USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 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 17 THR OG1 : rot -118:sc= -0.665 USER MOD Set 1.2: A 103 HIS : no HE2:sc= -1.06 K(o=-1.7,f=-4.4!) USER MOD Set 2.1: A 52 ASN : amide:sc= -3.13 K(o=-7.5,f=-9.8!) USER MOD Set 2.2: A 55 HIS : no HD1:sc= -4.35 K(o=-7.5,f=-8.7!) USER MOD Single : A 15 SER OG : rot 41:sc= 0.127 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -147:sc= -1 (180deg=-3.65!) 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 22:sc= 1.07 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0431 X(o=-0.043,f=-0.46) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.136 USER MOD Single : A 59 ASN : amide:sc= -4.22! C(o=-4.2!,f=-5.8!) USER MOD Single : A 60 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 62 ASN : amide:sc= -1.14! C(o=-1.1!,f=-6.6!) USER MOD Single : A 65 HIS : no HE2:sc= -0.0842 K(o=-0.084,f=-0.93) USER MOD Single : A 74 ASN : amide:sc= -6.8! C(o=-6.8!,f=-4.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.028 USER MOD Single : A 80 THR OG1 : rot -48:sc= 0.15 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0675 X(o=-0.067,f=-0.52) USER MOD Single : A 93 THR OG1 : rot 60:sc= 0.322 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 98 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 15 -15.761 -8.740 -0.933 1.00 0.00 N ATOM 183 CA SER A 15 -15.798 -7.406 -1.521 1.00 0.00 C ATOM 184 C SER A 15 -14.423 -6.746 -1.456 1.00 0.00 C ATOM 185 O SER A 15 -13.672 -6.943 -0.501 1.00 0.00 O ATOM 186 CB SER A 15 -16.828 -6.535 -0.800 1.00 0.00 C ATOM 187 OG SER A 15 -18.097 -7.166 -0.768 1.00 0.00 O ATOM 0 HA SER A 15 -16.086 -7.505 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.492 -6.336 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.910 -5.572 -1.303 1.00 0.00 H new ATOM 0 HG SER A 15 -17.982 -8.122 -0.588 1.00 0.00 H new ATOM 193 N VAL A 16 -14.102 -5.961 -2.480 1.00 0.00 N ATOM 194 CA VAL A 16 -12.819 -5.271 -2.540 1.00 0.00 C ATOM 195 C VAL A 16 -12.986 -3.777 -2.282 1.00 0.00 C ATOM 196 O VAL A 16 -14.099 -3.251 -2.312 1.00 0.00 O ATOM 197 CB VAL A 16 -12.137 -5.471 -3.906 1.00 0.00 C ATOM 198 CG1 VAL A 16 -11.376 -6.788 -3.936 1.00 0.00 C ATOM 199 CG2 VAL A 16 -13.164 -5.414 -5.027 1.00 0.00 C ATOM 0 H VAL A 16 -14.712 -5.787 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.190 -5.704 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.422 -4.662 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.901 -6.912 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.613 -6.785 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.068 -7.612 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.665 -5.557 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.904 -6.201 -4.882 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.660 -4.443 -5.017 1.00 0.00 H new ATOM 209 N THR A 17 -11.872 -3.098 -2.027 1.00 0.00 N ATOM 210 CA THR A 17 -11.894 -1.665 -1.763 1.00 0.00 C ATOM 211 C THR A 17 -10.833 -0.938 -2.581 1.00 0.00 C ATOM 212 O THR A 17 -9.644 -1.249 -2.491 1.00 0.00 O ATOM 213 CB THR A 17 -11.668 -1.366 -0.269 1.00 0.00 C ATOM 214 OG1 THR A 17 -12.147 -2.456 0.527 1.00 0.00 O ATOM 215 CG2 THR A 17 -12.377 -0.083 0.140 1.00 0.00 C ATOM 0 H THR A 17 -10.943 -3.518 -1.998 1.00 0.00 H new ATOM 0 HA THR A 17 -12.881 -1.306 -2.053 1.00 0.00 H new ATOM 0 HB THR A 17 -10.598 -1.239 -0.105 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.868 -2.142 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.203 0.107 1.199 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.989 0.750 -0.447 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.447 -0.186 -0.039 1.00 0.00 H new ATOM 223 N LEU A 18 -11.268 0.031 -3.378 1.00 0.00 N ATOM 224 CA LEU A 18 -10.355 0.803 -4.213 1.00 0.00 C ATOM 225 C LEU A 18 -10.249 2.242 -3.718 1.00 0.00 C ATOM 226 O LEU A 18 -11.226 2.816 -3.236 1.00 0.00 O ATOM 227 CB LEU A 18 -10.824 0.786 -5.669 1.00 0.00 C ATOM 228 CG LEU A 18 -9.763 1.113 -6.720 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.771 -0.032 -6.852 1.00 0.00 C ATOM 230 CD2 LEU A 18 -10.416 1.413 -8.062 1.00 0.00 C ATOM 0 H LEU A 18 -12.248 0.301 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.369 0.343 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.230 -0.202 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.643 1.498 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.220 2.001 -6.396 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.024 0.219 -7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.279 -0.200 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.298 -0.937 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.646 1.644 -8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.985 0.544 -8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.086 2.267 -7.958 1.00 0.00 H new ATOM 242 N ILE A 19 -9.059 2.819 -3.842 1.00 0.00 N ATOM 243 CA ILE A 19 -8.828 4.192 -3.411 1.00 0.00 C ATOM 244 C ILE A 19 -7.908 4.926 -4.380 1.00 0.00 C ATOM 245 O ILE A 19 -6.891 4.386 -4.816 1.00 0.00 O ATOM 246 CB ILE A 19 -8.213 4.243 -1.999 1.00 0.00 C ATOM 247 CG1 ILE A 19 -7.324 3.020 -1.763 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.308 4.319 -0.947 1.00 0.00 C ATOM 249 CD1 ILE A 19 -7.983 1.946 -0.926 1.00 0.00 C ATOM 0 H ILE A 19 -8.240 2.357 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.800 4.684 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.597 5.138 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.041 2.596 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.404 3.339 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.858 4.354 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.905 5.217 -1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.948 3.440 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.295 1.110 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -8.242 2.354 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.888 1.599 -1.426 1.00 0.00 H new ATOM 261 N SER A 20 -8.271 6.160 -4.713 1.00 0.00 N ATOM 262 CA SER A 20 -7.479 6.968 -5.633 1.00 0.00 C ATOM 263 C SER A 20 -7.201 8.348 -5.043 1.00 0.00 C ATOM 264 O SER A 20 -8.074 9.215 -5.027 1.00 0.00 O ATOM 265 CB SER A 20 -8.203 7.111 -6.973 1.00 0.00 C ATOM 266 OG SER A 20 -9.271 6.185 -7.077 1.00 0.00 O ATOM 0 H SER A 20 -9.109 6.622 -4.360 1.00 0.00 H new ATOM 0 HA SER A 20 -6.527 6.462 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.586 8.126 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.499 6.952 -7.789 1.00 0.00 H new ATOM 0 HG SER A 20 -9.719 6.298 -7.941 1.00 0.00 H new ATOM 272 N MET A 21 -5.978 8.542 -4.560 1.00 0.00 N ATOM 273 CA MET A 21 -5.583 9.816 -3.971 1.00 0.00 C ATOM 274 C MET A 21 -4.279 10.317 -4.582 1.00 0.00 C ATOM 275 O MET A 21 -3.380 9.542 -4.908 1.00 0.00 O ATOM 276 CB MET A 21 -5.428 9.674 -2.455 1.00 0.00 C ATOM 277 CG MET A 21 -5.958 8.358 -1.910 1.00 0.00 C ATOM 278 SD MET A 21 -4.781 7.005 -2.098 1.00 0.00 S ATOM 279 CE MET A 21 -4.998 6.149 -0.539 1.00 0.00 C ATOM 0 H MET A 21 -5.244 7.834 -4.565 1.00 0.00 H new ATOM 0 HA MET A 21 -6.366 10.544 -4.183 1.00 0.00 H new ATOM 0 HB2 MET A 21 -4.373 9.767 -2.196 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.950 10.497 -1.966 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.202 8.478 -0.855 1.00 0.00 H new ATOM 0 HG3 MET A 21 -6.884 8.103 -2.424 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.049 5.712 -0.228 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.338 6.854 0.219 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.739 5.359 -0.658 1.00 0.00 H new ATOM 289 N PRO A 22 -4.171 11.644 -4.743 1.00 0.00 N ATOM 290 CA PRO A 22 -2.980 12.278 -5.316 1.00 0.00 C ATOM 291 C PRO A 22 -1.774 12.194 -4.386 1.00 0.00 C ATOM 292 O PRO A 22 -1.896 11.784 -3.232 1.00 0.00 O ATOM 293 CB PRO A 22 -3.409 13.736 -5.504 1.00 0.00 C ATOM 294 CG PRO A 22 -4.487 13.946 -4.497 1.00 0.00 C ATOM 295 CD PRO A 22 -5.203 12.629 -4.376 1.00 0.00 C ATOM 0 HA PRO A 22 -2.663 11.790 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.575 14.418 -5.340 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.772 13.915 -6.516 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.070 14.253 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.170 14.734 -4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.574 12.465 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.064 12.577 -5.043 1.00 0.00 H new ATOM 303 N ALA A 23 -0.611 12.584 -4.897 1.00 0.00 N ATOM 304 CA ALA A 23 0.617 12.555 -4.111 1.00 0.00 C ATOM 305 C ALA A 23 0.866 13.898 -3.432 1.00 0.00 C ATOM 306 O ALA A 23 0.083 14.836 -3.581 1.00 0.00 O ATOM 307 CB ALA A 23 1.799 12.180 -4.993 1.00 0.00 C ATOM 0 H ALA A 23 -0.493 12.924 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 23 0.504 11.800 -3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.709 12.162 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.631 11.194 -5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.905 12.915 -5.791 1.00 0.00 H new ATOM 391 N ARG A 29 5.317 9.098 2.580 1.00 0.00 N ATOM 392 CA ARG A 29 3.882 8.866 2.466 1.00 0.00 C ATOM 393 C ARG A 29 3.203 8.971 3.828 1.00 0.00 C ATOM 394 O ARG A 29 3.767 9.523 4.773 1.00 0.00 O ATOM 395 CB ARG A 29 3.614 7.488 1.856 1.00 0.00 C ATOM 396 CG ARG A 29 3.957 6.334 2.785 1.00 0.00 C ATOM 397 CD ARG A 29 5.451 6.052 2.794 1.00 0.00 C ATOM 398 NE ARG A 29 5.744 4.671 3.170 1.00 0.00 N ATOM 399 CZ ARG A 29 6.945 4.254 3.555 1.00 0.00 C ATOM 400 NH1 ARG A 29 7.959 