USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 646 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 72 ASN : amide:sc= -1.03 K(o=-2,f=-0.78!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.01 K(o=-2,f=-9.8!) USER MOD Single : A 10 SER OG : rot -40:sc= -0.0452 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.358 USER MOD Single : A 16 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.16) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 23 ASN : amide:sc= 0.418 K(o=0.42,f=-4!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 121:sc= 0.612 USER MOD Single : A 31 SER OG : rot -23:sc= 0.189 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 130:sc= -0.171 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -147:sc= -0.172 (180deg=-2.37!) USER MOD Single : A 43 LYS NZ :NH3+ -136:sc= 0.158 (180deg=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00501) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 49 LYS NZ :NH3+ -109:sc= 0.704 (180deg=0.0116) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00759 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.7) USER MOD Single : A 66 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.6!) USER MOD Single : A 67 CYS SG : rot 87:sc= -0.0171 USER MOD Single : A 68 THR OG1 : rot -50:sc= -0.0755 USER MOD Single : A 74 LYS NZ :NH3+ -121:sc= 1.22 (180deg=-0.219) USER MOD Single : A 75 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.7!) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0713) USER MOD Single : A 84 SER OG : rot 20:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 184 N SER A 10 -1.296 11.975 1.978 1.00 0.00 N ATOM 185 CA SER A 10 -1.084 10.927 0.986 1.00 0.00 C ATOM 186 C SER A 10 -1.052 9.553 1.646 1.00 0.00 C ATOM 187 O SER A 10 -1.898 8.700 1.376 1.00 0.00 O ATOM 188 CB SER A 10 0.221 11.172 0.226 1.00 0.00 C ATOM 189 OG SER A 10 1.321 11.257 1.115 1.00 0.00 O ATOM 0 HA SER A 10 -1.916 10.953 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.387 10.364 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.143 12.094 -0.350 1.00 0.00 H new ATOM 0 HG SER A 10 1.056 11.755 1.916 1.00 0.00 H new ATOM 195 N THR A 11 -0.067 9.344 2.516 1.00 0.00 N ATOM 196 CA THR A 11 0.078 8.073 3.215 1.00 0.00 C ATOM 197 C THR A 11 -1.282 7.457 3.523 1.00 0.00 C ATOM 198 O THR A 11 -2.239 8.164 3.835 1.00 0.00 O ATOM 199 CB THR A 11 0.862 8.242 4.530 1.00 0.00 C ATOM 200 OG1 THR A 11 2.166 8.767 4.258 1.00 0.00 O ATOM 201 CG2 THR A 11 0.987 6.914 5.260 1.00 0.00 C ATOM 0 H THR A 11 0.641 10.039 2.753 1.00 0.00 H new ATOM 0 HA THR A 11 0.633 7.409 2.552 1.00 0.00 H new ATOM 0 HB THR A 11 0.316 8.938 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.658 8.873 5.099 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.544 7.059 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.007 6.531 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.513 6.199 4.627 1.00 0.00 H new ATOM 209 N VAL A 12 -1.359 6.132 3.434 1.00 0.00 N ATOM 210 CA VAL A 12 -2.602 5.420 3.705 1.00 0.00 C ATOM 211 C VAL A 12 -2.409 4.375 4.798 1.00 0.00 C ATOM 212 O VAL A 12 -1.625 3.438 4.644 1.00 0.00 O ATOM 213 CB VAL A 12 -3.141 4.729 2.438 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.376 3.903 2.765 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.446 5.757 1.360 1.00 0.00 C ATOM 0 H VAL A 12 -0.576 5.531 3.177 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.326 6.163 4.040 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.373 4.055 2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.743 3.422 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.120 3.141 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.152 4.553 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.826 5.251 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.196 6.458 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.535 6.300 1.107 1.00 0.00 H new ATOM 225 N TYR A 13 -3.130 4.541 5.901 1.00 0.00 N ATOM 226 CA TYR A 13 -3.036 3.612 7.022 1.00 0.00 C ATOM 227 C TYR A 13 -3.800 2.325 6.728 1.00 0.00 C ATOM 228 O TYR A 13 -5.031 2.300 6.749 1.00 0.00 O ATOM 229 CB TYR A 13 -3.580 4.261 8.296 1.00 0.00 C ATOM 230 CG TYR A 13 -3.098 3.599 9.567 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.209 2.225 9.742 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.531 4.347 10.591 1.00 0.00 C ATOM 233 CE1 TYR A 13 -2.771 1.616 10.902 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.089 3.746 11.754 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.211 2.380 11.905 1.00 0.00 C ATOM 236 OH TYR A 13 -1.772 1.777 13.061 1.00 0.00 O ATOM 0 H TYR A 13 -3.786 5.309 6.043 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.985 3.364 7.168 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.290 5.311 8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.669 4.232 8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.645 1.623 8.958 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.434 5.416 10.476 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.866 0.547 11.023 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.650 4.342 12.541 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.403 2.456 13.664 1.00 0.00 H new ATOM 246 N VAL A 14 -3.060 1.255 6.454 1.00 0.00 N ATOM 247 CA VAL A 14 -3.666 -0.038 6.157 1.00 0.00 C ATOM 248 C VAL A 14 -3.310 -1.069 7.222 1.00 0.00 C ATOM 249 O VAL A 14 -2.143 -1.228 7.581 1.00 0.00 O ATOM 250 CB VAL A 14 -3.219 -0.563 4.779 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.167 -1.648 4.289 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.136 0.577 3.776 1.00 0.00 C ATOM 0 H VAL A 14 -2.040 1.258 6.432 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.746 0.112 6.148 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.225 -1.000 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.836 -2.007 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.171 -2.475 4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.174 -1.240 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.819 0.188 2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.115 1.045 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.414 1.316 4.124 1.00 0.00 H new ATOM 262 N SER A 15 -4.323 -1.768 7.723 1.00 0.00 N ATOM 263 CA SER A 15 -4.118 -2.782 8.750 1.00 0.00 C ATOM 264 C SER A 15 -4.702 -4.123 8.313 1.00 0.00 C ATOM 265 O SER A 15 -5.446 -4.200 7.337 1.00 0.00 O ATOM 266 CB SER A 15 -4.756 -2.340 10.068 1.00 0.00 C ATOM 267 OG SER A 15 -6.023 -1.743 9.847 1.00 0.00 O ATOM 0 H SER A 15 -5.294 -1.651 7.434 1.00 0.00 H new ATOM 0 HA SER A 15 -3.045 -2.903 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.866 -3.200 10.729 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.100 -1.631 10.574 1.00 0.00 H new ATOM 0 HG SER A 15 -6.410 -1.471 10.705 1.00 0.00 H new ATOM 273 N ASN A 16 -4.359 -5.177 9.046 1.00 0.00 N ATOM 274 CA ASN A 16 -4.848 -6.516 8.735 1.00 0.00 C ATOM 275 C ASN A 16 -4.347 -6.975 7.370 1.00 0.00 C ATOM 276 O ASN A 16 -5.037 -7.702 6.655 1.00 0.00 O ATOM 277 CB ASN A 16 -6.378 -6.542 8.765 1.00 0.00 C ATOM 278 CG ASN A 16 -6.924 -6.878 10.139 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.889 -6.052 11.052 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.431 -8.095 10.293 1.00 0.00 N ATOM 0 H ASN A 16 -3.745 -5.130 9.859 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.464 -7.201 9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.761 -5.571 8.452 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.740 -7.275 8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.812 -8.378 11.196 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.439 -8.747 9.509 1.00 0.00 H new ATOM 287 N LEU A 17 -3.141 -6.546 7.013 1.00 0.00 N ATOM 288 CA LEU A 17 -2.545 -6.913 5.733 1.00 0.00 C ATOM 289 C LEU A 17 -1.770 -8.221 5.849 1.00 0.00 C ATOM 290 O LEU A 17 -1.164 -8.524 6.877 1.00 0.00 O ATOM 291 CB LEU A 17 -1.619 -5.799 5.241 1.00 0.00 C ATOM 292 CG LEU A 17 -2.303 -4.589 4.606 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.331 -3.424 4.493 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.864 -4.951 3.238 1.00 0.00 C ATOM 0 H LEU A 17 -2.557 -5.943 7.592 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.350 -7.052 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.021 -5.452 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.928 -6.224 4.513 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.130 -4.285 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.836 -2.572 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.976 -3.148 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.483 -3.716 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.348 -4.078 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.054 -5.281 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.593 -5.754 3.345 1.00 0.00 H new ATOM 306 N PRO A 18 -1.787 -9.016 4.769 1.00 0.00 N ATOM 307 CA PRO A 18 -1.088 -10.304 4.723 1.00 0.00 C ATOM 308 C PRO A 18 0.428 -10.141 4.700 1.00 0.00 C ATOM 309 O PRO A 18 1.047 -10.148 3.636 1.00 0.00 O ATOM 310 CB PRO A 18 -1.578 -10.928 3.414 1.00 0.00 C ATOM 311 CG PRO A 18 -1.968 -9.767 2.564 1.00 0.00 C ATOM 312 CD PRO A 18 -2.489 -8.719 3.509 1.00 0.00 C ATOM 0 HA PRO A 18 -1.295 -10.911 5.604 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.795 -11.520 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.423 -11.595 3.585 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.114 -9.393 1.999 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.730 -10.053 1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.268 -7.712 3.154 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.571 -8.786 3.626 1.00 0.00 H new ATOM 320 N PHE A 19 1.021 -9.994 5.881 1.00 0.00 N ATOM 321 CA PHE A 19 2.465 -9.828 5.996 1.00 