ATOM 0 H HIS A 103 -12.288 -7.891 -0.384 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.404 -7.628 2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -13.608 -5.770 1.211 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.722 -7.023 0.700 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.719 -7.546 4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -17.382 -5.408 4.405 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -15.705 -6.706 5.815 1.00 0.00 H new