5.106 3.616 1.00 0.00 N ATOM 401 NH2 ARG A 29 7.133 2.982 3.881 1.00 0.00 N ATOM 0 HA ARG A 29 3.467 9.633 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.562 7.421 1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.192 7.388 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.624 6.568 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.419 5.440 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.864 6.254 1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.944 6.730 3.491 1.00 0.00 H new ATOM 0 HE ARG A 29 4.985 3.990 3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.818 6.085 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.880 4.782 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.355 2.324 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.055 2.662 4.177 1.00 0.00 H new ATOM 415 N GLY A 30 1.989 8.439 3.922 1.00 0.00 N ATOM 416 CA GLY A 30 1.253 8.485 5.172 1.00 0.00 C ATOM 417 C GLY A 30 0.944 7.103 5.714 1.00 0.00 C ATOM 418 O GLY A 30 0.488 6.961 6.849 1.00 0.00 O ATOM 0 H GLY A 30 1.501 7.977 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.831 9.041 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.321 9.030 5.021 1.00 0.00 H new ATOM 422 N PHE A 31 1.190 6.082 4.900 1.00 0.00 N ATOM 423 CA PHE A 31 0.933 4.704 5.303 1.00 0.00 C ATOM 424 C PHE A 31 1.979 3.761 4.715 1.00 0.00 C ATOM 425 O PHE A 31 2.257 3.795 3.517 1.00 0.00 O ATOM 426 CB PHE A 31 -0.466 4.273 4.858 1.00 0.00 C ATOM 427 CG PHE A 31 -0.538 3.870 3.413 1.00 0.00 C ATOM 428 CD1 PHE A 31 -0.100 2.619 3.007 1.00 0.00 C ATOM 429 CD2 PHE A 31 -1.044 4.740 2.461 1.00 0.00 C ATOM 430 CE1 PHE A 31 -0.164 2.246 1.678 1.00 0.00 C ATOM 431 CE2 PHE A 31 -1.111 4.372 1.130 1.00 0.00 C ATOM 432 CZ PHE A 31 -0.672 3.123 0.739 1.00 0.00 C ATOM 0 H PHE A 31 1.567 6.183 3.958 1.00 0.00 H new ATOM 0 HA PHE A 31 0.993 4.652 6.390 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.794 3.438 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.163 5.093 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.295 1.929 3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.390 5.718 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.183 1.270 1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.506 5.060 0.398 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.726 2.832 -0.300 1.00 0.00 H new ATOM 442 N SER A 32 2.554 2.920 5.568 1.00 0.00 N ATOM 443 CA SER A 32 3.573 1.970 5.135 1.00 0.00 C ATOM 444 C SER A 32 2.956 0.603 4.854 1.00 0.00 C ATOM 445 O SER A 32 1.814 0.336 5.228 1.00 0.00 O ATOM 446 CB SER A 32 4.665 1.841 6.199 1.00 0.00 C ATOM 447 OG SER A 32 4.826 3.053 6.914 1.00 0.00 O ATOM 0 H SER A 32 2.332 2.877 6.563 1.00 0.00 H new ATOM 0 HA SER A 32 4.017 2.345 4.213 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.410 1.038 6.891 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.608 1.566 5.726 1.00 0.00 H new ATOM 0 HG SER A 32 5.528 2.944 7.589 1.00 0.00 H new ATOM 453 N VAL A 33 3.721 -0.260 4.193 1.00 0.00 N ATOM 454 CA VAL A 33 3.252 -1.600 3.862 1.00 0.00 C ATOM 455 C VAL A 33 4.385 -2.617 3.953 1.00 0.00 C ATOM 456 O VAL A 33 5.554 -2.279 3.767 1.00 0.00 O ATOM 457 CB VAL A 33 2.645 -1.649 2.448 1.00 0.00 C ATOM 458 CG1 VAL A 33 1.858 -0.380 2.160 1.00 0.00 C ATOM 459 CG2 VAL A 33 3.736 -1.857 1.407 1.00 0.00 C ATOM 0 H VAL A 33 4.669 -0.055 3.876 1.00 0.00 H new ATOM 0 HA VAL A 33 2.481 -1.854 4.589 1.00 0.00 H new ATOM 0 HB VAL A 33 1.958 -2.494 2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.437 -0.433 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.052 -0.279 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.520 0.483 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.289 -1.889 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.449 -1.034 1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.252 -2.797 1.603 1.00 0.00 H new ATOM 469 N THR A 34 4.030 -3.865 4.240 1.00 0.00 N ATOM 470 CA THR A 34 5.017 -4.932 4.356 1.00 0.00 C ATOM 471 C THR A 34 5.106 -5.741 3.066 1.00 0.00 C ATOM 472 O THR A 34 4.104 -5.952 2.383 1.00 0.00 O ATOM 473 CB THR A 34 4.682 -5.882 5.521 1.00 0.00 C ATOM 474 OG1 THR A 34 4.629 -5.149 6.750 1.00 0.00 O ATOM 475 CG2 THR A 34 5.718 -6.991 5.630 1.00 0.00 C ATOM 0 H THR A 34 3.067 -4.162 4.396 1.00 0.00 H new ATOM 0 HA THR A 34 5.978 -4.455 4.550 1.00 0.00 H new ATOM 0 HB THR A 34 3.709 -6.333 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.414 -5.759 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.460 -7.649 6.460 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.736 -7.565 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.701 -6.554 5.805 1.00 0.00 H new ATOM 483 N VAL A 35 6.313 -6.191 2.739 1.00 0.00 N ATOM 484 CA VAL A 35 6.533 -6.979 1.531 1.00 0.00 C ATOM 485 C VAL A 35 6.950 -8.404 1.874 1.00 0.00 C ATOM 486 O VAL A 35 7.828 -8.621 2.709 1.00 0.00 O ATOM 487 CB VAL A 35 7.611 -6.342 0.635 1.00 0.00 C ATOM 488 CG1 VAL A 35 8.159 -7.363 -0.351 1.00 0.00 C ATOM 489 CG2 VAL A 35 7.049 -5.132 -0.096 1.00 0.00 C ATOM 0 H VAL A 35 7.153 -6.024 3.293 1.00 0.00 H new ATOM 0 HA VAL A 35 5.587 -7.000 0.990 1.00 0.00 H new ATOM 0 HB VAL A 35 8.433 -6.007 1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.919 -6.894 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.601 -8.196 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.349 -7.732 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.824 -4.694 -0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.209 -5.441 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.711 -4.393 0.630 1.00 0.00 H new ATOM 499 N GLU A 36 6.315 -9.374 1.222 1.00 0.00 N ATOM 500 CA GLU A 36 6.620 -10.780 1.459 1.00 0.00 C ATOM 501 C GLU A 36 6.797 -11.527 0.140 1.00 0.00 C ATOM 502 O GLU A 36 5.871 -11.610 -0.668 1.00 0.00 O ATOM 503 CB GLU A 36 5.510 -11.434 2.284 1.00 0.00 C ATOM 504 CG GLU A 36 5.864 -11.609 3.751 1.00 0.00 C ATOM 505 CD GLU A 36 6.375 -13.002 4.065 1.00 0.00 C ATOM 506 OE1 GLU A 36 7.578 -13.256 3.850 1.00 0.00 O ATOM 507 OE2 GLU A 36 5.569 -13.838 4.527 1.00 0.00 O ATOM 0 H GLU A 36 5.587 -9.212 0.526 1.00 0.00 H new ATOM 0 HA GLU A 36 7.555 -10.834 2.016 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.607 -10.829 2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.278 -12.409 1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.622 -10.877 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.984 -11.403 4.360 1.00 0.00 H new ATOM 514 N SER A 37 7.992 -12.069 -0.071 1.00 0.00 N ATOM 515 CA SER A 37 8.293 -12.806 -1.292 1.00 0.00 C ATOM 516 C SER A 37 8.363 -14.305 -1.019 1.00 0.00 C ATOM 517 O SER A 37 8.318 -14.741 0.131 1.00 0.00 O ATOM 518 CB SER A 37 9.615 -12.323 -1.892 1.00 0.00 C ATOM 519 OG SER A 37 10.400 -13.414 -2.340 1.00 0.00 O ATOM 0 H SER A 37 8.768 -12.011 0.589 1.00 0.00 H new ATOM 0 HA SER A 37 7.490 -12.622 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.415 -11.648 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.170 -11.753 -1.146 1.00 0.00 H new ATOM 0 HG SER A 37 11.239 -13.079 -2.721 1.00 0.00 H new ATOM 571 N TYR A 42 10.644 -11.794 -5.374 1.00 0.00 N ATOM 572 CA TYR A 42 9.490 -11.354 -6.148 1.00 0.00 C ATOM 573 C TYR A 42 8.253 -11.234 -5.263 1.00 0.00 C ATOM 574 O TYR A 42 7.568 -12.221 -4.997 1.00 0.00 O ATOM 575 CB TYR A 42 9.217 -12.329 -7.295 1.00 0.00 C ATOM 576 CG TYR A 42 9.465 -11.737 -8.665 1.00 0.00 C ATOM 577 CD1 TYR A 42 10.757 -11.499 -9.117 1.00 0.00 C ATOM 578 CD2 TYR A 42 8.407 -11.416 -9.506 1.00 0.00 C ATOM 579 CE1 TYR A 42 10.988 -10.959 -10.367 1.00 0.00 C ATOM 580 CE2 TYR A 42 8.629 -10.876 -10.758 1.00 0.00 C ATOM 581 CZ TYR A 42 9.921 -10.649 -11.184 1.00 0.00 C ATOM 582 OH TYR A 42 10.146 -10.110 -12.430 1.00 0.00 O ATOM 0 HA TYR A 42 9.716 -10.371 -6.561 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.847 -13.210 -7.170 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.182 -12.666 -7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 42 11.595 -11.740 -8.480 1.00 0.00 H new ATOM 0 HD2 TYR A 42 7.394 -11.592 -9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 42 11.999 -10.780 -10.703 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.795 -10.633 -11.400 1.00 0.00 H new ATOM 0 HH TYR A 42 9.289 -9.951 -12.877 1.00 0.00 H new ATOM 592 N ALA A 43 7.974 -10.016 -4.810 1.00 0.00 N ATOM 593 CA ALA A 43 6.819 -9.765 -3.957 1.00 0.00 C ATOM 594 C ALA A 43 5.647 -10.662 -4.341 1.00 0.00 C ATOM 595 O ALA A 43 5.398 -10.905 -5.522 1.00 0.00 O ATOM 596 CB ALA A 43 6.413 -8.301 -4.036 1.00 0.00 C ATOM 0 H ALA A 43 8.532 -9.188 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 43 7.100 -9.998 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.549 -8.128 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.242 -7.675 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.156 -8.050 -5.065 1.00 0.00 H new ATOM 602 N THR A 44 4.929 -11.153 -3.335 1.00 0.00 N ATOM 603 CA THR A 44 3.785 -12.025 -3.567 1.00 0.00 C ATOM 604 C THR A 44 2.597 -11.614 -2.706 1.00 0.00 C ATOM 605 O THR A 44 1.448 -11.669 -3.146 1.00 0.00 O ATOM 606 CB THR A 44 4.132 -13.497 -3.274 1.00 0.00 C ATOM 607 OG1 THR A 44 4.952 -13.584 -2.103 1.00 0.00 O ATOM 608 CG2 THR A 44 4.856 -14.128 -4.454 1.00 0.00 C ATOM 0 H THR A 44 5.120 -10.961 -2.352 1.00 0.00 H new ATOM 0 HA THR A 44 3.519 -11.924 -4.619 1.00 0.00 H new ATOM 0 HB THR A 44 3.202 -14.040 -3.107 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.826 -12.781 -1.555 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.091 -15.167 