0.00 C ATOM 322 C PHE A 19 3.200 -10.857 5.143 1.00 0.00 C ATOM 323 O PHE A 19 4.318 -10.617 4.687 1.00 0.00 O ATOM 324 CB PHE A 19 2.899 -9.956 7.457 1.00 0.00 C ATOM 325 CG PHE A 19 2.173 -11.037 8.206 1.00 0.00 C ATOM 326 CD1 PHE A 19 0.970 -10.771 8.839 1.00 0.00 C ATOM 327 CD2 PHE A 19 2.694 -12.319 8.276 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.300 -11.764 9.530 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.028 -13.316 8.964 1.00 0.00 C ATOM 330 CZ PHE A 19 0.830 -13.038 9.591 1.00 0.00 C ATOM 0 H PHE A 19 0.523 -9.987 6.771 1.00 0.00 H new ATOM 0 HA PHE A 19 2.722 -8.832 5.634 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.970 -10.156 7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.736 -9.003 7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.551 -9.777 8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.631 -12.542 7.787 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.636 -11.544 10.021 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.444 -14.311 9.011 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.308 -13.816 10.129 1.00 0.00 H new ATOM 340 N SER A 20 2.564 -12.005 4.932 1.00 0.00 N ATOM 341 CA SER A 20 3.159 -13.074 4.138 1.00 0.00 C ATOM 342 C SER A 20 3.778 -12.520 2.858 1.00 0.00 C ATOM 343 O SER A 20 4.741 -13.076 2.329 1.00 0.00 O ATOM 344 CB SER A 20 2.105 -14.128 3.793 1.00 0.00 C ATOM 345 OG SER A 20 1.891 -15.010 4.882 1.00 0.00 O ATOM 0 H SER A 20 1.637 -12.219 5.300 1.00 0.00 H new ATOM 0 HA SER A 20 3.947 -13.538 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.168 -13.637 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.425 -14.695 2.919 1.00 0.00 H new ATOM 0 HG SER A 20 1.212 -15.673 4.637 1.00 0.00 H new ATOM 351 N LEU A 21 3.218 -11.420 2.366 1.00 0.00 N ATOM 352 CA LEU A 21 3.714 -10.789 1.148 1.00 0.00 C ATOM 353 C LEU A 21 4.955 -9.950 1.436 1.00 0.00 C ATOM 354 O LEU A 21 5.457 -9.928 2.560 1.00 0.00 O ATOM 355 CB LEU A 21 2.626 -9.913 0.525 1.00 0.00 C ATOM 356 CG LEU A 21 1.215 -10.502 0.512 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.217 -9.488 -0.025 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.178 -11.779 -0.315 1.00 0.00 C ATOM 0 H LEU A 21 2.421 -10.947 2.792 1.00 0.00 H new ATOM 0 HA LEU A 21 3.985 -11.576 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.598 -8.966 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.913 -9.687 -0.502 1.00 0.00 H new ATOM 0 HG LEU A 21 0.936 -10.748 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.781 -9.926 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.223 -8.601 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.493 -9.210 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.166 -12.184 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.479 -11.558 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.863 -12.510 0.114 1.00 0.00 H new ATOM 370 N THR A 22 5.446 -9.257 0.412 1.00 0.00 N ATOM 371 CA THR A 22 6.627 -8.416 0.555 1.00 0.00 C ATOM 372 C THR A 22 6.368 -7.010 0.026 1.00 0.00 C ATOM 373 O THR A 22 5.451 -6.793 -0.765 1.00 0.00 O ATOM 374 CB THR A 22 7.837 -9.016 -0.186 1.00 0.00 C ATOM 375 OG1 THR A 22 9.015 -8.255 0.103 1.00 0.00 O ATOM 376 CG2 THR A 22 7.596 -9.036 -1.688 1.00 0.00 C ATOM 0 H THR A 22 5.043 -9.262 -0.525 1.00 0.00 H new ATOM 0 HA THR A 22 6.851 -8.365 1.620 1.00 0.00 H new ATOM 0 HB THR A 22 7.974 -10.041 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.780 -8.644 -0.370 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.464 -9.464 -2.190 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.716 -9.640 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.436 -8.018 -2.044 1.00 0.00 H new ATOM 384 N ASN A 23 7.182 -6.057 0.468 1.00 0.00 N ATOM 385 CA ASN A 23 7.040 -4.670 0.039 1.00 0.00 C ATOM 386 C ASN A 23 6.583 -4.595 -1.415 1.00 0.00 C ATOM 387 O ASN A 23 5.627 -3.892 -1.740 1.00 0.00 O ATOM 388 CB ASN A 23 8.365 -3.924 0.207 1.00 0.00 C ATOM 389 CG ASN A 23 8.822 -3.876 1.653 1.00 0.00 C ATOM 390 OD1 ASN A 23 8.937 -4.909 2.313 1.00 0.00 O ATOM 391 ND2 ASN A 23 9.084 -2.673 2.150 1.00 0.00 N ATOM 0 H ASN A 23 7.947 -6.220 1.123 1.00 0.00 H new ATOM 0 HA ASN A 23 6.283 -4.198 0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.131 -4.409 -0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.257 -2.907 -0.171 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.395 -2.577 3.117 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.974 -1.845 1.565 1.00 0.00 H new ATOM 398 N ASN A 24 7.272 -5.326 -2.285 1.00 0.00 N ATOM 399 CA ASN A 24 6.937 -5.342 -3.704 1.00 0.00 C ATOM 400 C ASN A 24 5.463 -5.675 -3.911 1.00 0.00 C ATOM 401 O ASN A 24 4.741 -4.946 -4.592 1.00 0.00 O ATOM 402 CB ASN A 24 7.809 -6.359 -4.444 1.00 0.00 C ATOM 403 CG ASN A 24 7.466 -6.452 -5.918 1.00 0.00 C ATOM 404 OD1 ASN A 24 7.089 -7.514 -6.413 1.00 0.00 O ATOM 405 ND2 ASN A 24 7.595 -5.336 -6.627 1.00 0.00 N ATOM 0 H ASN A 24 8.066 -5.915 -2.032 1.00 0.00 H new ATOM 0 HA ASN A 24 7.127 -4.348 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.857 -6.082 -4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.689 -7.340 -3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.378 -5.337 -7.624 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.911 -4.478 -6.175 1.00 0.00 H new ATOM 412 N ASP A 25 5.022 -6.779 -3.319 1.00 0.00 N ATOM 413 CA ASP A 25 3.633 -7.208 -3.436 1.00 0.00 C ATOM 414 C ASP A 25 2.682 -6.042 -3.183 1.00 0.00 C ATOM 415 O ASP A 25 1.929 -5.638 -4.071 1.00 0.00 O ATOM 416 CB ASP A 25 3.342 -8.342 -2.452 1.00 0.00 C ATOM 417 CG ASP A 25 3.822 -9.687 -2.962 1.00 0.00 C ATOM 418 OD1 ASP A 25 3.469 -10.049 -4.104 1.00 0.00 O ATOM 419 OD2 ASP A 25 4.549 -10.379 -2.218 1.00 0.00 O ATOM 0 H ASP A 25 5.607 -7.394 -2.753 1.00 0.00 H new ATOM 0 HA ASP A 25 3.474 -7.570 -4.452 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.824 -8.125 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.269 -8.390 -2.263 1.00 0.00 H new ATOM 424 N LEU A 26 2.719 -5.507 -1.968 1.00 0.00 N ATOM 425 CA LEU A 26 1.860 -4.389 -1.598 1.00 0.00 C ATOM 426 C LEU A 26 1.972 -3.256 -2.613 1.00 0.00 C ATOM 427 O LEU A 26 0.967 -2.780 -3.141 1.00 0.00 O ATOM 428 CB LEU A 26 2.227 -3.878 -0.203 1.00 0.00 C ATOM 429 CG LEU A 26 2.092 -4.886 0.938 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.694 -4.327 2.218 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.632 -5.257 1.152 1.00 0.00 C ATOM 0 H LEU A 26 3.335 -5.830 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 26 0.829 -4.743 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.257 -3.523 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.598 -3.017 0.024 1.00 0.00 H new ATOM 0 HG LEU A 26 2.640 -5.788 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.589 -5.058 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.751 -4.112 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.175 -3.409 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.555 -5.975 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.062 -4.362 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.232 -5.700 0.240 1.00 0.00 H new ATOM 443 N TYR A 27 3.201 -2.830 -2.883 1.00 0.00 N ATOM 444 CA TYR A 27 3.445 -1.753 -3.835 1.00 0.00 C ATOM 445 C TYR A 27 2.527 -1.879 -5.047 1.00 0.00 C ATOM 446 O TYR A 27 1.961 -0.892 -5.516 1.00 0.00 O ATOM 447 CB TYR A 27 4.907 -1.764 -4.285 1.00 0.00 C ATOM 448 CG TYR A 27 5.245 -0.669 -5.271 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.708 -0.671 -6.552 1.00 0.00 C ATOM 450 CD2 TYR A 27 6.102 0.368 -4.922 1.00 0.00 C ATOM 451 CE1 TYR A 27 5.014 0.327 -7.457 1.00 0.00 C ATOM 452 CE2 TYR A 27 6.412 1.371 -5.820 1.00 0.00 C ATOM 453 CZ TYR A 27 5.866 1.346 -7.086 1.00 0.00 C ATOM 454 OH TYR A 27 6.174 2.342 -7.984 1.00 0.00 O ATOM 0 H TYR A 27 4.044 -3.214 -2.456 1.00 0.00 H new ATOM 0 HA TYR A 27 3.232 -0.807 -3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.549 -1.664 -3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.132 -2.730 -4.736 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.039 -1.467 -6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.533 0.390 -3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.588 0.309 -8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.078 2.171 -5.532 1.00 0.00 H new ATOM 0 HH TYR A 27 5.902 3.209 -7.617 1.00 0.00 H new ATOM 464 N ARG A 28 2.385 -3.102 -5.549 1.00 0.00 N ATOM 465 CA ARG A 28 1.537 -3.359 -6.706 1.00 0.00 C ATOM 466 C ARG A 28 0.072 -3.469 -6.293 1.00 0.00 C ATOM 467 O ARG A 28 -0.796 -2.814 -6.871 1.00 0.00 O ATOM 468 CB ARG A 28 1.977 -4.643 -7.412 1.00 0.00 C ATOM 469 CG ARG A 28 3.258 -4.488 -8.216 1.00 0.00 C ATOM 470 CD ARG A 28 3.791 -5.835 -8.679 1.00 0.00 C ATOM 471 NE ARG A 28 5.065 -5.707 -9.382 1.00 0.00 N ATOM 472 CZ ARG A 28 5.176 -5.248 -10.623 1.00 0.00 C ATOM 473 NH1 ARG A 28 4.095 -4.876 -11.295 1.00 0.00 N ATOM 474 NH2 ARG A 28 6.370 -5.161 -11.195 1.00 0.00 N ATOM 0 H ARG A 28 2.847 -3.930 -5.172 1.00 0.00 H new ATOM 0 HA ARG A 28 1.640 -2.520 -7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.118 -5.427 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.179 -4.974 -8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.071 -3.852 -9.082 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.012 -3.986 -7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.917 -6.491 -7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.061 -6.308 -9.336 1.00 0.00 H new ATOM 0 HE ARG A 28 5.916 -5.985 -8.893 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.175 -4.942 -10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.183 -4.524 -12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.204 -5.447 -10.681 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.454 -4.808 -12.148 1.00 0.00 H new ATOM 488 N ILE A 29 -0.194 -4.301 -5.292 1.00 0.00 N ATOM 489 CA ILE A 29 -1.553 -4.496 -4.803 1.00 0.00 C ATOM 490 C ILE A 29 -2.272 -3.162 -4.631 1.00 0.00 C ATOM 491 O ILE A 29 -3.475 -3.057 -4.873 1.00 0.00 O ATOM 492 CB ILE A 29 -1.565 -5.249 -3.459 1.00 0.00 C ATOM 493 CG1 ILE A 29 -1.177 -6.714 -3.668 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.935 -5.145 -2.806 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.735 -7.409 -2.399 1.00 0.00 C ATOM 0 H ILE A 29 0.513 -4.851 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.074 -5.094 -5.550 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.833 -4.790 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.028 -7.250 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.372 -6.767 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.928 -5.682 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.174 -4.097 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.686 -5.582 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.475 -8.444 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.135 -6.897 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.546 -7.388 -1.671 1.00 0.00 H new ATOM 507 N PHE A 30 -1.527 -2.143 -4.215 1.00 0.00 N ATOM 508 CA PHE A 30 -2.093 -0.815 -4.012 1.00 0.00 C ATOM 509 C PHE A 30 -1.976 0.025 -5.280 1.00 0.00 C ATOM 510 O PHE A 30 -2.647 1.047 -5.425 1.00 0.00 O ATOM 511 CB PHE A 30 -1.388 -0.109 -2.852 1.00 0.00 C ATOM 512 CG PHE A 30 -1.668 -0.728 -1.513 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.884 -0.523 -0.881 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.717 -1.517 -0.887 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.144 -1.091 0.351 1.00 0.00 C ATOM 516 CE2 PHE A 30 -0.972 -2.089 0.345 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.188 -1.876 0.965 1.00 0.00 C ATOM 0 H PHE A 30 -0.530 -2.212 -4.012 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.149 -0.930 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.313 -0.120 -3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.697 0.936 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.637 0.088 -1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.235 -1.687 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.095 -0.921 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.222 -2.702 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.390 -2.322 1.927 1.00 0.00 H new ATOM 527 N SER A 31 -1.119 -0.413 -6.197 1.00 0.00 N ATOM 528 CA SER A 31 -0.911 0.300 -7.452 1.00 0.00 C ATOM 529 C SER A 31 -2.159 0.237 -8.327 1.00 0.00 C ATOM 530 O SER A 31 -2.282 0.970 -9.308 1.00 0.00 O ATOM 531 CB SER A 31 0.284 -0.288 -8.205 1.00 0.00 C ATOM 532 OG SER A 31 0.497 0.388 -9.431 1.00 0.00 O ATOM 0 H SER A 31 -0.557 -1.258 -6.094 1.00 0.00 H new ATOM 0 HA SER A 31 -0.706 1.345 -7.218 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.179 -0.216 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.112 -1.347 -8.395 1.00 0.00 H new ATOM 0 HG SER A 31 -0.338 0.812 -9.720 1.00 0.00 H new ATOM 538 N LYS A 32 -3.083 -0.646 -7.964 1.00 0.00 N ATOM 539 CA LYS A 32 -4.324 -0.807 -8.714 1.00 0.00 C ATOM 540 C LYS A 32 -5.216 0.421 -8.559 1.00 0.00 C ATOM 541 O LYS A 32 -6.074 0.686 -9.401 1.00 0.00 O ATOM 542 CB LYS A 32 -5.071 -2.056 -8.241 1.00 0.00 C ATOM 543 CG LYS A 32 -5.958 -1.813 -7.032 1.00 0.00 C ATOM 544 CD LYS A 32 -6.807 -3.031 -6.709 1.00 0.00 C ATOM 545 CE LYS A 32 -8.113 -3.023 -7.488 1.00 0.00 C ATOM 546 NZ LYS A 32 -8.858 -4.304 -7.336 1.00 0.00 N ATOM 0 H LYS A 32 -2.996 -1.261 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.071 -0.920 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.683 -2.435 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.346 -2.833 -7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.339 -1.561 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.606 -0.957 -7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.248 -3.937 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.020 -3.054 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.736 -2.198 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.905 -2.847 -8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.742 -4.258 -7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.274 -5.089 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.079 -4.460 -6.332 1.00 0.00 H new ATOM 560 N TYR A 33 -5.006 1.167 -7.481 1.00 0.00 N ATOM 561 CA TYR A 33 -5.791 2.366 -7.216 1.00 0.00 C ATOM 562 C TYR A 33 -5.023 3.621 -7.619 1.00 0.00 C ATOM 563 O TYR A 33 -5.516 4.444 -8.389 1.00 0.00 O ATOM 564 CB TYR A 33 -6.167 2.439 -5.735 1.00 0.00 C ATOM 565 CG TYR A 33 -6.926 1.227 -5.243 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.179 0.912 -5.755 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.390 0.397 -4.267 1.00 0.00 C ATOM 568 CE1 TYR A 33 -8.876 -0.194 -5.308 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.080 -0.712 -3.814 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.322 -1.002 -4.338 1.00 0.00 C ATOM 571 OH TYR A 33 -9.013 -2.105 -3.891 1.00 0.00 O ATOM 0 H TYR A 33 -4.298 0.962 -6.776 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.701 2.311 -7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.259 2.553 -5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.772 3.330 -5.566 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.615 1.543 -6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.417 0.622 -3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.849 -0.424 -5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.649 -1.347 -3.054 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.428 -2.891 -3.917 1.00 0.00 H new ATOM 581 N GLY A 34 -3.810 3.759 -7.093 1.00 0.00 N ATOM 582 CA GLY A 34 -2.991 4.915 -7.408 1.00 0.00 C ATOM 583 C GLY A 34 -1.511 4.588 -7.431 1.00 0.00 C ATOM 584 O GLY A 34 -1.088 3.553 -6.915 1.00 0.00 O ATOM 0 H GLY A 34 -3.380 3.091 -6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.287 5.313 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.176 5.698 -6.673 1.00 0.00 H new ATOM 588 N LYS A 35 -0.721 5.471 -8.031 1.00 0.00 N ATOM 589 CA LYS A 35 0.721 5.273 -8.120 1.00 0.00 C ATOM 590 C LYS A 35 1.363 5.317 -6.737 1.00 0.00 C ATOM 591 O LYS A 35 1.051 6.188 -5.925 1.00 0.00 O ATOM 592 CB LYS A 35 1.349 6.339 -9.020 1.00 0.00 C ATOM 593 CG LYS A 35 2.826 6.112 -9.294 1.00 0.00 C ATOM 594 CD LYS A 35 3.036 5.190 -10.484 1.00 0.00 C ATOM 595 CE LYS A 35 4.513 4.910 -10.717 1.00 0.00 C ATOM 596 NZ LYS A 35 5.213 6.083 -11.311 1.00 0.00 N ATOM 0 H LYS A 35 -1.055 6.332 -8.464 1.00 0.00 H new ATOM 0 HA LYS A 35 0.901 4.289 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.812 6.364 -9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.221 7.316 -8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.313 7.068 -9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.299 5.682 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.508 4.251 -10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.605 5.642 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.986 4.645 -9.771 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.620 4.050 -11.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.217 5.852 -11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.778 6.320 -12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.133 6.897 -10.668 1.00 0.00 H new ATOM 610 N VAL A 36 2.262 4.374 -6.476 1.00 0.00 N ATOM 611 CA VAL A 36 2.950 4.307 -5.192 1.00 0.00 C ATOM 612 C VAL A 36 4.402 4.751 -5.323 1.00 0.00 C ATOM 613 O VAL A 36 5.087 4.396 -6.282 1.00 0.00 O ATOM 614 CB VAL A 36 2.910 2.883 -4.608 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.630 2.835 -3.268 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.473 2.404 -4.467 1.00 0.00 C ATOM 0 H VAL A 36 2.531 3.645 -7.137 1.00 0.00 H new ATOM 0 HA VAL A 36 2.426 4.983 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 36 3.426 2.213 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.591 1.821 -2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.670 3.133 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.145 3.517 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.465 1.396 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.930 3.074 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.994 2.398 -5.446 1.00 0.00 H new ATOM 626 N VAL A 37 4.867 5.530 -4.351 1.00 0.00 N ATOM 627 CA VAL A 37 6.239 6.022 -4.356 1.00 0.00 C ATOM 628 C VAL A 37 7.107 5.241 -3.375 1.00 0.00 C ATOM 629 O VAL A 37 8.233 4.859 -3.692 1.00 0.00 O ATOM 630 CB VAL A 37 6.300 7.519 -4.000 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.739 8.014 -4.016 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.439 8.329 -4.957 1.00 0.00 C ATOM 0 H VAL A 37 4.313 5.834 -3.550 1.00 0.00 H new ATOM 0 HA VAL A 37 6.622 5.881 -5.367 1.00 0.00 H new ATOM 0 HB VAL A 37 5.907 7.651 -2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.762 9.074 -3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.325 7.453 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.162 7.870 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.494 9.385 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.801 8.192 -5.976 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.405 7.991 -4.891 1.00 0.00 H new ATOM 642 N LYS A 38 6.574 5.008 -2.180 1.00 0.00 N ATOM 643 CA LYS A 38 7.298 4.271 -1.150 1.00 0.00 C ATOM 644 C LYS A 38 6.343 3.421 -0.317 1.00 0.00 C ATOM 645 O LYS A 38 5.199 3.808 -0.080 1.00 0.00 O ATOM 646 CB LYS A 38 8.061 5.238 -0.243 1.00 0.00 C ATOM 647 CG LYS A 38 9.262 5.882 -0.913 1.00 0.00 C ATOM 648 CD LYS A 38 10.519 5.048 -0.724 1.00 0.00 C ATOM 649 CE LYS A 38 11.767 5.917 -0.716 1.00 0.00 C ATOM 650 NZ LYS A 38 12.874 5.290 0.058 1.00 0.00 N ATOM 0 H LYS A 38 5.643 5.319 