USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= 0.0591 (180deg=0.00138) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.49! C(o=-4.6!,f=-1.5!) USER MOD Single : A 22 THR OG1 : rot 130:sc=-0.00119 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 26 SER OG : rot 60:sc= 0.242 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= 1.15 (180deg=-0.57) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0792 K(o=-0.079,f=-0.64) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl -151:sc= -2.53! (180deg=-4.24!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ILE A 14 4.590 12.977 -4.792 1.00 0.00 N ATOM 145 CA ILE A 14 3.516 11.994 -4.858 1.00 0.00 C ATOM 146 C ILE A 14 3.597 11.012 -3.695 1.00 0.00 C ATOM 147 O ILE A 14 4.583 10.290 -3.544 1.00 0.00 O ATOM 148 CB ILE A 14 3.554 11.208 -6.183 1.00 0.00 C ATOM 149 CG1 ILE A 14 3.538 12.170 -7.372 1.00 0.00 C ATOM 150 CG2 ILE A 14 2.381 10.243 -6.259 1.00 0.00 C ATOM 151 CD1 ILE A 14 2.222 12.897 -7.544 1.00 0.00 C ATOM 0 HA ILE A 14 2.578 12.546 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 14 4.478 10.630 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.335 12.903 -7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.758 11.613 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.421 9.695 -7.200 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.433 9.540 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.446 10.801 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.283 13.562 -8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.424 12.172 -7.701 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.010 13.482 -6.649 1.00 0.00 H new ATOM 163 N THR A 15 2.552 10.988 -2.874 1.00 0.00 N ATOM 164 CA THR A 15 2.503 10.094 -1.724 1.00 0.00 C ATOM 165 C THR A 15 1.219 9.273 -1.720 1.00 0.00 C ATOM 166 O THR A 15 0.119 9.821 -1.643 1.00 0.00 O ATOM 167 CB THR A 15 2.604 10.875 -0.400 1.00 0.00 C ATOM 168 OG1 THR A 15 3.767 11.710 -0.412 1.00 0.00 O ATOM 169 CG2 THR A 15 2.667 9.925 0.786 1.00 0.00 C ATOM 0 H THR A 15 1.727 11.578 -2.984 1.00 0.00 H new ATOM 0 HA THR A 15 3.359 9.424 -1.808 1.00 0.00 H new ATOM 0 HB THR A 15 1.713 11.495 -0.300 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.823 12.205 0.432 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.738 10.500 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.766 9.311 0.809 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.542 9.282 0.691 1.00 0.00 H new ATOM 177 N LEU A 16 1.365 7.955 -1.802 1.00 0.00 N ATOM 178 CA LEU A 16 0.216 7.056 -1.807 1.00 0.00 C ATOM 179 C LEU A 16 0.120 6.288 -0.493 1.00 0.00 C ATOM 180 O LEU A 16 1.037 5.557 -0.120 1.00 0.00 O ATOM 181 CB LEU A 16 0.314 6.077 -2.978 1.00 0.00 C ATOM 182 CG LEU A 16 0.038 6.659 -4.364 1.00 0.00 C ATOM 183 CD1 LEU A 16 0.437 5.669 -5.448 1.00 0.00 C ATOM 184 CD2 LEU A 16 -1.429 7.039 -4.501 1.00 0.00 C ATOM 0 H LEU A 16 2.268 7.485 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.685 7.659 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.314 5.644 -2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.387 5.261 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 16 0.639 7.560 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.233 6.101 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.501 5.446 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.137 4.750 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.607 