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.218 -14.087 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.779 -13.582 -4.649 1.00 0.00 H new ATOM 616 N THR A 45 2.879 -11.199 -1.475 1.00 0.00 N ATOM 617 CA THR A 45 1.833 -10.778 -0.551 1.00 0.00 C ATOM 618 C THR A 45 2.180 -9.445 0.102 1.00 0.00 C ATOM 619 O THR A 45 3.337 -9.187 0.434 1.00 0.00 O ATOM 620 CB THR A 45 1.599 -11.830 0.550 1.00 0.00 C ATOM 621 OG1 THR A 45 1.223 -13.080 -0.039 1.00 0.00 O ATOM 622 CG2 THR A 45 0.517 -11.372 1.515 1.00 0.00 C ATOM 0 H THR A 45 3.824 -11.145 -1.095 1.00 0.00 H new ATOM 0 HA THR A 45 0.921 -10.666 -1.137 1.00 0.00 H new ATOM 0 HB THR A 45 2.529 -11.956 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.078 -13.744 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.370 -12.131 2.283 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.820 -10.436 1.983 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.415 -11.221 0.971 1.00 0.00 H new ATOM 630 N VAL A 46 1.170 -8.600 0.284 1.00 0.00 N ATOM 631 CA VAL A 46 1.367 -7.293 0.899 1.00 0.00 C ATOM 632 C VAL A 46 0.396 -7.076 2.053 1.00 0.00 C ATOM 633 O VAL A 46 -0.806 -7.302 1.915 1.00 0.00 O ATOM 634 CB VAL A 46 1.191 -6.158 -0.127 1.00 0.00 C ATOM 635 CG1 VAL A 46 1.353 -4.802 0.544 1.00 0.00 C ATOM 636 CG2 VAL A 46 2.179 -6.317 -1.272 1.00 0.00 C ATOM 0 H VAL A 46 0.206 -8.798 0.014 1.00 0.00 H new ATOM 0 HA VAL A 46 2.388 -7.273 1.280 1.00 0.00 H new ATOM 0 HB VAL A 46 0.183 -6.216 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.225 -4.012 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.602 -4.691 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.348 -4.730 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.040 -5.506 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.196 -6.286 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.010 -7.272 -1.769 1.00 0.00 H new ATOM 646 N GLN A 47 0.925 -6.637 3.190 1.00 0.00 N ATOM 647 CA GLN A 47 0.103 -6.389 4.369 1.00 0.00 C ATOM 648 C GLN A 47 0.313 -4.972 4.891 1.00 0.00 C ATOM 649 O GLN A 47 1.434 -4.576 5.211 1.00 0.00 O ATOM 650 CB GLN A 47 0.430 -7.403 5.467 1.00 0.00 C ATOM 651 CG GLN A 47 -0.489 -8.614 5.470 1.00 0.00 C ATOM 652 CD GLN A 47 0.149 -9.829 6.117 1.00 0.00 C ATOM 653 OE1 GLN A 47 1.307 -10.151 5.852 1.00 0.00 O ATOM 654 NE2 GLN A 47 -0.607 -10.510 6.970 1.00 0.00 N ATOM 0 H GLN A 47 1.918 -6.446 3.320 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.943 -6.499 4.081 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.460 -7.739 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.369 -6.909 6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.409 -8.366 5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.767 -8.857 4.444 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.562 -10.206 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.233 -11.337 7.436 1.00 0.00 H new ATOM 663 N VAL A 48 -0.774 -4.210 4.974 1.00 0.00 N ATOM 664 CA VAL A 48 -0.709 -2.836 5.458 1.00 0.00 C ATOM 665 C VAL A 48 -0.293 -2.789 6.924 1.00 0.00 C ATOM 666 O VAL A 48 -1.104 -3.027 7.819 1.00 0.00 O ATOM 667 CB VAL A 48 -2.064 -2.120 5.296 1.00 0.00 C ATOM 668 CG1 VAL A 48 -1.946 -0.658 5.699 1.00 0.00 C ATOM 669 CG2 VAL A 48 -2.567 -2.249 3.867 1.00 0.00 C ATOM 0 H VAL A 48 -1.709 -4.521 4.712 1.00 0.00 H new ATOM 0 HA VAL A 48 0.040 -2.322 4.855 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.789 -2.597 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.912 -0.168 5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.633 -0.592 6.741 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.208 -0.165 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.525 -1.738 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.845 -1.799 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.692 -3.303 3.619 1.00 0.00 H new ATOM 679 N LYS A 49 0.977 -2.479 7.163 1.00 0.00 N ATOM 680 CA LYS A 49 1.503 -2.398 8.520 1.00 0.00 C ATOM 681 C LYS A 49 0.686 -1.423 9.363 1.00 0.00 C ATOM 682 O LYS A 49 -0.039 -1.830 10.270 1.00 0.00 O ATOM 683 CB LYS A 49 2.970 -1.963 8.496 1.00 0.00 C ATOM 684 CG LYS A 49 3.689 -2.176 9.816 1.00 0.00 C ATOM 685 CD LYS A 49 5.115 -1.654 9.765 1.00 0.00 C ATOM 686 CE LYS A 49 5.196 -0.207 10.227 1.00 0.00 C ATOM 687 NZ LYS A 49 5.760 -0.095 11.601 1.00 0.00 N ATOM 0 H LYS A 49 1.661 -2.280 6.433 1.00 0.00 H new ATOM 0 HA LYS A 49 1.432 -3.388 8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.491 -2.516 7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.023 -0.907 8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.144 -1.671 10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.698 -3.239 10.059 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.753 -2.274 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.497 -1.734 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.815 0.362 9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.201 0.238 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.799 0.906 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.156 -0.617 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.719 -0.496 11.616 1.00 0.00 H new ATOM 701 N GLU A 50 0.809 -0.136 9.055 1.00 0.00 N ATOM 702 CA GLU A 50 0.081 0.896 9.784 1.00 0.00 C ATOM 703 C GLU A 50 -0.442 1.969 8.833 1.00 0.00 C ATOM 704 O GLU A 50 0.079 2.145 7.731 1.00 0.00 O ATOM 705 CB GLU A 50 0.981 1.534 10.844 1.00 0.00 C ATOM 706 CG GLU A 50 1.267 0.624 12.028 1.00 0.00 C ATOM 707 CD GLU A 50 0.952 1.281 13.358 1.00 0.00 C ATOM 708 OE1 GLU A 50 1.216 2.493 13.497 1.00 0.00 O ATOM 709 OE2 GLU A 50 0.441 0.583 14.258 1.00 0.00 O ATOM 0 H GLU A 50 1.405 0.217 8.306 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.770 0.425 10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.925 1.822 10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.511 2.449 11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.680 -0.289 11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.317 0.331 12.011 1.00 0.00 H new ATOM 716 N VAL A 51 -1.475 2.684 9.267 1.00 0.00 N ATOM 717 CA VAL A 51 -2.069 3.740 8.456 1.00 0.00 C ATOM 718 C VAL A 51 -2.391 4.967 9.301 1.00 0.00 C ATOM 719 O VAL A 51 -3.025 4.861 10.350 1.00 0.00 O ATOM 720 CB VAL A 51 -3.356 3.256 7.760 1.00 0.00 C ATOM 721 CG1 VAL A 51 -3.818 4.273 6.728 1.00 0.00 C ATOM 722 CG2 VAL A 51 -3.135 1.895 7.119 1.00 0.00 C ATOM 0 H VAL A 51 -1.918 2.551 10.176 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.334 4.009 7.698 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.139 3.154 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.728 3.915 6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.018 5.225 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.039 4.409 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.054 1.569 6.632 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.338 1.966 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.854 1.173 7.886 1.00 0.00 H new ATOM 732 N ASN A 52 -1.950 6.131 8.836 1.00 0.00 N ATOM 733 CA ASN A 52 -2.192 7.380 9.550 1.00 0.00 C ATOM 734 C ASN A 52 -3.500 8.021 9.098 1.00 0.00 C ATOM 735 O ASN A 52 -3.698 8.280 7.910 1.00 0.00 O ATOM 736 CB ASN A 52 -1.031 8.351 9.327 1.00 0.00 C ATOM 737 CG ASN A 52 -0.536 8.968 10.621 1.00 0.00 C ATOM 738 OD1 ASN A 52 -0.877 10.104 10.951 1.00 0.00 O ATOM 739 ND2 ASN A 52 0.273 8.219 11.362 1.00 0.00 N ATOM 0 H ASN A 52 -1.424 6.236 7.969 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.269 7.153 10.613 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.209 7.825 8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.348 9.143 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.638 8.580 12.243 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.529 7.283 11.050 1.00 0.00 H new ATOM 746 N ARG A 53 -4.390 8.274 10.052 1.00 0.00 N ATOM 747 CA ARG A 53 -5.679 8.884 9.752 1.00 0.00 C ATOM 748 C ARG A 53 -5.565 10.405 9.711 1.00 0.00 C ATOM 749 O ARG A 53 -6.513 11.098 9.343 1.00 0.00 O ATOM 750 CB ARG A 53 -6.719 8.468 10.794 1.00 0.00 C ATOM 751 CG ARG A 53 -7.305 7.086 10.552 1.00 0.00 C ATOM 752 CD ARG A 53 -6.718 6.058 11.507 1.00 0.00 C ATOM 753 NE ARG A 53 -7.385 4.764 11.395 1.00 0.00 N ATOM 754 CZ ARG A 53 -7.205 3.767 12.254 1.00 0.00 C ATOM 755 NH1 ARG A 53 -6.382 3.915 13.283 1.00 0.00 N ATOM 756 NH2 ARG A 53 -7.848 2.619 12.084 1.00 0.00 N ATOM 0 H ARG A 53 -4.242 8.066 11.039 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.998 8.534 8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.260 8.491 11.782 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.527 9.200 10.801 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.388 7.122 10.674 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.110 6.782 9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.655 5.937 11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.804 6.423 12.530 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.025 4.618 10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.885 4.796 13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.245 3.148 13.941 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.481 2.501 11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.709 1.854 12.744 1.00 0.00 H new ATOM 770 N MET A 54 -4.399 10.916 10.091 1.00 0.00 N ATOM 771 CA MET A 54 -4.161 12.355 10.097 1.00 0.00 C ATOM 772 C MET A 54 -3.454 12.794 8.818 1.00 0.00 C ATOM 773 O MET A 54 -3.354 13.987 8.531 1.00 0.00 O ATOM 774 CB MET A 54 -3.326 12.750 11.316 1.00 0.00 C ATOM 775 CG MET