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 38 8.009 3.609 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.381 6.020 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.395 4.702 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.063 6.006 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.420 6.878 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.453 4.495 0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.592 4.311 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.094 6.092 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.529 6.890 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.707 5.913 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.571 5.146 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.118 4.373 -0.367 1.00 0.00 H new ATOM 664 N VAL A 39 6.822 2.263 0.126 1.00 0.00 N ATOM 665 CA VAL A 39 6.012 1.360 0.935 1.00 0.00 C ATOM 666 C VAL A 39 6.556 1.258 2.355 1.00 0.00 C ATOM 667 O VAL A 39 7.671 0.784 2.573 1.00 0.00 O ATOM 668 CB VAL A 39 5.955 -0.049 0.316 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.207 -1.005 1.233 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.307 -0.001 -1.059 1.00 0.00 C ATOM 0 H VAL A 39 7.767 1.928 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 39 5.005 1.777 0.964 1.00 0.00 H new ATOM 0 HB VAL A 39 6.974 -0.417 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.177 -1.996 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.718 -1.062 2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.190 -0.644 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.275 -1.005 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.293 0.388 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.888 0.649 -1.713 1.00 0.00 H new ATOM 680 N THR A 40 5.760 1.706 3.322 1.00 0.00 N ATOM 681 CA THR A 40 6.161 1.666 4.722 1.00 0.00 C ATOM 682 C THR A 40 5.412 0.574 5.478 1.00 0.00 C ATOM 683 O THR A 40 4.239 0.314 5.209 1.00 0.00 O ATOM 684 CB THR A 40 5.913 3.018 5.417 1.00 0.00 C ATOM 685 OG1 THR A 40 6.696 4.041 4.791 1.00 0.00 O ATOM 686 CG2 THR A 40 6.261 2.939 6.895 1.00 0.00 C ATOM 0 H THR A 40 4.834 2.101 3.160 1.00 0.00 H new ATOM 0 HA THR A 40 7.229 1.448 4.738 1.00 0.00 H new ATOM 0 HB THR A 40 4.855 3.261 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.532 4.898 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.078 3.906 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.643 2.180 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.312 2.675 7.008 1.00 0.00 H new ATOM 694 N ILE A 41 6.096 -0.061 6.423 1.00 0.00 N ATOM 695 CA ILE A 41 5.494 -1.123 7.218 1.00 0.00 C ATOM 696 C ILE A 41 5.859 -0.981 8.692 1.00 0.00 C ATOM 697 O ILE A 41 7.000 -0.669 9.032 1.00 0.00 O ATOM 698 CB ILE A 41 5.932 -2.514 6.724 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.586 -2.686 5.243 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.274 -3.604 7.557 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.349 -3.805 4.570 1.00 0.00 C ATOM 0 H ILE A 41 7.068 0.142 6.657 1.00 0.00 H new ATOM 0 HA ILE A 41 4.414 -1.029 7.103 1.00 0.00 H new ATOM 0 HB ILE A 41 7.013 -2.600 6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.517 -2.878 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.790 -1.752 4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.594 -4.581 7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.566 -3.490 8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.190 -3.522 7.472 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.053 -3.869 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.419 -3.605 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.126 -4.748 5.068 1.00 0.00 H new ATOM 713 N MET A 42 4.883 -1.215 9.563 1.00 0.00 N ATOM 714 CA MET A 42 5.103 -1.116 11.001 1.00 0.00 C ATOM 715 C MET A 42 5.697 -2.410 11.551 1.00 0.00 C ATOM 716 O MET A 42 5.569 -3.472 10.941 1.00 0.00 O ATOM 717 CB MET A 42 3.790 -0.799 11.719 1.00 0.00 C ATOM 718 CG MET A 42 3.281 0.610 11.460 1.00 0.00 C ATOM 719 SD MET A 42 4.256 1.867 12.309 1.00 0.00 S ATOM 720 CE MET A 42 4.296 3.158 11.068 1.00 0.00 C ATOM 0 H MET A 42 3.933 -1.474 9.298 1.00 0.00 H new ATOM 0 HA MET A 42 5.811 -0.307 11.180 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.031 -1.515 11.403 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.930 -0.935 12.791 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.296 0.806 10.388 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.242 0.682 11.782 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.243 3.693 11.130 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.194 2.714 10.078 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.474 3.853 11.240 1.00 0.00 H new ATOM 730 N LYS A 43 6.347 -2.313 12.705 1.00 0.00 N ATOM 731 CA LYS A 43 6.959 -3.475 13.338 1.00 0.00 C ATOM 732 C LYS A 43 6.874 -3.376 14.858 1.00 0.00 C ATOM 733 O LYS A 43 7.030 -2.296 15.428 1.00 0.00 O ATOM 734 CB LYS A 43 8.422 -3.604 12.907 1.00 0.00 C ATOM 735 CG LYS A 43 8.597 -4.214 11.527 1.00 0.00 C ATOM 736 CD LYS A 43 8.614 -3.148 10.444 1.00 0.00 C ATOM 737 CE LYS A 43 9.354 -3.625 9.204 1.00 0.00 C ATOM 738 NZ LYS A 43 9.308 -2.617 8.108 1.00 0.00 N ATOM 0 H LYS A 43 6.464 -1.441 13.221 1.00 0.00 H new ATOM 0 HA LYS A 43 6.411 -4.362 13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.885 -2.617 12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.954 -4.215 13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.527 -4.782 11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.787 -4.917 11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.591 -2.881 10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.089 -2.245 10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.392 -3.836 9.460 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.915 -4.560 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.102 -3.093 7.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.564 -1.919 8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.227 -2.134 8.042 1.00 0.00 H new ATOM 752 N ASP A 44 6.626 -4.508 15.507 1.00 0.00 N ATOM 753 CA ASP A 44 6.522 -4.549 16.961 1.00 0.00 C ATOM 754 C ASP A 44 7.905 -4.608 17.603 1.00 0.00 C ATOM 755 O ASP A 44 8.915 -4.750 16.915 1.00 0.00 O ATOM 756 CB ASP A 44 5.690 -5.754 17.401 1.00 0.00 C ATOM 757 CG ASP A 44 5.223 -5.642 18.839 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.127 -5.087 19.064 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.953 -6.107 19.739 1.00 0.00 O ATOM 0 H ASP A 44 6.493 -5.410 15.049 1.00 0.00 H new ATOM 0 HA ASP A 44 6.026 -3.636 17.291 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.823 -5.851 16.747 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.281 -6.662 17.284 1.00 0.00 H new ATOM 764 N LYS A 45 7.942 -4.496 18.927 1.00 0.00 N ATOM 765 CA LYS A 45 9.200 -4.537 19.663 1.00 0.00 C ATOM 766 C LYS A 45 9.504 -5.953 20.142 1.00 0.00 C ATOM 767 O LYS A 45 10.592 -6.478 19.905 1.00 0.00 O ATOM 768 CB LYS A 45 9.146 -3.583 20.859 1.00 0.00 C ATOM 769 CG LYS A 45 9.569 -2.163 20.524 1.00 0.00 C ATOM 770 CD LYS A 45 10.136 -1.449 21.740 1.00 0.00 C ATOM 771 CE LYS A 45 9.047 -0.727 22.519 1.00 0.00 C ATOM 772 NZ LYS A 45 8.650 0.550 21.865 1.00 0.00 N ATOM 0 H LYS A 45 7.115 -4.376 19.512 1.00 0.00 H new ATOM 0 HA LYS A 45 9.997 -4.221 18.990 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.130 -3.567 21.255 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.790 -3.968 21.650 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.316 -2.182 19.731 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.713 -1.608 20.141 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.632 -2.171 22.389 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.894 -0.733 21.422 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.175 -1.375 22.609 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.399 -0.523 23.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.956 1.044 22.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.489 1.152 21.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.228 0.348 20.936 1.00 0.00 H new ATOM 786 N ASP A 46 8.537 -6.565 20.815 1.00 0.00 N ATOM 787 CA ASP A 46 8.700 -7.922 21.325 1.00 0.00 C ATOM 788 C ASP A 46 8.609 -8.942 20.195 1.00 0.00 C ATOM 789 O ASP A 46 9.616 -9.515 19.778 1.00 0.00 O ATOM 790 CB ASP A 46 7.641 -8.222 22.386 1.00 0.00 C ATOM 791 CG ASP A 46 7.772 -7.329 23.604 1.00 0.00 C ATOM 792 OD1 ASP A 46 8.901 -6.878 23.890 1.00 0.00 O ATOM 793 OD2 ASP A 46 6.746 -7.082 24.273 1.00 0.00 O ATOM 0 H ASP A 46 7.631 -6.143 21.021 1.00 0.00 H new ATOM 0 HA ASP A 46 9.688 -7.996 21.779 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.649 -8.095 21.951 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.724 -9.265 22.693 1.00 0.00 H new ATOM 798 N THR A 47 7.395 -9.165 19.702 1.00 0.00 N ATOM 799 CA THR A 47 7.171 -10.118 18.622 1.00 0.00 C ATOM 800 C THR A 47 8.067 -9.813 17.426 1.00 0.00 C ATOM 801 O THR A 47 8.626 -10.720 16.811 1.00 0.00 O ATOM 802 CB THR A 47 5.701 -10.111 18.163 1.00 0.00 C ATOM 803 OG1 THR A 47 5.325 -8.796 17.740 1.00 0.00 O ATOM 804 CG2 THR A 47 4.782 -10.571 19.284 1.00 0.00 C ATOM 0 H THR A 47 6.551 -8.698 20.034 1.00 0.00 H new ATOM 0 HA THR A 47 7.416 -11.105 19.014 1.00 0.00 H new ATOM 0 HB THR A 47 5.602 -10.803 17.326 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.389 -8.801 17.448 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.749 -10.558 18.936 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.051 -11.584 19.583 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.886 -9.901 20.138 1.00 0.00 H new ATOM 812 N ARG A 48 8.198 -8.530 17.103 1.00 0.00 N ATOM 813 CA ARG A 48 9.025 -8.107 15.980 1.00 0.00 C ATOM 814 C ARG A 48 8.404 -8.536 14.654 1.00 0.00 C ATOM 815 O ARG A 48 9.090 -9.056 13.774 1.00 