7.452 -5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.049 6.154 -4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.684 7.784 -3.748 1.00 0.00 H new ATOM 196 N LYS A 17 -0.999 6.456 0.205 1.00 0.00 N ATOM 197 CA LYS A 17 -1.218 5.776 1.476 1.00 0.00 C ATOM 198 C LYS A 17 -1.948 4.453 1.267 1.00 0.00 C ATOM 199 O LYS A 17 -2.848 4.355 0.432 1.00 0.00 O ATOM 200 CB LYS A 17 -2.021 6.670 2.424 1.00 0.00 C ATOM 201 CG LYS A 17 -1.833 6.324 3.891 1.00 0.00 C ATOM 202 CD LYS A 17 -2.088 7.526 4.784 1.00 0.00 C ATOM 203 CE LYS A 17 -2.416 7.103 6.208 1.00 0.00 C ATOM 204 NZ LYS A 17 -3.812 6.598 6.329 1.00 0.00 N ATOM 0 H LYS A 17 -1.768 7.058 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.245 5.567 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.731 7.708 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.079 6.593 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.511 5.516 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.819 5.958 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.209 8.171 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.912 8.113 4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.720 6.327 6.526 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.277 7.950 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.088 6.577 7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.455 7.226 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.869 5.638 5.934 1.00 0.00 H new ATOM 218 N VAL A 18 -1.555 3.439 2.030 1.00 0.00 N ATOM 219 CA VAL A 18 -2.174 2.122 1.930 1.00 0.00 C ATOM 220 C VAL A 18 -2.662 1.639 3.292 1.00 0.00 C ATOM 221 O VAL A 18 -1.924 1.678 4.276 1.00 0.00 O ATOM 222 CB VAL A 18 -1.196 1.085 1.349 1.00 0.00 C ATOM 223 CG1 VAL A 18 -1.879 -0.265 1.192 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.636 1.567 0.020 1.00 0.00 C ATOM 0 H VAL A 18 -0.811 3.504 2.725 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.026 2.223 1.257 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.365 0.965 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.172 -0.985 0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.225 -0.613 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.730 -0.166 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.053 0.821 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.453 1.717 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.107 2.508 0.168 1.00 0.00 H new ATOM 234 N ASP A 19 -3.908 1.183 3.340 1.00 0.00 N ATOM 235 CA ASP A 19 -4.495 0.690 4.581 1.00 0.00 C ATOM 236 C ASP A 19 -4.880 -0.781 4.453 1.00 0.00 C ATOM 237 O ASP A 19 -4.823 -1.355 3.367 1.00 0.00 O ATOM 238 CB ASP A 19 -5.723 1.521 4.955 1.00 0.00 C ATOM 239 CG ASP A 19 -5.365 2.752 5.764 1.00 0.00 C ATOM 240 OD1 ASP A 19 -4.607 3.601 5.249 1.00 0.00 O ATOM 241 OD2 ASP A 19 -5.842 2.867 6.912 1.00 0.00 O ATOM 0 H ASP A 19 -4.532 1.144 2.534 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.749 0.784 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.242 1.825 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.416 0.903 5.526 1.00 0.00 H new ATOM 246 N ASN A 20 -5.271 -1.384 5.571 1.00 0.00 N ATOM 247 CA ASN A 20 -5.664 -2.788 5.584 1.00 0.00 C ATOM 248 C ASN A 20 -4.512 -3.679 5.129 1.00 0.00 C ATOM 249 O ASN A 20 -4.674 -4.517 4.240 1.00 0.00 O ATOM 250 CB ASN A 20 -6.880 -3.008 4.683 1.00 0.00 C ATOM 251 CG ASN A 