A 54 -3.865 12.198 12.626 1.00 0.00 C ATOM 776 SD MET A 54 -5.325 13.084 13.205 1.00 0.00 S ATOM 777 CE MET A 54 -4.569 14.384 14.178 1.00 0.00 C ATOM 0 H MET A 54 -3.604 10.356 10.399 1.00 0.00 H new ATOM 0 HA MET A 54 -5.127 12.858 10.149 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.304 12.398 11.176 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.283 13.837 11.380 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.112 11.144 12.498 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.086 12.253 13.387 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.346 15.018 14.604 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.981 13.942 14.982 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.919 14.984 13.541 1.00 0.00 H new ATOM 787 N HIS A 55 -2.964 11.822 8.054 1.00 0.00 N ATOM 788 CA HIS A 55 -2.267 12.109 6.806 1.00 0.00 C ATOM 789 C HIS A 55 -3.115 11.704 5.604 1.00 0.00 C ATOM 790 O HIS A 55 -2.609 11.584 4.487 1.00 0.00 O ATOM 791 CB HIS A 55 -0.924 11.378 6.767 1.00 0.00 C ATOM 792 CG HIS A 55 -0.082 11.608 7.984 1.00 0.00 C ATOM 793 ND1 HIS A 55 0.696 10.625 8.558 1.00 0.00 N ATOM 794 CD2 HIS A 55 0.102 12.718 8.737 1.00 0.00 C ATOM 795 CE1 HIS A 55 1.321 11.119 9.611 1.00 0.00 C ATOM 796 NE2 HIS A 55 0.978 12.388 9.741 1.00 0.00 N ATOM 0 H HIS A 55 -3.037 10.830 8.278 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.089 13.183 6.757 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.105 10.309 6.657 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.370 11.700 5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.355 13.683 8.577 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.997 10.578 10.256 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.310 13.020 10.469 1.00 0.00 H new ATOM 805 N ILE A 56 -4.405 11.493 5.840 1.00 0.00 N ATOM 806 CA ILE A 56 -5.322 11.101 4.777 1.00 0.00 C ATOM 807 C ILE A 56 -6.657 11.827 4.907 1.00 0.00 C ATOM 808 O ILE A 56 -7.402 11.611 5.863 1.00 0.00 O ATOM 809 CB ILE A 56 -5.574 9.581 4.783 1.00 0.00 C ATOM 810 CG1 ILE A 56 -4.248 8.822 4.858 1.00 0.00 C ATOM 811 CG2 ILE A 56 -6.357 9.170 3.545 1.00 0.00 C ATOM 812 CD1 ILE A 56 -4.412 7.319 4.871 1.00 0.00 C ATOM 0 H ILE A 56 -4.839 11.587 6.758 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.850 11.379 3.835 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.165 9.329 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.628 9.104 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.713 9.129 5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.527 8.094 3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.315 9.689 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.790 9.433 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.431 6.846 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.005 7.025 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.918 7.000 3.960 1.00 0.00 H new ATOM 824 N SER A 57 -6.952 12.688 3.938 1.00 0.00 N ATOM 825 CA SER A 57 -8.197 13.448 3.945 1.00 0.00 C ATOM 826 C SER A 57 -9.378 12.553 4.305 1.00 0.00 C ATOM 827 O SER A 57 -9.364 11.342 4.081 1.00 0.00 O ATOM 828 CB SER A 57 -8.431 14.095 2.579 1.00 0.00 C ATOM 829 OG SER A 57 -7.214 14.236 1.866 1.00 0.00 O ATOM 0 H SER A 57 -6.347 12.877 3.139 1.00 0.00 H new ATOM 0 HA SER A 57 -8.113 14.229 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.127 13.488 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.894 15.073 2.711 1.00 0.00 H new ATOM 0 HG SER A 57 -7.391 14.650 0.996 1.00 0.00 H new ATOM 835 N PRO A 58 -10.427 13.161 4.879 1.00 0.00 N ATOM 836 CA PRO A 58 -11.638 12.439 5.283 1.00 0.00 C ATOM 837 C PRO A 58 -12.449 11.953 4.087 1.00 0.00 C ATOM 838 O PRO A 58 -13.567 12.411 3.855 1.00 0.00 O ATOM 839 CB PRO A 58 -12.427 13.485 6.074 1.00 0.00 C ATOM 840 CG PRO A 58 -11.958 14.796 5.543 1.00 0.00 C ATOM 841 CD PRO A 58 -10.513 14.601 5.176 1.00 0.00 C ATOM 0 HA PRO A 58 -11.405 11.540 5.853 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.501 13.362 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.235 13.400 7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.544 15.097 4.675 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.068 15.582 6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.232 15.206 4.314 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.849 14.883 5.993 1.00 0.00 H new ATOM 849 N ASN A 59 -11.878 11.021 3.330 1.00 0.00 N ATOM 850 CA ASN A 59 -12.549 10.473 2.157 1.00 0.00 C ATOM 851 C ASN A 59 -11.946 9.127 1.765 1.00 0.00 C ATOM 852 O ASN A 59 -12.667 8.163 1.512 1.00 0.00 O ATOM 853 CB ASN A 59 -12.449 11.449 0.983 1.00 0.00 C ATOM 854 CG ASN A 59 -12.548 12.897 1.426 1.00 0.00 C ATOM 855 OD1 ASN A 59 -11.535 13.553 1.670 1.00 0.00 O ATOM 856 ND2 ASN A 59 -13.772 13.401 1.530 1.00 0.00 N ATOM 0 H ASN A 59 -10.953 10.630 3.508 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.599 10.323 2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.503 11.294 0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.243 11.235 0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -13.902 14.370 1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.583 12.820 1.317 1.00 0.00 H new ATOM 863 N ASN A 60 -10.619 9.070 1.718 1.00 0.00 N ATOM 864 CA ASN A 60 -9.919 7.843 1.358 1.00 0.00 C ATOM 865 C ASN A 60 -9.432 7.108 2.604 1.00 0.00 C ATOM 866 O ASN A 60 -8.886 6.009 2.514 1.00 0.00 O ATOM 867 CB ASN A 60 -8.734 8.157 0.442 1.00 0.00 C ATOM 868 CG ASN A 60 -9.070 9.207 -0.598 1.00 0.00 C ATOM 869 OD1 ASN A 60 -10.066 9.093 -1.313 1.00 0.00 O ATOM 870 ND2 ASN A 60 -8.238 10.238 -0.688 1.00 0.00 N ATOM 0 H ASN A 60 -10.007 9.859 1.925 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.619 7.198 0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.894 8.502 1.045 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.413 7.243 -0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.412 10.976 -1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.424 10.292 -0.075 1.00 0.00 H new ATOM 877 N ARG A 61 -9.636 7.723 3.764 1.00 0.00 N ATOM 878 CA ARG A 61 -9.218 7.128 5.028 1.00 0.00 C ATOM 879 C ARG A 61 -10.263 6.139 5.535 1.00 0.00 C ATOM 880 O ARG A 61 -10.024 5.406 6.493 1.00 0.00 O ATOM 881 CB ARG A 61 -8.980 8.218 6.075 1.00 0.00 C ATOM 882 CG ARG A 61 -10.254 8.909 6.534 1.00 0.00 C ATOM 883 CD ARG A 61 -10.375 8.903 8.050 1.00 0.00 C ATOM 884 NE ARG A 61 -10.973 10.136 8.556 1.00 0.00 N ATOM 885 CZ ARG A 61 -10.360 11.314 8.535 1.00 0.00 C ATOM 886 NH1 ARG A 61 -9.136 11.418 8.034 1.00 0.00 N ATOM 887 NH2 ARG A 61 -10.970 12.390 9.014 1.00 0.00 N ATOM 0 H ARG A 61 -10.088 8.633 3.855 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.286 6.589 4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.484 7.777 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.300 8.964 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.263 9.937 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.118 8.409 6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.980 8.052 8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.387 8.771 8.492 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.914 10.090 8.947 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.664 10.593 7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.666 12.323 8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.911 12.314 9.399 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.498 13.294 8.997 1.00 0.00 H new ATOM 901 N ASN A 62 -11.423 6.127 4.886 1.00 0.00 N ATOM 902 CA ASN A 62 -12.505 5.229 5.272 1.00 0.00 C ATOM 903 C ASN A 62 -12.509 3.976 4.402 1.00 0.00 C ATOM 904 O ASN A 62 -13.295 3.056 4.625 1.00 0.00 O ATOM 905 CB ASN A 62 -13.853 5.944 5.163 1.00 0.00 C ATOM 906 CG ASN A 62 -13.729 7.444 5.354 1.00 0.00 C ATOM 907 OD1 ASN A 62 -12.932 8.102 4.685 1.00 0.00 O ATOM 908 ND2 ASN A 62 -14.519 7.990 6.271 1.00 0.00 N ATOM 0 H ASN A 62 -11.638 6.729 4.091 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.343 4.930 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.292 5.740 4.186 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.537 5.541 5.910 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.480 8.994 6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.164 7.405 6.802 1.00 0.00 H new ATOM 915 N ALA A 63 -11.626 3.948 3.409 1.00 0.00 N ATOM 916 CA ALA A 63 -11.526 2.808 2.507 1.00 0.00 C ATOM 917 C ALA A 63 -10.362 1.903 2.894 1.00 0.00 C ATOM 918 O ALA A 63 -10.393 0.696 2.647 1.00 0.00 O ATOM 919 CB ALA A 63 -11.372 3.284 1.070 1.00 0.00 C ATOM 0 H ALA A 63 -10.969 4.703 3.209 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.446 2.229 2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.298 2.422 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.238 3.884 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.469 3.888 0.982 1.00 0.00 H new ATOM 925 N ILE A 64 -9.336 2.491 3.499 1.00 0.00 N ATOM 926 CA ILE A 64 -8.162 1.737 3.920 1.00 0.00 C ATOM 927 C ILE A 64 -8.086 1.640 5.440 1.00 0.00 C ATOM 928 O ILE A 64 -8.734 2.406 6.154 1.00 0.00 O ATOM 929 CB ILE A 64 -6.864 2.374 3.392 1.00 0.00 C ATOM 930 CG1 ILE A 64 -5.761 1.320 3.279 1.00 0.00 C ATOM 931 CG2 ILE A 64 -6.425 3.512 4.301 1.00 0.00 C ATOM 932 CD1 ILE A 64 -4.644 1.712 2.336 1.00 0.00 C ATOM 0 H ILE A 64 -9.294 3.488 3.709 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.263 0.737 3.499 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.055 2.781 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.342 1.136 