0.00 O ATOM 816 CB ARG A 48 10.434 -8.690 16.108 1.00 0.00 C ATOM 817 CG ARG A 48 11.509 -7.834 15.459 1.00 0.00 C ATOM 818 CD ARG A 48 12.887 -8.152 16.018 1.00 0.00 C ATOM 819 NE ARG A 48 12.968 -7.894 17.453 1.00 0.00 N ATOM 820 CZ ARG A 48 14.077 -8.050 18.166 1.00 0.00 C ATOM 821 NH1 ARG A 48 15.194 -8.460 17.580 1.00 0.00 N ATOM 822 NH2 ARG A 48 14.072 -7.796 19.469 1.00 0.00 N ATOM 0 H ARG A 48 7.742 -7.767 17.603 1.00 0.00 H new ATOM 0 HA ARG A 48 9.086 -7.019 15.997 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.671 -8.817 17.164 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.450 -9.682 15.657 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.505 -7.999 14.381 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.284 -6.780 15.621 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.125 -9.198 15.824 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.636 -7.553 15.499 1.00 0.00 H new ATOM 0 HE ARG A 48 12.126 -7.577 17.934 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.202 -8.656 16.579 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.045 -8.579 18.130 1.00 0.00 H new ATOM 0 HH21 ARG A 48 13.215 -7.481 19.924 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.925 -7.916 20.015 1.00 0.00 H new ATOM 836 N LYS A 49 7.101 -8.314 14.518 1.00 0.00 N ATOM 837 CA LYS A 49 6.385 -8.677 13.301 1.00 0.00 C ATOM 838 C LYS A 49 5.605 -7.486 12.753 1.00 0.00 C ATOM 839 O LYS A 49 5.373 -6.506 13.460 1.00 0.00 O ATOM 840 CB LYS A 49 5.432 -9.843 13.572 1.00 0.00 C ATOM 841 CG LYS A 49 6.057 -10.961 14.390 1.00 0.00 C ATOM 842 CD LYS A 49 7.029 -11.782 13.559 1.00 0.00 C ATOM 843 CE LYS A 49 7.185 -13.190 14.115 1.00 0.00 C ATOM 844 NZ LYS A 49 7.969 -13.203 15.380 1.00 0.00 N ATOM 0 H LYS A 49 6.519 -7.884 15.237 1.00 0.00 H new ATOM 0 HA LYS A 49 7.119 -8.983 12.556 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.553 -9.469 14.096 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.088 -10.249 12.621 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.578 -10.538 15.249 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.273 -11.609 14.781 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.676 -11.833 12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.000 -11.288 13.539 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.200 -13.621 14.294 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.679 -13.820 13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.902 -13.628 15.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.091 -12.229 15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.462 -13.761 16.097 1.00 0.00 H new ATOM 858 N SER A 50 5.201 -7.579 11.490 1.00 0.00 N ATOM 859 CA SER A 50 4.449 -6.508 10.847 1.00 0.00 C ATOM 860 C SER A 50 3.055 -6.383 11.455 1.00 0.00 C ATOM 861 O SER A 50 2.595 -5.283 11.763 1.00 0.00 O ATOM 862 CB SER A 50 4.341 -6.764 9.343 1.00 0.00 C ATOM 863 OG SER A 50 3.150 -6.205 8.815 1.00 0.00 O ATOM 0 H SER A 50 5.382 -8.385 10.892 1.00 0.00 H new ATOM 0 HA SER A 50 4.983 -5.572 11.011 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.204 -6.335 8.835 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.359 -7.837 9.151 1.00 0.00 H new ATOM 0 HG SER A 50 3.105 -6.381 7.852 1.00 0.00 H new ATOM 869 N LYS A 51 2.387 -7.519 11.626 1.00 0.00 N ATOM 870 CA LYS A 51 1.046 -7.540 12.197 1.00 0.00 C ATOM 871 C LYS A 51 0.039 -6.897 11.248 1.00 0.00 C ATOM 872 O LYS A 51 -1.004 -6.404 11.675 1.00 0.00 O ATOM 873 CB LYS A 51 1.031 -6.811 13.543 1.00 0.00 C ATOM 874 CG LYS A 51 2.228 -7.132 14.421 1.00 0.00 C ATOM 875 CD LYS A 51 2.318 -6.186 15.607 1.00 0.00 C ATOM 876 CE LYS A 51 2.907 -4.843 15.206 1.00 0.00 C ATOM 877 NZ LYS A 51 2.545 -3.768 16.170 1.00 0.00 N ATOM 0 H LYS A 51 2.753 -8.438 11.377 1.00 0.00 H new ATOM 0 HA LYS A 51 0.761 -8.581 12.350 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.000 -5.736 13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.118 -7.072 14.078 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.154 -8.159 14.778 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.142 -7.065 13.831 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.325 -6.037 16.031 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.933 -6.636 16.387 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.992 -4.926 15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.552 -4.573 14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.966 -2.868 15.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.510 -3.671 16.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.906 -4.013 17.114 1.00 0.00 H new ATOM 891 N GLY A 52 0.360 -6.908 9.958 1.00 0.00 N ATOM 892 CA GLY A 52 -0.528 -6.324 8.969 1.00 0.00 C ATOM 893 C GLY A 52 -0.409 -4.814 8.903 1.00 0.00 C ATOM 894 O GLY A 52 -0.484 -4.224 7.825 1.00 0.00 O ATOM 0 H GLY A 52 1.218 -7.310 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.304 -6.746 7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.557 -6.594 9.205 1.00 0.00 H new ATOM 898 N VAL A 53 -0.226 -4.185 10.060 1.00 0.00 N ATOM 899 CA VAL A 53 -0.098 -2.735 10.130 1.00 0.00 C ATOM 900 C VAL A 53 0.980 -2.232 9.177 1.00 0.00 C ATOM 901 O VAL A 53 2.173 -2.335 9.462 1.00 0.00 O ATOM 902 CB VAL A 53 0.237 -2.269 11.559 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.081 -0.791 11.728 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.517 -3.105 12.582 1.00 0.00 C ATOM 0 H VAL A 53 -0.163 -4.658 10.962 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.061 -2.318 9.837 1.00 0.00 H new ATOM 0 HB VAL A 53 1.305 -2.407 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.162 -0.480 12.744 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.508 -0.209 11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.142 -0.623 11.542 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.268 -2.762 13.586 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.590 -3.001 12.418 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.234 -4.152 12.476 1.00 0.00 H new ATOM 914 N ALA A 54 0.552 -1.685 8.043 1.00 0.00 N ATOM 915 CA ALA A 54 1.481 -1.163 7.049 1.00 0.00 C ATOM 916 C ALA A 54 0.997 0.171 6.492 1.00 0.00 C ATOM 917 O ALA A 54 -0.203 0.384 6.318 1.00 0.00 O ATOM 918 CB ALA A 54 1.670 -2.170 5.923 1.00 0.00 C ATOM 0 H ALA A 54 -0.432 -1.592 7.791 1.00 0.00 H new ATOM 0 HA ALA A 54 2.441 -0.996 7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.366 -1.767 5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.069 -3.099 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.710 -2.365 5.445 1.00 0.00 H new ATOM 924 N PHE A 55 1.938 1.068 6.215 1.00 0.00 N ATOM 925 CA PHE A 55 1.606 2.383 5.680 1.00 0.00 C ATOM 926 C PHE A 55 2.004 2.489 4.211 1.00 0.00 C ATOM 927 O PHE A 55 3.151 2.226 3.847 1.00 0.00 O ATOM 928 CB PHE A 55 2.306 3.478 6.489 1.00 0.00 C ATOM 929 CG PHE A 55 1.708 3.691 7.851 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.622 2.645 8.755 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.232 4.937 8.225 1.00 0.00 C ATOM 932 CE1 PHE A 55 1.073 2.839 10.009 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.683 5.137 9.478 1.00 0.00 C ATOM 934 CZ PHE A 55 0.602 4.086 10.370 1.00 0.00 C ATOM 0 H PHE A 55 2.936 0.908 6.352 1.00 0.00 H new ATOM 0 HA PHE A 55 0.527 2.517 5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.359 3.220 6.599 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.264 4.414 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.988 1.667 8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.290 5.762 7.530 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.013 2.016 10.706 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.318 6.114 9.759 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.171 4.239 11.348 1.00 0.00 H new ATOM 944 N ILE A 56 1.049 2.873 3.371 1.00 0.00 N ATOM 945 CA ILE A 56 1.299 3.014 1.942 1.00 0.00 C ATOM 946 C ILE A 56 1.411 4.482 1.546 1.00 0.00 C ATOM 947 O ILE A 56 0.488 5.268 1.763 1.00 0.00 O ATOM 948 CB ILE A 56 0.186 2.352 1.108 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.075 0.866 1.455 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.457 2.536 -0.377 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.346 0.088 1.195 1.00 0.00 C ATOM 0 H ILE A 56 0.094 3.092 3.656 1.00 0.00 H new ATOM 0 HA ILE A 56 2.244 2.512 1.736 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.762 2.833 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.194 0.766 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.736 0.425 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.338 2.063 -0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.491 3.600 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.412 2.077 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.194 -0.957 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.605 0.157 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.156 0.503 1.795 1.00 0.00 H new ATOM 963 N LEU A 57 2.548 4.846 0.961 1.00 0.00 N ATOM 964 CA LEU A 57 2.781 6.220 0.531 1.00 0.00 C ATOM 965 C LEU A 57 2.393 6.406 -0.932 1.00 0.00 C ATOM 966 O LEU A 57 2.967 5.777 -1.822 1.00 0.00 O ATOM 967 CB LEU A 57 4.250 6.596 0.734 1.00 0.00 C ATOM 968 CG LEU A 57 4.561 8.093 0.766 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.961 8.335 1.309 1.00 0.00 C ATOM 970 CD2 LEU A 57 4.413 8.699 -0.622 1.00 0.00 C ATOM 0 H LEU A 57 3.322 4.209 0.774 1.00 0.00 H new ATOM 0 HA LEU A 57 2.157 6.876 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.591 6.154 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.835 6.141 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 57 3.846 8.579 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.165 9.406 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.032 7.937 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.690 