20 -7.280 -4.468 4.597 1.00 0.00 C ATOM 252 OD1 ASN A 20 -7.665 -4.906 3.404 1.00 0.00 O flip ATOM 253 ND2 ASN A 20 -7.243 -5.193 5.591 1.00 0.00 N flip ATOM 0 H ASN A 20 -5.324 -0.922 6.479 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.926 -3.056 6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.720 -2.426 5.062 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.660 -2.635 3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.940 -4.813 6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.515 -6.173 5.518 1.00 0.00 H new ATOM 260 N LEU A 21 -3.349 -3.494 5.744 1.00 0.00 N ATOM 261 CA LEU A 21 -2.170 -4.282 5.403 1.00 0.00 C ATOM 262 C LEU A 21 -1.817 -5.250 6.528 1.00 0.00 C ATOM 263 O LEU A 21 -1.437 -4.835 7.623 1.00 0.00 O ATOM 264 CB LEU A 21 -0.982 -3.361 5.117 1.00 0.00 C ATOM 265 CG LEU A 21 -1.097 -2.485 3.869 1.00 0.00 C ATOM 266 CD1 LEU A 21 -0.010 -1.422 3.860 1.00 0.00 C ATOM 267 CD2 LEU A 21 -1.022 -3.338 2.611 1.00 0.00 C ATOM 0 H LEU A 21 -3.197 -2.805 6.481 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.398 -4.861 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.835 -2.712 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.086 -3.975 5.024 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.065 -1.984 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.108 -0.809 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.110 -0.792 4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.969 -1.902 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.105 -2.699 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.069 -3.866 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.838 -4.061 2.612 1.00 0.00 H new ATOM 279 N THR A 22 -1.944 -6.544 6.250 1.00 0.00 N ATOM 280 CA THR A 22 -1.639 -7.571 7.237 1.00 0.00 C ATOM 281 C THR A 22 -0.152 -7.587 7.572 1.00 0.00 C ATOM 282 O THR A 22 0.683 -7.193 6.757 1.00 0.00 O ATOM 283 CB THR A 22 -2.056 -8.969 6.741 1.00 0.00 C ATOM 284 OG1 THR A 22 -1.387 -9.979 7.503 1.00 0.00 O ATOM 285 CG2 THR A 22 -1.729 -9.139 5.265 1.00 0.00 C ATOM 0 H THR A 22 -2.256 -6.905 5.349 1.00 0.00 H new ATOM 0 HA THR A 22 -2.209 -7.326 8.133 1.00 0.00 H new ATOM 0 HB THR A 22 -3.133 -9.071 6.872 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.041 -10.634 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.032 -10.133 4.937 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.264 -8.387 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.656 -9.019 5.114 1.00 0.00 H new ATOM 293 N TYR A 23 0.174 -8.044 8.776 1.00 0.00 N ATOM 294 CA TYR A 23 1.561 -8.109 9.220 1.00 0.00 C ATOM 295 C TYR A 23 2.459 -8.666 8.119 1.00 0.00 C ATOM 296 O TYR A 23 3.438 -8.034 7.722 1.00 0.00 O ATOM 297 CB TYR A 23 1.677 -8.976 10.475 1.00 0.00 C ATOM 298 CG TYR A 23 3.044 -9.596 10.659 1.00 0.00 C ATOM 299 CD1 TYR A 23 4.106 -8.849 11.155 1.00 0.00 C ATOM 300 CD2 TYR A 23 3.274 -10.927 10.335 1.00 0.00 C ATOM 301 CE1 TYR A 23 5.356 -9.411 11.324 1.00 0.00 C ATOM 302 CE2 TYR A 23 4.521 -11.497 10.502 1.00 0.00 C ATOM 303 CZ TYR A 23 5.559 -10.735 10.997 1.00 0.00 C ATOM 304 OH TYR A 23 6.803 -11.299 11.164 1.00 0.00 O ATOM 0 H TYR A 23 -0.504 -8.375 9.462 1.00 0.00 H new ATOM 0 HA TYR A 23 1.889 -7.096 9.455 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.442 -8.368 11.349 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.931 -9.769 10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.951 -7.812 11.413 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.464 -11.526 9.946 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.171 -8.816 11.710 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.683 -12.534 10.246 1.00 0.00 H new ATOM 0 HH TYR A 23 6.776 -12.239 10.888 1.00 0.00 H new ATOM 314 N ARG A 24 2.118 -9.854 7.630 1.00 0.00 N ATOM 315 CA ARG A 24 2.893 -10.497 6.576 1.00 0.00 C ATOM 316 C ARG A 24 3.430 -9.465 5.589 1.00 0.00 C ATOM 317 O ARG A 24 4.508 -9.637 5.019 1.00 0.00 O ATOM 318 CB ARG A 24 2.034 -11.526 5.838 1.00 0.00 C ATOM 319 CG ARG A 24 2.061 -12.908 6.470 1.00 0.00 C ATOM 320 CD ARG A 24 1.024 -13.036 7.575 1.00 0.00 C ATOM 321 NE ARG A 24 -0.339 -13.003 7.053 1.00 0.00 N ATOM 322 CZ ARG A 24 -0.916 -14.031 6.440 1.00 0.00 C ATOM 323 NH1 ARG A 24 -0.251 -15.166 6.273 1.00 0.00 N ATOM 324 NH2 ARG A 24 -2.160 -13.925 5.993 1.00 0.00 N ATOM 0 H ARG A 24 1.310 -10.390 7.947 1.00 0.00 H new ATOM 0 HA ARG A 24 3.739 -11.005 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.004 -11.171 5.806 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.378 -11.601 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.875 -13.662 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.053 -13.104 6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.183 -13.970 8.115 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.157 -12.226 8.292 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.878 -12.144 7.165 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.706 -15.252 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.696 -15.954 5.802 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.675 -13.054 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.602 -14.715 5.523 1.00 0.00 H new ATOM 338 N THR A 25 2.671 -8.392 5.391 1.00 0.00 N ATOM 339 CA THR A 25 3.069 -7.333 4.472 1.00 0.00 C ATOM 340 C THR A 25 4.449 -6.789 4.824 1.00 0.00 C ATOM 341 O THR A 25 4.656 -6.254 5.913 1.00 0.00 O ATOM 342 CB THR A 25 2.055 -6.173 4.478 1.00 0.00 C ATOM 343 OG1 THR A 25 0.744 -6.667 4.181 1.00 0.00 O ATOM 344 CG2 THR A 25 2.444 -5.109 3.463 1.00 0.00 C ATOM 0 H THR A 25 1.777 -8.233 5.855 1.00 0.00 H new ATOM 0 HA THR A 25 3.099 -7.774 3.476 1.00 0.00 H new ATOM 0 HB THR A 25 2.057 -5.723 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.321 -6.989 5.004 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.713 -4.300 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.430 -4.714 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.468 -5.549 2.466 1.00 0.00 H new ATOM 352 N SER A 26 5.389 -6.929 3.896 1.00 0.00 N ATOM 353 CA SER A 26 6.751 -6.454 4.110 1.00 0.00 C ATOM 354 C SER A 26 7.124 -5.390 3.083 1.00 0.00 C ATOM 355 O SER A 26 6.568 -5.327 1.986 1.00 0.00 O ATOM 356 CB SER A 26 7.739 -7.620 4.034 1.00 0.00 C ATOM 357 OG SER A 26 7.399 -8.638 4.959 1.00 0.00 O ATOM 0 H SER A 26 5.233 -7.367 2.988 1.00 0.00 H new ATOM 0 HA SER A 26 6.801 -6.008 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.746 -8.030 3.024 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.747 -7.260 4.239 1.00 0.00 H new ATOM 0 HG SER A 26 6.497 -8.969 4.765 1.00 0.00 H new ATOM 363 N PRO A 27 8.088 -4.530 3.445 1.00 0.00 N ATOM 364 CA PRO A 27 8.557 -3.452 2.570 1.00 0.00 C ATOM 365 C PRO A 27 8.786 -3.926 1.138 1.00 0.00 C ATOM 366 O PRO A 27 8.394 -3.256 0.183 1.00 0.00 O ATOM 367 CB