4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.200 0.382 2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.506 3.952 3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.205 4.272 4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.249 3.128 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.898 0.918 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.050 1.867 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.179 2.634 2.686 1.00 0.00 H new ATOM 944 N HIS A 65 -7.289 0.695 5.928 1.00 0.00 N ATOM 945 CA HIS A 65 -7.126 0.499 7.364 1.00 0.00 C ATOM 946 C HIS A 65 -6.094 -0.587 7.651 1.00 0.00 C ATOM 947 O HIS A 65 -5.885 -1.504 6.857 1.00 0.00 O ATOM 948 CB HIS A 65 -8.464 0.130 8.006 1.00 0.00 C ATOM 949 CG HIS A 65 -9.264 -0.849 7.202 1.00 0.00 C ATOM 950 ND1 HIS A 65 -10.570 -0.621 6.822 1.00 0.00 N ATOM 951 CD2 HIS A 65 -8.935 -2.063 6.703 1.00 0.00 C ATOM 952 CE1 HIS A 65 -11.010 -1.655 6.127 1.00 0.00 C ATOM 953 NE2 HIS A 65 -10.037 -2.543 6.040 1.00 0.00 N ATOM 0 H HIS A 65 -6.746 0.053 5.350 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.771 1.435 7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.280 -0.289 8.995 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.052 1.037 8.149 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -11.111 0.215 7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.983 -2.562 6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.998 -1.756 5.702 1.00 0.00 H new ATOM 962 N PRO A 66 -5.432 -0.484 8.813 1.00 0.00 N ATOM 963 CA PRO A 66 -4.411 -1.449 9.231 1.00 0.00 C ATOM 964 C PRO A 66 -5.006 -2.809 9.579 1.00 0.00 C ATOM 965 O PRO A 66 -5.929 -2.905 10.387 1.00 0.00 O ATOM 966 CB PRO A 66 -3.797 -0.800 10.474 1.00 0.00 C ATOM 967 CG PRO A 66 -4.870 0.087 11.007 1.00 0.00 C ATOM 968 CD PRO A 66 -5.630 0.583 9.809 1.00 0.00 C ATOM 0 HA PRO A 66 -3.691 -1.649 8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.503 -1.550 11.208 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.902 -0.231 10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.525 -0.458 11.687 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.445 0.917 11.571 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.686 0.730 10.036 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.244 1.539 9.456 1.00 0.00 H new ATOM 976 N GLY A 67 -4.471 -3.859 8.964 1.00 0.00 N ATOM 977 CA GLY A 67 -4.963 -5.200 9.222 1.00 0.00 C ATOM 978 C GLY A 67 -5.396 -5.912 7.956 1.00 0.00 C ATOM 979 O GLY A 67 -5.670 -7.113 7.974 1.00 0.00 O ATOM 0 H GLY A 67 -3.706 -3.805 8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.183 -5.782 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.805 -5.148 9.912 1.00 0.00 H new ATOM 983 N ASP A 68 -5.460 -5.172 6.855 1.00 0.00 N ATOM 984 CA ASP A 68 -5.865 -5.741 5.574 1.00 0.00 C ATOM 985 C ASP A 68 -4.649 -6.029 4.700 1.00 0.00 C ATOM 986 O ASP A 68 -3.508 -5.857 5.129 1.00 0.00 O ATOM 987 CB ASP A 68 -6.817 -4.789 4.848 1.00 0.00 C ATOM 988 CG ASP A 68 -8.274 -5.127 5.095 1.00 0.00 C ATOM 989 OD1 ASP A 68 -8.692 -5.126 6.272 1.00 0.00 O ATOM 990 OD2 ASP A 68 -8.996 -5.391 4.112 1.00 0.00 O ATOM 0 H ASP A 68 -5.237 -4.177 6.823 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.382 -6.681 5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.624 -3.767 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.615 -4.825 3.777 1.00 0.00 H new ATOM 995 N ARG A 69 -4.901 -6.470 3.472 1.00 0.00 N ATOM 996 CA ARG A 69 -3.827 -6.785 2.538 1.00 0.00 C ATOM 997 C ARG A 69 -4.079 -6.137 1.180 1.00 0.00 C ATOM 998 O ARG A 69 -5.226 -5.904 0.796 1.00 0.00 O ATOM 999 CB ARG A 69 -3.693 -8.301 2.374 1.00 0.00 C ATOM 1000 CG ARG A 69 -4.906 -8.953 1.733 1.00 0.00 C ATOM 1001 CD ARG A 69 -5.988 -9.249 2.760 1.00 0.00 C ATOM 1002 NE ARG A 69 -6.589 -10.564 2.559 1.00 0.00 N ATOM 1003 CZ ARG A 69 -5.917 -11.705 2.670 1.00 0.00 C ATOM 1004 NH1 ARG A 69 -4.628 -11.691 2.980 1.00 0.00 N ATOM 1005 NH2 ARG A 69 -6.535 -12.862 2.472 1.00 0.00 N ATOM 0 H ARG A 69 -5.840 -6.617 3.101 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.898 -6.386 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.813 -8.516 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.524 -8.750 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.307 -8.298 0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.606 -9.879 1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.561 -9.195 3.762 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -6.762 -8.484 2.701 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.580 -10.610 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.150 -10.803 3.134 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -4.114 -12.568 3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.527 -12.876 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.018 -13.737 2.557 1.00 0.00 H new ATOM 1019 N ILE A 70 -3.001 -5.846 0.459 1.00 0.00 N ATOM 1020 CA ILE A 70 -3.107 -5.225 -0.855 1.00 0.00 C ATOM 1021 C ILE A 70 -2.799 -6.227 -1.963 1.00 0.00 C ATOM 1022 O ILE A 70 -1.800 -6.945 -1.905 1.00 0.00 O ATOM 1023 CB ILE A 70 -2.154 -4.022 -0.987 1.00 0.00 C ATOM 1024 CG1 ILE A 70 -2.397 -3.025 0.148 1.00 0.00 C ATOM 1025 CG2 ILE A 70 -2.336 -3.348 -2.339 1.00 0.00 C ATOM 1026 CD1 ILE A 70 -1.423 -1.867 0.154 1.00 0.00 C ATOM 0 H ILE A 70 -2.045 -6.030 0.763 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.135 -4.877 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.127 -4.381 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.412 -2.635 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.332 -3.549 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.656 -2.500 -2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.119 -4.062 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.364 -2.999 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.655 -1.201 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.407 -2.246 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.504 -1.318 -0.784 1.00 0.00 H new ATOM 1038 N LEU A 71 -3.661 -6.268 -2.972 1.00 0.00 N ATOM 1039 CA LEU A 71 -3.481 -7.180 -4.096 1.00 0.00 C ATOM 1040 C LEU A 71 -2.875 -6.456 -5.294 1.00 0.00 C ATOM 1041 O LEU A 71 -2.169 -7.057 -6.103 1.00 0.00 O ATOM 1042 CB LEU A 71 -4.819 -7.808 -4.489 1.00 0.00 C ATOM 1043 CG LEU A 71 -5.818 -8.026 -3.351 1.00 0.00 C ATOM 1044 CD1 LEU A 71 -7.152 -8.512 -3.898 1.00 0.00 C ATOM 1045 CD2 LEU A 71 -5.263 -9.016 -2.337 1.00 0.00 C ATOM 0 H LEU A 71 -4.492 -5.680 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.794 -7.968 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.288 -7.174 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.621 -8.770 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.980 -7.073 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.850 -8.662 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.556 -7.769 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.007 -9.454 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.987 -9.159 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.072 -9.970 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.333 -8.628 -1.922 1.00 0.00 H new ATOM 1057 N GLU A 72 -3.155 -5.161 -5.399 1.00 0.00 N ATOM 1058 CA GLU A 72 -2.636 -4.354 -6.498 1.00 0.00 C ATOM 1059 C GLU A 72 -2.333 -2.933 -6.034 1.00 0.00 C ATOM 1060 O GLU A 72 -2.935 -2.438 -5.080 1.00 0.00 O ATOM 1061 CB GLU A 72 -3.637 -4.323 -7.654 1.00 0.00 C ATOM 1062 CG GLU A 72 -3.976 -5.698 -8.204 1.00 0.00 C ATOM 1063 CD GLU A 72 -5.327 -5.735 -8.891 1.00 0.00 C ATOM 1064 OE1 GLU A 72 -5.791 -4.668 -9.344 1.00 0.00 O ATOM 1065 OE2 GLU A 72 -5.920 -6.831 -8.975 1.00 0.00 O ATOM 0 H GLU A 72 -3.738 -4.648 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.708 -4.810 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.554 -3.840 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.231 -3.709 -8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.205 -6.002 -8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.966 -6.423 -7.390 1.00 0.00 H new ATOM 1072 N ILE A 73 -1.395 -2.282 -6.714 1.00 0.00 N ATOM 1073 CA ILE A 73 -1.013 -0.917 -6.372 1.00 0.00 C ATOM 1074 C ILE A 73 -0.831 -0.067 -7.625 1.00 0.00 C ATOM 1075 O ILE A 73 -0.078 -0.428 -8.528 1.00 0.00 O ATOM 1076 CB ILE A 73 0.290 -0.887 -5.551 1.00 0.00 C ATOM 1077 CG1 ILE A 73 0.295 -2.017 -4.519 1.00 0.00 C ATOM 1078 CG2 ILE A 73 0.454 0.463 -4.868 1.00 0.00 C ATOM 1079 CD1 ILE A 73 1.189 -1.744 -3.330 1.00 0.00 C ATOM 0 H ILE A 73 -0.886 -2.677 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.822 -0.504 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 73 1.132 -1.035 -6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.724 -2.182 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.618 -2.939 -5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.379 0.469 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.491 1.250 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.390 0.638 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.144 -2.586 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.216 -1.609 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.853 -0.840 -2.822 1.00 0.00 H new ATOM 1091 N ASN A 74 -1.526 1.065 -7.671 1.00 0.00 N ATOM 1092 CA ASN A 74 -1.440 1.968 -8.812 1.00 0.00 C ATOM 1093 C ASN A 74 -2.036 1.325 -10.061 1.00 0.00 C ATOM 1094 O ASN A 74 -1.915 1.857 -11.164 1.00 0.00 O ATOM 1095 CB ASN A 74 0.016 2.360 -9.072 1.00 0.00 C ATOM 1096 CG ASN A 74 0.746 2.748 -7.800 1.00 0.00 C ATOM 1097 OD1 ASN A 74 0.583 