7.836 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.638 9.765 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.104 8.209 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.391 8.558 -0.974 1.00 0.00 H new ATOM 982 N PHE A 58 1.418 7.275 -1.175 1.00 0.00 N ATOM 983 CA PHE A 58 0.954 7.545 -2.531 1.00 0.00 C ATOM 984 C PHE A 58 1.549 8.847 -3.060 1.00 0.00 C ATOM 985 O PHE A 58 2.200 9.590 -2.324 1.00 0.00 O ATOM 986 CB PHE A 58 -0.574 7.618 -2.565 1.00 0.00 C ATOM 987 CG PHE A 58 -1.241 6.281 -2.416 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.240 5.624 -1.197 1.00 0.00 C ATOM 989 CD2 PHE A 58 -1.871 5.682 -3.495 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.853 4.393 -1.057 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.486 4.452 -3.362 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.478 3.807 -2.141 1.00 0.00 C ATOM 0 H PHE A 58 0.933 7.805 -0.450 1.00 0.00 H new ATOM 0 HA PHE A 58 1.286 6.728 -3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.916 8.277 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.887 8.069 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.755 6.079 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.881 6.183 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.843 3.890 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -2.972 3.996 -4.212 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.959 2.846 -2.034 1.00 0.00 H new ATOM 1002 N LEU A 59 1.322 9.117 -4.340 1.00 0.00 N ATOM 1003 CA LEU A 59 1.835 10.328 -4.970 1.00 0.00 C ATOM 1004 C LEU A 59 0.871 11.494 -4.775 1.00 0.00 C ATOM 1005 O LEU A 59 1.276 12.590 -4.389 1.00 0.00 O ATOM 1006 CB LEU A 59 2.071 10.091 -6.462 1.00 0.00 C ATOM 1007 CG LEU A 59 2.749 11.230 -7.225 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.161 11.453 -6.706 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.767 10.936 -8.718 1.00 0.00 C ATOM 0 H LEU A 59 0.785 8.513 -4.963 1.00 0.00 H new ATOM 0 HA LEU A 59 2.783 10.581 -4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.678 9.193 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.110 9.887 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 59 2.176 12.143 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.628 12.267 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.123 11.710 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.745 10.542 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.253 11.757 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.316 10.012 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.745 10.828 -9.080 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.407 11.248 -5.043 1.00 0.00 N ATOM 1022 CA ASP A 60 -1.431 12.276 -4.894 1.00 0.00 C ATOM 1023 C ASP A 60 -2.512 11.828 -3.915 1.00 0.00 C ATOM 1024 O ASP A 60 -3.130 10.778 -4.093 1.00 0.00 O ATOM 1025 CB ASP A 60 -2.057 12.603 -6.251 1.00 0.00 C ATOM 1026 CG ASP A 60 -3.406 13.281 -6.117 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -3.619 13.985 -5.108 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -4.250 13.109 -7.022 1.00 0.00 O ATOM 0 H ASP A 60 -0.758 10.346 -5.364 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.956 13.173 -4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.383 13.250 -6.813 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.171 11.684 -6.826 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.735 12.631 -2.880 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.742 12.319 -1.872 1.00 0.00 C ATOM 1035 C LYS A 61 -5.034 11.839 -2.524 1.00 0.00 C ATOM 1036 O LYS A 61 -5.597 10.817 -2.130 1.00 0.00 O ATOM 1037 CB LYS A 61 -4.022 13.548 -1.005 1.00 0.00 C ATOM 1038 CG LYS A 61 -5.201 13.372 -0.063 1.00 0.00 C ATOM 1039 CD LYS A 61 -5.896 14.694 0.213 1.00 0.00 C ATOM 1040 CE LYS A 61 -5.203 15.468 1.324 1.00 0.00 C ATOM 1041 NZ LYS A 61 -5.443 16.933 1.214 1.00 0.00 N ATOM 0 H LYS A 61 -2.232 13.503 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.354 11.518 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.132 13.780 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.210 14.404 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.913 12.669 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.856 12.938 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.910 15.295 -0.696 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.934 14.510 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.560 15.113 2.291 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.131 15.272 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.954 17.424 1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.079 17.277 0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.464 17.123 1.273 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.498 12.580 -3.524 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.723 12.227 -4.233 1.00 0.00 C ATOM 1057 C ASP A 62 -6.723 10.751 -4.616 1.00 0.00 C ATOM 1058 O ASP A 62 -7.741 10.068 -4.497 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.880 13.092 -5.485 1.00 0.00 C ATOM 1060 CG ASP A 62 -6.440 14.525 -5.257 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -6.867 15.123 -4.247 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -5.671 15.049 -6.090 1.00 0.00 O ATOM 0 H ASP A 62 -5.045 13.429 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.565 12.410 -3.566 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.295 12.660 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.923 13.081 -5.802 1.00 0.00 H new ATOM 1067 N SER A 63 -5.576 10.264 -5.079 1.00 0.00 N ATOM 1068 CA SER A 63 -5.445 8.870 -5.484 1.00 0.00 C ATOM 1069 C SER A 63 -5.522 7.943 -4.275 1.00 0.00 C ATOM 1070 O SER A 63 -6.122 6.870 -4.338 1.00 0.00 O ATOM 1071 CB SER A 63 -4.123 8.653 -6.224 1.00 0.00 C ATOM 1072 OG SER A 63 -4.240 9.008 -7.591 1.00 0.00 O ATOM 0 H SER A 63 -4.724 10.815 -5.183 1.00 0.00 H new ATOM 0 HA SER A 63 -6.271 8.634 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.339 9.248 -5.756 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.823 7.608 -6.141 1.00 0.00 H new ATOM 0 HG SER A 63 -3.382 8.862 -8.041 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.909 8.365 -3.174 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.909 7.574 -1.949 1.00 0.00 C ATOM 1080 C ALA A 64 -6.330 7.333 -1.452 1.00 0.00 C ATOM 1081 O ALA A 64 -6.719 6.196 -1.187 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.082 8.266 -0.875 1.00 0.00 C ATOM 0 H ALA A 64 -4.406 9.250 -3.105 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.460 6.606 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.090 7.665 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.056 8.382 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.507 9.248 -0.665 1.00 0.00 H new ATOM 1088 N GLN A 65 -7.099 8.409 -1.327 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.477 8.313 -0.859 1.00 0.00 C ATOM 1090 C GLN A 65 -9.196 7.142 -1.522 1.00 0.00 C ATOM 1091 O GLN A 65 -9.725 6.262 -0.844 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.227 9.615 -1.145 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.806 10.769 -0.250 1.00 0.00 C ATOM 1094 CD GLN A 65 -9.192 12.120 -0.819 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.836 12.205 -1.865 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -8.800 13.186 -0.131 1.00 0.00 N ATOM 0 H GLN A 65 -6.792 9.357 -1.543 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.458 8.142 0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.066 9.896 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.296 9.443 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.264 10.648 0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.726 10.736 -0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.268 13.069 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.031 14.122 -0.465 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.212 7.139 -2.851 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.867 6.077 -3.605 1.00 0.00 C ATOM 1107 C ASN A 66 -9.578 4.713 -2.986 1.00 0.00 C ATOM 1108 O ASN A 66 -10.486 3.905 -2.788 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.402 6.097 -5.063 1.00 0.00 C ATOM 1110 CG ASN A 66 -10.026 4.984 -5.883 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -10.603 4.044 -5.338 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.912 5.088 -7.202 1.00 0.00 N ATOM 0 H ASN A 66 -8.779 7.860 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.942 6.251 -3.571 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.654 7.059 -5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.316 6.005 -5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.312 4.370 -7.807 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.425 5.886 -7.610 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.309 4.464 -2.682 1.00 0.00 N ATOM 1120 CA CYS A 67 -7.900 3.197 -2.085 1.00 0.00 C ATOM 1121 C CYS A 67 -8.437 3.068 -0.663 1.00 0.00 C ATOM 1122 O CYS A 67 -8.916 2.006 -0.263 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.375 3.081 -2.080 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.745 1.687 -1.117 1.00 0.00 S ATOM 0 H CYS A 67 -7.546 5.122 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.317 2.389 -2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.025 2.987 -3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.952 4.004 -1.683 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.716 0.622 -1.862 1.00 0.00 H new ATOM 1130 N THR A 68 -8.352 4.155 0.097 1.00 0.00 N ATOM 1131 CA THR A 68 -8.827 4.162 1.475 1.00 0.00 C ATOM 1132 C THR A 68 -10.327 3.901 1.542 1.00 0.00 C ATOM 1133 O THR A 68 -10.881 3.681 2.619 1.00 0.00 O ATOM 1134 CB THR A 68 -8.519 5.504 2.168 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.279 6.032 