PRO A 27 9.881 -3.026 3.210 1.00 0.00 C ATOM 368 CG PRO A 27 9.726 -3.356 4.654 1.00 0.00 C ATOM 369 CD PRO A 27 8.794 -4.545 4.737 1.00 0.00 C ATOM 0 HA PRO A 27 7.828 -2.646 2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.723 -3.560 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.067 -1.962 3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.692 -3.591 5.102 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.318 -2.507 5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.344 -5.475 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.100 -4.452 5.573 1.00 0.00 H new ATOM 377 N ASP A 28 9.422 -5.084 0.998 1.00 0.00 N ATOM 378 CA ASP A 28 9.702 -5.648 -0.317 1.00 0.00 C ATOM 379 C ASP A 28 8.410 -5.893 -1.090 1.00 0.00 C ATOM 380 O ASP A 28 8.281 -5.492 -2.247 1.00 0.00 O ATOM 381 CB ASP A 28 10.484 -6.955 -0.179 1.00 0.00 C ATOM 382 CG ASP A 28 11.967 -6.724 0.034 1.00 0.00 C ATOM 383 OD1 ASP A 28 12.336 -6.175 1.094 1.00 0.00 O ATOM 384 OD2 ASP A 28 12.758 -7.092 -0.859 1.00 0.00 O ATOM 0 H ASP A 28 9.753 -5.650 1.779 1.00 0.00 H new ATOM 0 HA ASP A 28 10.305 -4.930 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.085 -7.527 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.338 -7.558 -1.075 1.00 0.00 H new ATOM 389 N SER A 29 7.455 -6.553 -0.442 1.00 0.00 N ATOM 390 CA SER A 29 6.174 -6.856 -1.070 1.00 0.00 C ATOM 391 C SER A 29 5.402 -5.576 -1.373 1.00 0.00 C ATOM 392 O SER A 29 5.026 -5.320 -2.518 1.00 0.00 O ATOM 393 CB SER A 29 5.341 -7.765 -0.165 1.00 0.00 C ATOM 394 OG SER A 29 4.325 -8.425 -0.901 1.00 0.00 O ATOM 0 H SER A 29 7.544 -6.888 0.517 1.00 0.00 H new ATOM 0 HA SER A 29 6.371 -7.372 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.988 -8.503 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.891 -7.175 0.633 1.00 0.00 H new ATOM 0 HG SER A 29 3.808 -9.001 -0.300 1.00 0.00 H new ATOM 400 N LEU A 30 5.169 -4.774 -0.340 1.00 0.00 N ATOM 401 CA LEU A 30 4.442 -3.519 -0.494 1.00 0.00 C ATOM 402 C LEU A 30 5.010 -2.698 -1.648 1.00 0.00 C ATOM 403 O LEU A 30 4.285 -1.957 -2.311 1.00 0.00 O ATOM 404 CB LEU A 30 4.503 -2.709 0.802 1.00 0.00 C ATOM 405 CG LEU A 30 3.861 -1.321 0.757 1.00 0.00 C ATOM 406 CD1 LEU A 30 2.417 -1.416 0.291 1.00 0.00 C ATOM 407 CD2 LEU A 30 3.941 -0.653 2.122 1.00 0.00 C ATOM 0 H LEU A 30 5.473 -4.971 0.614 1.00 0.00 H new ATOM 0 HA LEU A 30 3.402 -3.756 -0.719 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.019 -3.286 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.549 -2.595 1.087 1.00 0.00 H new ATOM 0 HG LEU A 30 4.412 -0.709 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.977 -0.419 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.385 -1.853 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.853 -2.044 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.480 0.333 2.072 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.415 -1.263 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.986 -0.551 2.416 1.00 0.00 H new ATOM 419 N ARG A 31 6.311 -2.838 -1.882 1.00 0.00 N ATOM 420 CA ARG A 31 6.976 -2.110 -2.956 1.00 0.00 C ATOM 421 C ARG A 31 6.600 -2.688 -4.318 1.00 0.00 C ATOM 422 O ARG A 31 6.203 -1.957 -5.225 1.00 0.00 O ATOM 423 CB ARG A 31 8.494 -2.159 -2.770 1.00 0.00 C ATOM 424 CG ARG A 31 9.243 -1.135 -3.606 1.00 0.00 C ATOM 425 CD ARG A 31 10.749 -1.307 -3.480 1.00 0.00 C ATOM 426 NE ARG A 31 11.215 -2.531 -4.124 1.00 