3.857 -7.292 1.00 0.00 O ATOM 1098 ND2 ASN A 74 1.556 1.833 -7.281 1.00 0.00 N ATOM 0 H ASN A 74 -2.155 1.378 -6.931 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.014 2.865 -8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.535 1.527 -9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.045 3.194 -9.773 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.074 2.037 -6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.660 0.926 -7.737 1.00 0.00 H new ATOM 1105 N GLY A 75 -2.680 0.176 -9.878 1.00 0.00 N ATOM 1106 CA GLY A 75 -3.285 -0.521 -10.998 1.00 0.00 C ATOM 1107 C GLY A 75 -2.353 -1.543 -11.617 1.00 0.00 C ATOM 1108 O GLY A 75 -2.235 -1.628 -12.840 1.00 0.00 O ATOM 0 H GLY A 75 -2.793 -0.284 -8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.195 -1.019 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.580 0.204 -11.757 1.00 0.00 H new ATOM 1112 N THR A 76 -1.687 -2.323 -10.771 1.00 0.00 N ATOM 1113 CA THR A 76 -0.758 -3.343 -11.241 1.00 0.00 C ATOM 1114 C THR A 76 -0.712 -4.528 -10.285 1.00 0.00 C ATOM 1115 O THR A 76 -0.887 -4.387 -9.074 1.00 0.00 O ATOM 1116 CB THR A 76 0.665 -2.774 -11.405 1.00 0.00 C ATOM 1117 OG1 THR A 76 1.062 -2.836 -12.779 1.00 0.00 O ATOM 1118 CG2 THR A 76 1.658 -3.547 -10.549 1.00 0.00 C ATOM 0 H THR A 76 -1.774 -2.268 -9.756 1.00 0.00 H new ATOM 0 HA THR A 76 -1.122 -3.678 -12.212 1.00 0.00 H new ATOM 0 HB THR A 76 0.658 -1.735 -11.076 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.966 -2.471 -12.875 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.656 -3.128 -10.681 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.369 -3.473 -9.501 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.662 -4.594 -10.852 1.00 0.00 H new ATOM 1126 N PRO A 77 -0.471 -5.727 -10.837 1.00 0.00 N ATOM 1127 CA PRO A 77 -0.395 -6.961 -10.049 1.00 0.00 C ATOM 1128 C PRO A 77 0.846 -7.009 -9.165 1.00 0.00 C ATOM 1129 O PRO A 77 1.972 -6.894 -9.651 1.00 0.00 O ATOM 1130 CB PRO A 77 -0.336 -8.058 -11.115 1.00 0.00 C ATOM 1131 CG PRO A 77 0.238 -7.390 -12.316 1.00 0.00 C ATOM 1132 CD PRO A 77 -0.252 -5.969 -12.273 1.00 0.00 C ATOM 0 HA PRO A 77 -1.236 -7.059 -9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.287 -8.892 -10.791 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.327 -8.462 -11.323 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.327 -7.428 -12.300 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.085 -7.887 -13.231 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.481 -5.278 -12.690 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.170 -5.843 -12.846 1.00 0.00 H new ATOM 1140 N VAL A 78 0.634 -7.180 -7.864 1.00 0.00 N ATOM 1141 CA VAL A 78 1.736 -7.245 -6.912 1.00 0.00 C ATOM 1142 C VAL A 78 2.458 -8.585 -6.997 1.00 0.00 C ATOM 1143 O VAL A 78 3.651 -8.678 -6.708 1.00 0.00 O ATOM 1144 CB VAL A 78 1.244 -7.031 -5.468 1.00 0.00 C ATOM 1145 CG1 VAL A 78 0.560 -5.679 -5.332 1.00 0.00 C ATOM 1146 CG2 VAL A 78 0.308 -8.156 -5.052 1.00 0.00 C ATOM 0 H VAL A 78 -0.291 -7.276 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 78 2.428 -6.445 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 78 2.107 -7.043 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.219 -5.545 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.265 -4.887 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.295 -5.634 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.030 -7.989 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.553 -8.178 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.836 -9.108 -5.109 1.00 0.00 H new ATOM 1156 N ARG A 79 1.727 -9.620 -7.397 1.00 0.00 N ATOM 1157 CA ARG A 79 2.297 -10.956 -7.520 1.00 0.00 C ATOM 1158 C ARG A 79 3.496 -10.951 -8.464 1.00 0.00 C ATOM 1159 O ARG A 79 4.402 -11.775 -8.341 1.00 0.00 O ATOM 1160 CB ARG A 79 1.241 -11.941 -8.026 1.00 0.00 C ATOM 1161 CG ARG A 79 0.319 -11.355 -9.083 1.00 0.00 C ATOM 1162 CD ARG A 79 -0.968 -10.827 -8.469 1.00 0.00 C ATOM 1163 NE ARG A 79 -2.083 -11.751 -8.658 1.00 0.00 N ATOM 1164 CZ ARG A 79 -3.251 -11.631 -8.036 1.00 0.00 C ATOM 1165 NH1 ARG A 79 -3.455 -10.630 -7.190 1.00 0.00 N ATOM 1166 NH2 ARG A 79 -4.218 -12.511 -8.261 1.00 0.00 N ATOM 0 H ARG A 79 0.739 -9.559 -7.641 1.00 0.00 H new ATOM 0 HA ARG A 79 2.634 -11.271 -6.533 1.00 0.00 H new ATOM 0 HB2 ARG A 79 1.741 -12.817 -8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.642 -12.283 -7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.831 -10.548 -9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.083 -12.118 -9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.817 -10.654 -7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.215 -9.864 -8.916 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.958 -12.531 -9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.715 -9.950 -7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.352 -10.540 -6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.065 -13.281 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.114 -12.418 -7.783 1.00 0.00 H new ATOM 1180 N THR A 80 3.494 -10.016 -9.409 1.00 0.00 N ATOM 1181 CA THR A 80 4.579 -9.903 -10.376 1.00 0.00 C ATOM 1182 C THR A 80 5.576 -8.827 -9.961 1.00 0.00 C ATOM 1183 O THR A 80 6.785 -8.983 -10.142 1.00 0.00 O ATOM 1184 CB THR A 80 4.046 -9.578 -11.784 1.00 0.00 C ATOM 1185 OG1 THR A 80 3.728 -8.185 -11.877 1.00 0.00 O ATOM 1186 CG2 THR A 80 2.811 -10.407 -12.100 1.00 0.00 C ATOM 0 H THR A 80 2.752 -9.325 -9.525 1.00 0.00 H new ATOM 0 HA THR A 80 5.082 -10.870 -10.401 1.00 0.00 H new ATOM 0 HB THR A 80 4.823 -9.823 -12.508 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.186 -7.921 -11.104 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.453 -10.160 -13.099 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.063 -11.467 -12.056 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.030 -10.190 -11.371 1.00 0.00 H new ATOM 1194 N LEU A 81 5.063 -7.736 -9.402 1.00 0.00 N ATOM 1195 CA LEU A 81 5.910 -6.633 -8.960 1.00 0.00 C ATOM 1196 C LEU A 81 7.057 -7.141 -8.092 1.00 0.00 C ATOM 1197 O LEU A 81 6.908 -8.120 -7.360 1.00 0.00 O ATOM 1198 CB LEU A 81 5.081 -5.609 -8.182 1.00 0.00 C ATOM 1199 CG LEU A 81 4.266 -4.627 -9.024 1.00 0.00 C ATOM 1200 CD1 LEU A 81 3.660 -3.545 -8.144 1.00 0.00 C ATOM 1201 CD2 LEU A 81 5.133 -4.010 -10.112 1.00 0.00 C ATOM 0 H LEU A 81 4.066 -7.592 -9.244 1.00 0.00 H new ATOM 0 HA LEU A 81 6.332 -6.154 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.398 -6.148 -7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.753 -5.037 -7.542 1.00 0.00 H new ATOM 0 HG LEU A 81 3.454 -5.174 -9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.084 -2.855 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.005 -4.003 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.456 -3.000 -7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.536 -3.314 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.966 -3.477 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.518 -4.797 -10.760 1.00 0.00 H new ATOM 1213 N ARG A 82 8.199 -6.468 -8.178 1.00 0.00 N ATOM 1214 CA ARG A 82 9.372 -6.850 -7.400 1.00 0.00 C ATOM 1215 C ARG A 82 9.343 -6.202 -6.019 1.00 0.00 C ATOM 1216 O ARG A 82 8.573 -5.273 -5.774 1.00 0.00 O ATOM 1217 CB ARG A 82 10.651 -6.451 -8.136 1.00 0.00 C ATOM 1218 CG ARG A 82 10.946 -7.310 -9.355 1.00 0.00 C ATOM 1219 CD ARG A 82 12.146 -6.785 -10.129 1.00 0.00 C ATOM 1220 NE ARG A 82 11.963 -6.911 -11.573 1.00 0.00 N ATOM 1221 CZ ARG A 82 12.940 -6.733 -12.455 1.00 0.00 C ATOM 1222 NH1 ARG A 82 14.162 -6.425 -12.044 1.00 0.00 N ATOM 1223 NH2 ARG A 82 12.695 -6.865 -13.753 1.00 0.00 N ATOM 0 H ARG A 82 8.338 -5.655 -8.779 1.00 0.00 H new ATOM 0 HA ARG A 82 9.357 -7.933 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.571 -5.409 -8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.492 -6.514 -7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.135 -8.337 -9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.072 -7.331 -10.006 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.312 -5.738 -9.874 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.039 -7.332 -9.828 1.00 0.00 H new ATOM 0 HE ARG A 82 11.035 -7.149 -11.923 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.355 -6.324 -11.047 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.910 -6.289 -12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.756 -7.103 -14.073 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.445 -6.728 -14.430 1.00 0.00 H new ATOM 1237 N VAL A 83 10.187 -6.698 -5.120 1.00 0.00 N ATOM 1238 CA VAL A 83 10.259 -6.167 -3.764 1.00 0.00 C ATOM 1239 C VAL A 83 10.498 -4.661 -3.776 1.00 0.00 C ATOM 1240 O VAL A 83 9.694 -3.892 -3.249 1.00 0.00 O ATOM 1241 CB VAL A 83 11.378 -6.847 -2.954 1.00 0.00 C ATOM 1242 CG1 VAL A 83 11.536 -6.179 -1.597 1.00 0.00 C ATOM 1243 CG2 VAL A 83 11.093 -8.333 -2.796 1.00 0.00 C ATOM 0 H VAL A 83 10.831 -7.467 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 83 9.300 -6.376 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 83 12.316 -6.736 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.331 -6.673 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.789 -5.128 -1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.601 -6.257 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.894 -8.798 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.146 -8.468 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 83 11.035 -8.799 -3.780 1.00 0.00 H new ATOM 1253 N GLU A 84 11.607 -4.248 -4.380 1.00 0.00 N