1.684 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.448 5.329 3.677 1.00 0.00 C ATOM 0 H THR A 68 -7.959 5.042 -0.218 1.00 0.00 H new ATOM 0 HA THR A 68 -8.299 3.363 1.995 1.00 0.00 H new ATOM 0 HB THR A 68 -9.324 6.201 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.588 5.339 1.730 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.230 6.289 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.403 4.955 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.660 4.617 3.924 1.00 0.00 H new ATOM 1144 N ARG A 69 -10.979 3.926 0.384 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.416 3.693 0.312 1.00 0.00 C ATOM 1146 C ARG A 69 -12.723 2.441 -0.505 1.00 0.00 C ATOM 1147 O ARG A 69 -13.810 1.872 -0.403 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.121 4.902 -0.305 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.495 4.583 -0.872 1.00 0.00 C ATOM 1150 CD ARG A 69 -14.414 4.180 -2.336 1.00 0.00 C ATOM 1151 NE ARG A 69 -15.731 4.139 -2.966 1.00 0.00 N ATOM 1152 CZ ARG A 69 -15.941 3.696 -4.201 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -14.927 3.259 -4.933 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -17.169 3.690 -4.704 1.00 0.00 N ATOM 0 H ARG A 69 -10.535 4.105 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.785 3.545 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.222 5.679 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.496 5.310 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.949 3.777 -0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.143 5.453 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.778 4.885 -2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.943 3.200 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.533 4.468 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.982 3.262 -4.549 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.091 2.919 -5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.952 4.025 -4.143 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -17.330 3.350 -5.652 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.758 2.017 -1.314 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.924 0.832 -2.147 1.00 0.00 C ATOM 1170 C ALA A 70 -11.720 -0.442 -1.335 1.00 0.00 C ATOM 1171 O ALA A 70 -12.522 -1.373 -1.411 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.958 0.873 -3.322 1.00 0.00 C ATOM 0 H ALA A 70 -10.853 2.477 -1.410 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.944 0.827 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.093 -0.018 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.154 1.761 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.934 0.906 -2.950 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.642 -0.477 -0.559 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.333 -1.638 0.267 1.00 0.00 C ATOM 1180 C ILE A 71 -10.965 -1.513 1.649 1.00 0.00 C ATOM 1181 O ILE A 71 -11.251 -2.514 2.304 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.812 -1.828 0.425 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.235 -0.750 1.346 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.130 -1.792 -0.934 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.814 -1.028 1.784 1.00 0.00 C ATOM 0 H ILE A 71 -9.968 0.285 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.748 -2.508 -0.242 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.627 -2.803 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.267 0.211 0.832 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.868 -0.661 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.056 -1.928 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.525 -2.592 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.320 -0.831 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.470 -0.224 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.779 -1.973 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.168 -1.088 0.908 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.181 -0.276 2.085 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.781 -0.020 3.389 1.00 0.00 C ATOM 1199 C ASN A 72 -13.085 -0.796 3.551 1.00 0.00 C ATOM 1200 O ASN A 72 -13.937 -0.789 2.663 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.041 1.478 3.569 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.220 1.755 4.482 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -13.176 1.462 5.677 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -14.282 2.321 3.921 1.00 0.00 N ATOM 0 H ASN A 72 -10.950 0.564 1.555 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.082 -0.356 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.149 1.952 3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.225 1.932 2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.106 2.530 4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.274 2.547 2.926 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.232 -1.464 4.690 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.431 -2.245 4.969 1.00 0.00 C ATOM 1213 C ASN A 73 -14.600 -3.366 3.947 1.00 0.00 C ATOM 1214 O ASN A 73 -15.650 -3.496 3.318 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.667 -1.343 4.960 1.00 0.00 C ATOM 1216 CG ASN A 73 -15.778 -0.503 6.218 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -15.473 0.690 6.210 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -16.216 -1.124 7.307 1.00 0.00 N ATOM 0 H ASN A 73 -12.535 -1.480 5.435 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.321 -2.691 5.958 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.629 -0.687 4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.561 -1.957 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.311 -0.611 8.183 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.457 -2.114 7.267 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.557 -4.174 3.787 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.588 -5.286 2.844 1.00 0.00 C ATOM 1227 C LYS A 74 -12.760 -6.459 3.358 1.00 0.00 C ATOM 1228 O LYS A 74 -12.122 -6.367 4.406 1.00 0.00 O ATOM 1229 CB LYS A 74 -13.064 -4.837 1.478 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.899 -3.744 0.835 1.00 0.00 C ATOM 1231 CD LYS A 74 -15.182 -4.299 0.239 1.00 0.00 C ATOM 1232 CE LYS A 74 -16.153 -3.187 -0.127 1.00 0.00 C ATOM 1233 NZ LYS A 74 -16.839 -2.632 1.073 1.00 0.00 N ATOM 0 H LYS A 74 -12.680 -4.079 4.298 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.623 -5.613 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.040 -4.481 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.031 -5.698 0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.141 -2.985 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.318 -3.252 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.948 -4.886 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.653 -4.975 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -15.615 -2.389 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.897 -3.570 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -17.867 -2.747 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -16.518 -3.140 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.611 -1.622 1.167 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.774 -7.559 2.612 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.022 -8.749 2.993 1.00 0.00 C ATOM 1249 C GLN A 75 -10.994 -9.109 1.926 1.00 0.00 C ATOM 1250 O GLN A 75 -11.332 -9.273 0.753 1.00 0.00 O ATOM 1251 CB GLN A 75 -12.972 -9.927 3.221 1.00 0.00 C ATOM 1252 CG GLN A 75 -13.956 -9.704 4.358 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.244 -9.050 3.895 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.666 -9.224 2.752 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.875 -8.292 4.784 1.00 0.00 N ATOM 0 H GLN A 75 -13.297 -7.651 1.741 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.494 -8.532 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.528 -10.118 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.385 -10.821 3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.187 -10.661 4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.489 -9.080 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.489 -8.176 5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.746 -7.826 4.530 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.737 -9.230 2.340 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.658 -9.570 1.419 1.00 0.00 C ATOM 1266 C LEU A 76 -7.793 -10.692 1.984 1.00 0.00 C ATOM 1267 O LEU A 76 -7.655 -10.831 3.200 1.00 0.00 O ATOM 1268 CB LEU A 76 -7.796 -8.339 1.136 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.386 -7.314 0.166 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.453 -6.479 0.856 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.290 -6.422 -0.400 1.00 0.00 C ATOM 0 H LEU A 76 -9.440 -9.098 3.307 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.105 -9.915 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.592 -7.838 2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.838 -8.675 0.740 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.852 -7.851 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.861 -5.755 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.252 -7.130 1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.012 -5.952 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.728 -5.699 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.794 -5.894 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.562 -7.034 -0.932 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.211 -11.488 1.095 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.357 -12.598 1.505 1.00 0.00 C ATOM 1285 C PHE A 77 -6.952 -13.326 2.706 1.00 0.00 C ATOM 1286 O PHE A 77 -6.230 -13.915 3.510 1.00 0.00 O ATOM 1287 CB PHE A 77 -4.954 -12.091 1.845 