0.00 N ATOM 427 CZ ARG A 31 12.458 -2.989 -4.020 1.00 0.00 C ATOM 428 NH1 ARG A 31 13.353 -2.327 -3.300 1.00 0.00 N ATOM 429 NH2 ARG A 31 12.807 -4.111 -4.636 1.00 0.00 N ATOM 0 H ARG A 31 6.925 -3.448 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 31 6.646 -1.072 -2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.728 -1.998 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.851 -3.156 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.951 -1.233 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.963 -0.130 -3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.251 -0.449 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.025 -1.324 -2.426 1.00 0.00 H new ATOM 0 HE ARG A 31 10.550 -3.064 -4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.088 -1.464 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.307 -2.680 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.121 -4.623 -5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.762 -4.461 -4.555 1.00 0.00 H new ATOM 443 N ARG A 32 6.730 -4.004 -4.453 1.00 0.00 N ATOM 444 CA ARG A 32 6.406 -4.679 -5.704 1.00 0.00 C ATOM 445 C ARG A 32 4.995 -4.326 -6.163 1.00 0.00 C ATOM 446 O ARG A 32 4.724 -4.236 -7.360 1.00 0.00 O ATOM 447 CB ARG A 32 6.537 -6.194 -5.539 1.00 0.00 C ATOM 448 CG ARG A 32 6.254 -6.972 -6.814 1.00 0.00 C ATOM 449 CD ARG A 32 6.593 -8.446 -6.654 1.00 0.00 C ATOM 450 NE ARG A 32 5.955 -9.268 -7.678 1.00 0.00 N ATOM 451 CZ ARG A 32 6.307 -10.522 -7.938 1.00 0.00 C ATOM 452 NH1 ARG A 32 7.287 -11.095 -7.252 1.00 0.00 N ATOM 453 NH2 ARG A 32 5.679 -11.206 -8.886 1.00 0.00 N ATOM 0 H ARG A 32 7.057 -4.624 -3.712 1.00 0.00 H new ATOM 0 HA ARG A 32 7.111 -4.341 -6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.545 -6.428 -5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.851 -6.527 -4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.202 -6.866 -7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.835 -6.551 -7.635 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.674 -8.577 -6.705 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.277 -8.786 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 32 5.198 -8.857 -8.224 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.772 -10.572 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.555 -12.058 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.925 -10.769 -9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.950 -12.169 -9.085 1.00 0.00 H new ATOM 467 N VAL A 33 4.098 -4.127 -5.202 1.00 0.00 N ATOM 468 CA VAL A 33 2.714 -3.783 -5.506 1.00 0.00 C ATOM 469 C VAL A 33 2.640 -2.679 -6.555 1.00 0.00 C ATOM 470 O VAL A 33 1.892 -2.782 -7.528 1.00 0.00 O ATOM 471 CB VAL A 33 1.958 -3.328 -4.244 1.00 0.00 C ATOM 472 CG1 VAL A 33 0.651 -2.647 -4.621 1.00 0.00 C ATOM 473 CG2 VAL A 33 1.706 -4.509 -3.319 1.00 0.00 C ATOM 0 H VAL A 33 4.305 -4.198 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 33 2.243 -4.685 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 33 2.576 -2.605 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.131 -2.332 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.861 -1.775 -5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.024 -3.345 -5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.171 -4.169 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.108 -5.257 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.658 -4.948 -3.022 1.00 0.00 H new ATOM 483 N PHE A 34 3.422 -1.624 -6.352 1.00 0.00 N ATOM 484 CA PHE A 34 3.445 -0.500 -7.280 1.00 0.00 C ATOM 485 C PHE A 34 4.635 -0.603 -8.230 1.00 0.00 C ATOM 486 O PHE A 34 4.618 -0.042 -9.325 1.00 0.00 O ATOM 487 CB PHE A 34 3.505 0.822 -6.512 1.00 0.00 C ATOM 488 CG PHE A 34 2.562 0.879 -5.345 1.00 0.00 C ATOM 489 CD1 PHE A 34 1.203 0.676 -5.523 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.034 1.138 -4.068 1.00 0.00 C ATOM 491 CE1 PHE A 34 0.333 0.727 -4.451 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.169 1.191 -2.992 1.00 0.00 C ATOM 493 CZ PHE A 34 0.816 0.986 -3.184 1.00 0.00 C ATOM 0 H PHE A 34 4.048 -1.524 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 34 2.528 -0.529 -7.869 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.523 0.980 -6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.276 1.640 -7.194 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.819 0.475 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.090 1.300 -3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.724 0.564 -4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.550 1.392 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.138 1.028 -2.345 1.00 0.00 H new ATOM 503 N GLU A 35 5.667 -1.324 -7.801 1.00 0.00 N ATOM 504 CA GLU A 35 6.866 -1.499 -8.612 1.00 0.00 C ATOM 505 C GLU A 35 6.510 -2.007 -10.006 1.00 0.00 C ATOM 506 O GLU A 35 7.162 -1.661 -10.991 1.00 0.00 O ATOM 507 CB GLU A 35 7.830 -2.474 -7.933 1.00 0.00 C ATOM 508 CG GLU A 35 9.284 -2.258 -8.316 1.00 0.00 C ATOM 509 CD GLU A 35 9.512 -2.349 -9.813 1.00 0.00 C ATOM 510 OE1 GLU A 35 9.608 -3.482 -10.330 1.00 0.00 O ATOM 511 OE2 GLU A 35 9.596 -1.289 -10.466 1.00 0.00 O ATOM 0 H GLU A 35 5.696 -1.796 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 35 7.352 -0.528 -8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.730 -2.377 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.543 -3.494 -8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.608 -1.279 -7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.903 -3.000 -7.812 1.00 0.00 H new ATOM 518 N LYS A 36 5.470 -2.831 -10.081 1.00 0.00 N ATOM 519 CA LYS A 36 5.025 -3.388 -11.353 1.00 0.00 C ATOM 520 C LYS A 36 4.759 -2.281 -12.368 1.00 0.00 C ATOM 521 O LYS A 36 5.048 -2.432 -13.556 1.00 0.00 O ATOM 522 CB LYS A 36 3.760 -4.225 -11.152 1.00 0.00 C ATOM 523 CG LYS A 36 3.625 -5.371 -12.140 1.00 0.00 C ATOM 524 CD LYS A 36 3.028 -4.905 -13.457 1.00 0.00 C ATOM 525 CE LYS A 36 1.525 -4.696 -13.344 1.00 0.00 C ATOM 526 NZ LYS A 36 0.917 -4.328 -14.652 1.00 0.00 N ATOM 0 H LYS A 36 4.919 -3.128 -9.275 1.00 0.00 H new ATOM 0 HA LYS A 36 5.819 -4.028 -11.739 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.758 -4.628 -10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.888 -3.577 -11.239 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.604 -5.814 -12.320 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.996 -6.151 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.504 -3.974 -13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.237 -5.641 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.059 -5.608 -12.970 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.321 -3.912 -12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.375 -3.446 -14.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.668 -4.191 -15.