ATOM 1254 CA GLU A 84 11.951 -2.834 -4.460 1.00 0.00 C ATOM 1255 C GLU A 84 10.859 -2.047 -5.179 1.00 0.00 C ATOM 1256 O GLU A 84 10.778 -0.826 -5.058 1.00 0.00 O ATOM 1257 CB GLU A 84 13.287 -2.651 -5.184 1.00 0.00 C ATOM 1258 CG GLU A 84 13.257 -3.091 -6.638 1.00 0.00 C ATOM 1259 CD GLU A 84 14.224 -2.308 -7.505 1.00 0.00 C ATOM 1260 OE1 GLU A 84 13.907 -1.151 -7.852 1.00 0.00 O ATOM 1261 OE2 GLU A 84 15.298 -2.853 -7.836 1.00 0.00 O ATOM 0 H GLU A 84 12.282 -4.872 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 84 12.041 -2.451 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.575 -1.601 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.056 -3.216 -4.658 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.499 -4.152 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.246 -2.972 -7.029 1.00 0.00 H new ATOM 1268 N GLU A 85 10.022 -2.758 -5.929 1.00 0.00 N ATOM 1269 CA GLU A 85 8.936 -2.127 -6.669 1.00 0.00 C ATOM 1270 C GLU A 85 7.791 -1.747 -5.735 1.00 0.00 C ATOM 1271 O GLU A 85 7.509 -0.566 -5.529 1.00 0.00 O ATOM 1272 CB GLU A 85 8.425 -3.063 -7.766 1.00 0.00 C ATOM 1273 CG GLU A 85 8.570 -2.494 -9.167 1.00 0.00 C ATOM 1274 CD GLU A 85 7.703 -1.271 -9.393 1.00 0.00 C ATOM 1275 OE1 GLU A 85 7.928 -0.251 -8.709 1.00 0.00 O ATOM 1276 OE2 GLU A 85 6.800 -1.333 -10.253 1.00 0.00 O ATOM 0 H GLU A 85 10.076 -3.771 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 85 9.324 -1.218 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 85 8.967 -4.007 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.374 -3.287 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.613 -2.232 -9.343 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.307 -3.261 -9.896 1.00 0.00 H new ATOM 1283 N VAL A 86 7.133 -2.756 -5.173 1.00 0.00 N ATOM 1284 CA VAL A 86 6.019 -2.529 -4.260 1.00 0.00 C ATOM 1285 C VAL A 86 6.359 -1.453 -3.235 1.00 0.00 C ATOM 1286 O VAL A 86 5.632 -0.471 -3.088 1.00 0.00 O ATOM 1287 CB VAL A 86 5.626 -3.822 -3.521 1.00 0.00 C ATOM 1288 CG1 VAL A 86 4.236 -3.691 -2.919 1.00 0.00 C ATOM 1289 CG2 VAL A 86 5.699 -5.016 -4.461 1.00 0.00 C ATOM 0 H VAL A 86 7.352 -3.739 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 86 5.176 -2.196 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 86 6.334 -3.985 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.975 -4.614 -2.401 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.222 -2.862 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.512 -3.503 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.418 -5.921 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.015 -4.864 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.716 -5.120 -4.839 1.00 0.00 H new ATOM 1299 N GLU A 87 7.468 -1.646 -2.528 1.00 0.00 N ATOM 1300 CA GLU A 87 7.904 -0.692 -1.516 1.00 0.00 C ATOM 1301 C GLU A 87 7.850 0.735 -2.054 1.00 0.00 C ATOM 1302 O GLU A 87 7.093 1.569 -1.558 1.00 0.00 O ATOM 1303 CB GLU A 87 9.325 -1.020 -1.051 1.00 0.00 C ATOM 1304 CG GLU A 87 10.250 -1.446 -2.179 1.00 0.00 C ATOM 1305 CD GLU A 87 11.375 -0.456 -2.415 1.00 0.00 C ATOM 1306 OE1 GLU A 87 11.138 0.560 -3.100 1.00 0.00 O ATOM 1307 OE2 GLU A 87 12.493 -0.699 -1.914 1.00 0.00 O ATOM 0 H GLU A 87 8.080 -2.454 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 87 7.225 -0.768 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.748 -0.146 -0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.281 -1.816 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.673 -2.423 -1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.671 -1.558 -3.096 1.00 0.00 H new ATOM 1314 N ASP A 88 8.660 1.008 -3.071 1.00 0.00 N ATOM 1315 CA ASP A 88 8.705 2.334 -3.678 1.00 0.00 C ATOM 1316 C ASP A 88 7.297 2.857 -3.946 1.00 0.00 C ATOM 1317 O ASP A 88 6.935 3.946 -3.504 1.00 0.00 O ATOM 1318 CB ASP A 88 9.505 2.294 -4.982 1.00 0.00 C ATOM 1319 CG ASP A 88 10.180 3.616 -5.287 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.599 4.670 -4.953 1.00 0.00 O ATOM 1321 OD2 ASP A 88 11.290 3.598 -5.860 1.00 0.00 O ATOM 0 H ASP A 88 9.294 0.329 -3.493 1.00 0.00 H new ATOM 0 HA ASP A 88 9.197 3.010 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.260 1.510 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.840 2.030 -5.805 1.00 0.00 H new ATOM 1326 N ALA A 89 6.509 2.073 -4.674 1.00 0.00 N ATOM 1327 CA ALA A 89 5.141 2.456 -5.000 1.00 0.00 C ATOM 1328 C ALA A 89 4.497 3.223 -3.849 1.00 0.00 C ATOM 1329 O ALA A 89 3.771 4.194 -4.068 1.00 0.00 O ATOM 1330 CB ALA A 89 4.315 1.226 -5.344 1.00 0.00 C ATOM 0 H ALA A 89 6.795 1.169 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 89 5.172 3.113 -5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.296 1.528 -5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.756 0.720 -6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.300 0.547 -4.491 1.00 0.00 H new ATOM 1336 N ILE A 90 4.766 2.781 -2.626 1.00 0.00 N ATOM 1337 CA ILE A 90 4.213 3.426 -1.442 1.00 0.00 C ATOM 1338 C ILE A 90 4.861 4.785 -1.202 1.00 0.00 C ATOM 1339 O ILE A 90 4.174 5.789 -1.015 1.00 0.00 O ATOM 1340 CB ILE A 90 4.398 2.553 -0.187 1.00 0.00 C ATOM 1341 CG1 ILE A 90 4.219 1.074 -0.536 1.00 0.00 C ATOM 1342 CG2 ILE A 90 3.415 2.969 0.898 1.00 0.00 C ATOM 1343 CD1 ILE A 90 3.052 0.809 -1.462 1.00 0.00 C ATOM 0 H ILE A 90 5.364 1.978 -2.429 1.00 0.00 H new ATOM 0 HA ILE A 90 3.147 3.562 -1.626 1.00 0.00 H new ATOM 0 HB ILE A 90 5.410 2.698 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.133 0.706 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.079 0.506 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.558 2.343 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.586 4.012 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.396 2.850 0.530 1.00 0.00 H new ATOM 0 HD11 ILE A 90 2.985 -0.260 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.129 1.146 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.200 1.349 -2.397 1.00 0.00 H new ATOM 1355 N LYS A 91 6.190 4.810 -1.211 1.00 0.00 N ATOM 1356 CA LYS A 91 6.934 6.046 -0.998 1.00 0.00 C ATOM 1357 C LYS A 91 6.905 6.920 -2.247 1.00 0.00 C ATOM 1358 O LYS A 91 7.496 7.999 -2.274 1.00 0.00 O ATOM 1359 CB LYS A 91 8.382 5.734 -0.615 1.00 0.00 C ATOM 1360 CG LYS A 91 8.526 4.509 0.272 1.00 0.00 C ATOM 1361 CD LYS A 91 9.954 4.343 0.765 1.00 0.00 C ATOM 1362 CE LYS A 91 10.176 2.968 1.377 1.00 0.00 C ATOM 1363 NZ LYS A 91 11.361 2.946 2.278 1.00 0.00 N ATOM 0 H LYS A 91 6.774 3.988 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 91 6.458 6.591 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.965 5.585 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.807 6.596 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.853 4.595 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.226 3.620 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.646 4.489 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.176 5.112 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.289 2.672 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.311 2.234 0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.478 1.992 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.212 3.203 1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.222 3.628 3.051 1.00 0.00 H new ATOM 1377 N GLN A 92 6.212 6.448 -3.279 1.00 0.00 N ATOM 1378 CA GLN A 92 6.106 7.189 -4.531 1.00 0.00 C ATOM 1379 C GLN A 92 5.061 8.294 -4.422 1.00 0.00 C ATOM 1380 O GLN A 92 4.105 8.338 -5.197 1.00 0.00 O ATOM 1381 CB GLN A 92 5.749 6.243 -5.679 1.00 0.00 C ATOM 1382 CG GLN A 92 6.943 5.486 -6.237 1.00 0.00 C ATOM 1383 CD GLN A 92 7.166 5.754 -7.712 1.00 0.00 C ATOM 1384 OE1 GLN A 92 6.973 6.874 -8.188 1.00 0.00 O ATOM 1385 NE2 GLN A 92 7.576 4.726 -8.446 1.00 0.00 N ATOM 0 H GLN A 92 5.716 5.557 -3.273 1.00 0.00 H new ATOM 0 HA GLN A 92 7.073 7.648 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.006 5.526 -5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.286 6.817 -6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.838 5.766 -5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.794 4.417 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.723 3.815 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.744 4.847 -9.445 1.00 0.00 H new ATOM 1394 N THR A 93 5.248 9.186 -3.454 1.00 0.00 N ATOM 1395 CA THR A 93 4.321 10.291 -3.243 1.00 0.00 C ATOM 1396 C THR A 93 4.555 11.406 -4.255 1.00 0.00 C ATOM 1397 O THR A 93 4.761 12.562 -3.883 1.00 0.00 O ATOM 1398 CB THR A 93 4.449 10.867 -1.821 1.00 0.00 C ATOM 1399 OG1 THR A 93 5.755 11.425 -1.634 1.00 0.00 O ATOM 1400 CG2 THR A 93 4.197 9.791 -0.776 1.00 0.00 C ATOM 0 H THR A 93 6.033 9.165 -2.804 1.00 0.00 H new ATOM 0 HA THR A 93 3.316 9.890 -3.375 1.00 0.00 H new ATOM 0 HB THR A 93 3.700 11.649 -1.701 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.902 12.139 -2.289 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.293 10.222 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.192 9.389 -0.902 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.926 8.989 -0.896 1.00 0.00 H new ATOM 1408 N SER A 94 4.522 11.054 -5.536 1.00 0.00 N ATOM 1409 CA SER A 94 4.734 12.026 -6.602 1.00 0.00 C ATOM 1410 C SER A 94 3.490 12.154 -7.476 1.00 0.00 C ATOM 1411 O SER A 94 3.222 13.215 -8.039 1.00 0.00 O ATOM 1412 CB SER A 94 5.934 11.620 -7.460 1.00 0.00 C ATOM 1413 OG SER A 94 6.025 12.424 -8.623 1.00 0.00 O ATOM 0 H SER A 94 4.350 10.103 -5.861 1.00 0.00 H new ATOM 0 HA SER A 94 4.935 12.994 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.850 11.714 -6.877 