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.167 -11.654 0.642 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.410 -10.426 0.048 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.184 -12.470 0.107 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -3.688 -10.022 -1.059 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.458 -12.071 -0.999 1.00 0.00 C ATOM 1293 CZ PHE A 77 -2.710 -10.845 -1.582 1.00 0.00 C ATOM 0 H PHE A 77 -7.314 -11.386 0.085 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.290 -13.300 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.037 -11.254 2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.406 -12.880 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.172 -9.777 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.982 -13.430 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.888 -9.064 -1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.695 -12.717 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.143 -10.530 -2.446 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.276 -13.281 2.823 1.00 0.00 N ATOM 1304 CA GLY A 78 -8.947 -13.939 3.929 1.00 0.00 C ATOM 1305 C GLY A 78 -8.737 -13.218 5.245 1.00 0.00 C ATOM 1306 O GLY A 78 -8.474 -13.847 6.270 1.00 0.00 O ATOM 0 H GLY A 78 -8.896 -12.800 2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.015 -14.000 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.580 -14.962 4.016 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.853 -11.894 5.218 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.672 -11.087 6.418 1.00 0.00 C ATOM 1312 C ARG A 79 -9.195 -9.669 6.204 1.00 0.00 C ATOM 1313 O ARG A 79 -8.727 -8.950 5.321 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.194 -11.042 6.810 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.249 -11.002 5.621 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.817 -11.299 6.037 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.577 -12.732 6.188 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.466 -13.240 6.711 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.499 -12.436 7.130 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -3.322 -14.555 6.815 1.00 0.00 N ATOM 0 H ARG A 79 -9.071 -11.358 4.378 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.242 -11.548 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.019 -10.164 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.962 -11.916 7.419 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.570 -11.729 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.296 -10.020 5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.132 -10.893 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.601 -10.794 6.978 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.302 -13.378 5.875 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.607 -11.425 7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.647 -12.829 7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.064 -15.176 6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.469 -14.944 7.216 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.170 -9.274 7.017 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.757 -7.944 6.918 1.00 0.00 C ATOM 1336 C VAL A 80 -9.688 -6.862 7.028 1.00 0.00 C ATOM 1337 O VAL A 80 -9.052 -6.709 8.071 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.818 -7.715 8.010 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.417 -6.322 7.890 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.902 -8.779 7.929 1.00 0.00 C ATOM 0 H VAL A 80 -10.570 -9.857 7.752 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.234 -7.881 5.940 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.335 -7.793 8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.165 -6.179 8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.630 -5.577 8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.887 -6.211 6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.644 -8.603 8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.384 -8.734 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.456 -9.764 8.069 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.497 -6.114 5.947 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.506 -5.045 5.924 1.00 0.00 C ATOM 1352 C ILE A 81 -9.156 -3.687 6.167 1.00 0.00 C ATOM 1353 O ILE A 81 -10.213 -3.384 5.613 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.750 -5.007 4.582 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.100 -6.363 4.299 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.703 -3.904 4.595 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -5.997 -6.300 3.266 1.00 0.00 C ATOM 0 H ILE A 81 -10.015 -6.228 5.076 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.797 -5.254 6.725 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.464 -4.794 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.694 -6.763 5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.866 -7.060 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.177 -3.890 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.190 -2.942 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.990 -4.088 5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.582 -7.297 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.401 -5.930 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.212 -5.628 3.613 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.517 -2.872 6.999 1.00 0.00 N ATOM 1370 CA LYS A 82 -9.030 -1.544 7.314 1.00 0.00 C ATOM 1371 C LYS A 82 -8.102 -0.460 6.775 1.00 0.00 C ATOM 1372 O LYS A 82 -6.894 -0.492 7.007 1.00 0.00 O ATOM 1373 CB LYS A 82 -9.193 -1.384 8.828 1.00 0.00 C ATOM 1374 CG LYS A 82 -10.467 -2.007 9.371 1.00 0.00 C ATOM 1375 CD LYS A 82 -10.390 -3.524 9.373 1.00 0.00 C ATOM 1376 CE LYS A 82 -9.532 -4.037 10.520 1.00 0.00 C ATOM 1377 NZ LYS A 82 -10.232 -3.922 11.830 1.00 0.00 N ATOM 0 H LYS A 82 -7.642 -3.108 7.468 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.003 -1.435 6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.336 -1.836 9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.183 -0.323 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -10.644 -1.650 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.316 -1.686 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.394 -3.940 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.977 -3.870 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.269 -5.079 10.339 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.599 -3.474 10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.692 -4.432 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.310 -2.919 12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.184 -4.335 11.753 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.676 0.499 6.056 1.00 0.00 N ATOM 1392 CA ALA A 83 -7.900 1.594 5.487 1.00 0.00 C ATOM 1393 C ALA A 83 -8.354 2.938 6.048 1.00 0.00 C ATOM 1394 O ALA A 83 -9.547 3.167 6.246 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.013 1.589 3.970 1.00 0.00 C ATOM 0 H ALA A 83 -9.675 0.540 5.854 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.856 1.448 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.429 2.412 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.634 0.644 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.058 1.707 3.683 1.00 0.00 H new ATOM 1401 N SER A 84 -7.395 3.822 6.303 1.00 0.00 N ATOM 1402 CA SER A 84 -7.696 5.141 6.846 1.00 0.00 C ATOM 1403 C SER A 84 -6.529 6.099 6.626 1.00 0.00 C ATOM 1404 O SER A 84 -5.368 5.731 6.808 1.00 0.00 O ATOM 1405 CB SER A 84 -8.014 5.041 8.340 1.00 0.00 C ATOM 1406 OG SER A 84 -9.332 4.564 8.550 1.00 0.00 O ATOM 0 H SER A 84 -6.403 3.649 6.142 1.00 0.00 H new ATOM 0 HA SER A 84 -8.568 5.532 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.301 4.373 8.823 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.900 6.020 8.806 1.00 0.00 H new ATOM 0 HG SER A 84 -9.647 4.107 7.742 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.847 7.328 6.234 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.826 8.339 5.990 1.00 0.00 C ATOM 1414 C ILE A 85 -5.037 8.642 7.259 1.00 0.00 C ATOM 1415 O ILE A 85 -5.571 9.209 8.213 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.443 9.646 5.458 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.368 9.354 4.275 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.349 10.622 5.053 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.688 8.617 3.143 1.00 0.00 C ATOM 0 H ILE A 85 -7.803 7.648 6.079 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.153 7.931 5.236 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.033 10.102 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.216 8.764 4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.768 10.295 3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.801 11.541 4.679 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.726 10.850 5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.734 10.176 4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.404 8.444 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.857 9.214 2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.312 7.660 3.506 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.764 8.262 7.264 1.00 0.00 N ATOM 1432 CA ALA A 86 -2.901 8.496 8.415 1.00 0.00 C ATOM 1433 C ALA A 86 -2.642 9.986 8.612 1.00 0.00 C ATOM 1434 O ALA A 86 -1.695 10.540 8.054 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.586 7.747 8.250 1.00 0.00 C ATOM 0 H ALA A 86 -3.307 7.790 6.483 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.411 8.121 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.951 7.931 9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -1.784 6.678 8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.080 8.095 7.349 1.00 0.00 H new