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.843 10.572 -7.745 1.00 0.00 H new ATOM 0 HG SER A 94 6.801 12.146 -9.153 1.00 0.00 H new ATOM 1419 N GLN A 95 2.736 11.065 -7.583 1.00 0.00 N ATOM 1420 CA GLN A 95 1.520 11.055 -8.389 1.00 0.00 C ATOM 1421 C GLN A 95 0.395 10.322 -7.667 1.00 0.00 C ATOM 1422 O GLN A 95 0.538 9.927 -6.509 1.00 0.00 O ATOM 1423 CB GLN A 95 1.787 10.397 -9.744 1.00 0.00 C ATOM 1424 CG GLN A 95 2.970 10.994 -10.488 1.00 0.00 C ATOM 1425 CD GLN A 95 3.812 9.943 -11.185 1.00 0.00 C ATOM 1426 OE1 GLN A 95 4.477 9.134 -10.537 1.00 0.00 O ATOM 1427 NE2 GLN A 95 3.786 9.949 -12.513 1.00 0.00 N ATOM 0 H GLN A 95 2.945 10.179 -7.123 1.00 0.00 H new ATOM 0 HA GLN A 95 1.211 12.088 -8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.964 9.332 -9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.895 10.487 -10.364 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.607 11.710 -11.225 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.594 11.547 -9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.221 10.638 -13.009 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.331 9.265 -13.037 1.00 0.00 H new ATOM 1436 N THR A 96 -0.727 10.143 -8.358 1.00 0.00 N ATOM 1437 CA THR A 96 -1.878 9.459 -7.782 1.00 0.00 C ATOM 1438 C THR A 96 -1.562 7.995 -7.497 1.00 0.00 C ATOM 1439 O THR A 96 -1.280 7.221 -8.413 1.00 0.00 O ATOM 1440 CB THR A 96 -3.102 9.536 -8.715 1.00 0.00 C ATOM 1441 OG1 THR A 96 -2.742 10.181 -9.942 1.00 0.00 O ATOM 1442 CG2 THR A 96 -4.241 10.296 -8.051 1.00 0.00 C ATOM 0 H THR A 96 -0.863 10.462 -9.317 1.00 0.00 H new ATOM 0 HA THR A 96 -2.111 9.966 -6.846 1.00 0.00 H new ATOM 0 HB THR A 96 -3.438 8.520 -8.924 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.524 10.225 -10.530 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.094 10.338 -8.728 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.531 9.786 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.914 11.309 -7.816 1.00 0.00 H new ATOM 1450 N LEU A 97 -1.611 7.621 -6.223 1.00 0.00 N ATOM 1451 CA LEU A 97 -1.330 6.248 -5.818 1.00 0.00 C ATOM 1452 C LEU A 97 -2.621 5.498 -5.505 1.00 0.00 C ATOM 1453 O LEU A 97 -3.365 5.875 -4.600 1.00 0.00 O ATOM 1454 CB LEU A 97 -0.411 6.235 -4.595 1.00 0.00 C ATOM 1455 CG LEU A 97 -0.660 5.118 -3.581 1.00 0.00 C ATOM 1456 CD1 LEU A 97 -0.537 3.756 -4.245 1.00 0.00 C ATOM 1457 CD2 LEU A 97 0.309 5.233 -2.413 1.00 0.00 C ATOM 0 H LEU A 97 -1.843 8.249 -5.453 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.831 5.745 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.620 6.161 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.508 7.192 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.675 5.222 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.718 2.974 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.271 3.675 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.465 3.641 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.118 4.430 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.332 5.156 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.172 6.195 -1.920 1.00 0.00 H new ATOM 1469 N GLN A 98 -2.879 4.434 -6.259 1.00 0.00 N ATOM 1470 CA GLN A 98 -4.079 3.631 -6.061 1.00 0.00 C ATOM 1471 C GLN A 98 -3.781 2.410 -5.197 1.00 0.00 C ATOM 1472 O GLN A 98 -2.655 1.910 -5.178 1.00 0.00 O ATOM 1473 CB GLN A 98 -4.650 3.189 -7.409 1.00 0.00 C ATOM 1474 CG GLN A 98 -5.983 3.838 -7.748 1.00 0.00 C ATOM 1475 CD GLN A 98 -6.590 3.292 -9.025 1.00 0.00 C ATOM 1476 OE1 GLN A 98 -5.884 3.023 -9.997 1.00 0.00 O ATOM 1477 NE2 GLN A 98 -7.907 3.124 -9.030 1.00 0.00 N ATOM 0 H GLN A 98 -2.273 4.109 -7.012 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.816 4.246 -5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.931 3.424 -8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -4.773 2.106 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.679 3.682 -6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.844 4.914 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.454 3.360 -8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -8.371 2.759 -9.862 1.00 0.00 H new ATOM 1486 N LEU A 99 -4.795 1.935 -4.483 1.00 0.00 N ATOM 1487 CA LEU A 99 -4.641 0.772 -3.616 1.00 0.00 C ATOM 1488 C LEU A 99 -5.872 -0.126 -3.686 1.00 0.00 C ATOM 1489 O LEU A 99 -7.006 0.350 -3.618 1.00 0.00 O ATOM 1490 CB LEU A 99 -4.401 1.216 -2.172 1.00 0.00 C ATOM 1491 CG LEU A 99 -3.170 2.091 -1.934 1.00 0.00 C ATOM 1492 CD1 LEU A 99 -3.392 3.013 -0.746 1.00 0.00 C ATOM 1493 CD2 LEU A 99 -1.936 1.227 -1.718 1.00 0.00 C ATOM 0 H LEU A 99 -5.732 2.337 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.779 0.203 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.281 1.761 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.315 0.326 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.008 2.706 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.505 3.628 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.250 3.656 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.580 2.417 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.069 1.866 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.088 0.586 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.766 0.609 -2.600 1.00 0.00 H new ATOM 1505 N LEU A 100 -5.642 -1.428 -3.819 1.00 0.00 N ATOM 1506 CA LEU A 100 -6.732 -2.394 -3.896 1.00 0.00 C ATOM 1507 C LEU A 100 -6.752 -3.291 -2.663 1.00 0.00 C ATOM 1508 O LEU A 100 -5.963 -4.231 -2.555 1.00 0.00 O ATOM 1509 CB LEU A 100 -6.597 -3.246 -5.159 1.00 0.00 C ATOM 1510 CG LEU A 100 -7.735 -4.231 -5.429 1.00 0.00 C ATOM 1511 CD1 LEU A 100 -8.981 -3.494 -5.893 1.00 0.00 C ATOM 1512 CD2 LEU A 100 -7.310 -5.266 -6.460 1.00 0.00 C ATOM 0 H LEU A 100 -4.710 -1.839 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.671 -1.842 -3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.510 -2.578 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.665 -3.807 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.970 -4.749 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.780 -4.212 -6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.297 -2.792 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.761 -2.949 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.132 -5.959 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.047 -4.765 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.446 -5.817 -6.088 1.00 0.00 H new ATOM 1524 N ILE A 101 -7.659 -2.997 -1.738 1.00 0.00 N ATOM 1525 CA ILE A 101 -7.784 -3.780 -0.515 1.00 0.00 C ATOM 1526 C ILE A 101 -8.834 -4.874 -0.667 1.00 0.00 C ATOM 1527 O ILE A 101 -9.748 -4.761 -1.483 1.00 0.00 O ATOM 1528 CB ILE A 101 -8.155 -2.891 0.687 1.00 0.00 C ATOM 1529 CG1 ILE A 101 -7.716 -1.447 0.436 1.00 0.00 C ATOM 1530 CG2 ILE A 101 -7.519 -3.430 1.961 1.00 0.00 C ATOM 1531 CD1 ILE A 101 -6.243 -1.310 0.120 1.00 0.00 C ATOM 0 H ILE A 101 -8.318 -2.222 -1.812 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.811 -4.237 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.238 -2.905 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.296 -1.038 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.948 -0.847 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.790 -2.791 2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.876 -4.443 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.435 -3.442 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.003 -0.260 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -5.655 -1.689 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.009 -1.882 -0.777 1.00 0.00 H new ATOM 1543 N GLU A 102 -8.699 -5.932 0.127 1.00 0.00 N ATOM 1544 CA GLU A 102 -9.638 -7.047 0.080 1.00 0.00 C ATOM 1545 C GLU A 102 -10.268 -7.285 1.449 1.00 0.00 C ATOM 1546 O GLU A 102 -9.577 -7.301 2.469 1.00 0.00 O ATOM 1547 CB GLU A 102 -8.932 -8.318 -0.396 1.00 0.00 C ATOM 1548 CG GLU A 102 -9.834 -9.259 -1.178 1.00 0.00 C ATOM 1549 CD GLU A 102 -10.557 -10.249 -0.285 1.00 0.00 C ATOM 1550 OE1 GLU A 102 -11.457 -9.823 0.468 1.00 0.00 O ATOM 1551 OE2 GLU A 102 -10.221 -11.451 -0.340 1.00 0.00 O ATOM 0 H GLU A 102 -7.949 -6.040 0.810 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.429 -6.793 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.083 -8.040 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.532 -8.847 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.567 -8.675 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -9.238 -9.804 -1.910 1.00 0.00 H new ATOM 1558 N HIS A 103 -11.584 -7.469 1.465 1.00 0.00 N ATOM 1559 CA HIS A 103 -12.309 -7.706 2.708 1.00 0.00 C ATOM 1560 C HIS A 103 -12.610 -9.191 2.886 1.00 0.00 C ATOM 1561 O HIS A 103 -13.450 -9.753 2.183 1.00 0.00 O ATOM 1562 CB HIS A 103 -13.610 -6.904 2.726 1.00 0.00 C ATOM 1563 CG HIS A 103 -13.400 -5.421 2.726 1.00 0.00 C ATOM 1564 ND1 HIS A 103 -12.223 -4.828 3.131 1.00 0.00 N ATOM 1565 CD2 HIS A 103 -14.224 -4.410 2.364 1.00 0.00 C ATOM 1566 CE1 HIS A 103 -12.333 -3.516 3.021 1.00 0.00 C ATOM 1567 NE2 HIS A 103 -13.538 -3.237 2.557 1.00 0.00 N ATOM 0 H HIS A 103 -12.171 -7.459 0.631 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.679 -7.379 3.535 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -14.208 -7.178 1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -14.186 -7.181 3.609 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -11.396 -5.325 3.464 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -15.233 -4.508 1.992 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.568 -2.795 3.268 1.00 0.00 H new