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.282 -5.089 -14.966 1.00 0.00 H new ATOM 540 N TYR A 37 4.208 -1.169 -11.893 1.00 0.00 N ATOM 541 CA TYR A 37 3.903 -0.037 -12.760 1.00 0.00 C ATOM 542 C TYR A 37 4.977 1.040 -12.649 1.00 0.00 C ATOM 543 O TYR A 37 5.610 1.407 -13.638 1.00 0.00 O ATOM 544 CB TYR A 37 2.537 0.551 -12.403 1.00 0.00 C ATOM 545 CG TYR A 37 1.457 -0.492 -12.224 1.00 0.00 C ATOM 546 CD1 TYR A 37 0.730 -0.962 -13.310 1.00 0.00 C ATOM 547 CD2 TYR A 37 1.163 -1.007 -10.967 1.00 0.00 C ATOM 548 CE1 TYR A 37 -0.258 -1.915 -13.151 1.00 0.00 C ATOM 549 CE2 TYR A 37 0.178 -1.961 -10.798 1.00 0.00 C ATOM 550 CZ TYR A 37 -0.530 -2.411 -11.893 1.00 0.00 C ATOM 551 OH TYR A 37 -1.513 -3.360 -11.730 1.00 0.00 O ATOM 0 H TYR A 37 3.964 -1.028 -10.913 1.00 0.00 H new ATOM 0 HA TYR A 37 3.880 -0.396 -13.789 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.629 1.129 -11.483 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.234 1.245 -13.187 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.941 -0.576 -14.296 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.714 -0.655 -10.107 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.814 -2.269 -14.007 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.036 -2.352 -9.814 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.578 -3.604 -10.783 1.00 0.00 H new ATOM 561 N GLY A 38 5.179 1.543 -11.434 1.00 0.00 N ATOM 562 CA GLY A 38 6.177 2.573 -11.214 1.00 0.00 C ATOM 563 C GLY A 38 7.060 2.277 -10.018 1.00 0.00 C ATOM 564 O GLY A 38 6.634 1.616 -9.071 1.00 0.00 O ATOM 0 H GLY A 38 4.669 1.255 -10.599 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.797 2.670 -12.105 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.679 3.531 -11.066 1.00 0.00 H new ATOM 568 N ARG A 39 8.295 2.767 -10.061 1.00 0.00 N ATOM 569 CA ARG A 39 9.242 2.548 -8.974 1.00 0.00 C ATOM 570 C ARG A 39 8.707 3.121 -7.664 1.00 0.00 C ATOM 571 O ARG A 39 7.651 3.754 -7.636 1.00 0.00 O ATOM 572 CB ARG A 39 10.591 3.186 -9.309 1.00 0.00 C ATOM 573 CG ARG A 39 11.533 2.260 -10.061 1.00 0.00 C ATOM 574 CD ARG A 39 11.141 2.137 -11.525 1.00 0.00 C ATOM 575 NE ARG A 39 11.629 3.261 -12.319 1.00 0.00 N ATOM 576 CZ ARG A 39 11.628 3.278 -13.647 1.00 0.00 C ATOM 577 NH1 ARG A 39 11.167 2.237 -14.327 1.00 0.00 N ATOM 578 NH2 ARG A 39 12.090 4.338 -14.299 1.00 0.00 N ATOM 0 H ARG A 39 8.663 3.318 -10.837 1.00 0.00 H new ATOM 0 HA ARG A 39 9.376 1.473 -8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.421 4.081 -9.907 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.071 3.506 -8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.553 2.638 -9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.524 1.274 -9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.540 1.207 -11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.055 2.080 -11.606 1.00 0.00 H new ATOM 0 HE ARG A 39 11.990 4.078 -11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.812 1.420 -13.830 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.168 2.253 -15.347 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.446 5.141 -13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.089 4.350 -15.319 1.00 0.00 H new ATOM 592 N VAL A 40 9.444 2.895 -6.581 1.00 0.00 N ATOM 593 CA VAL A 40 9.044 3.389 -5.269 1.00 0.00 C ATOM 594 C VAL A 40 10.129 4.270 -4.660 1.00 0.00 C ATOM 595 O VAL A 40 11.197 3.789 -4.284 1.00 0.00 O ATOM 596 CB VAL A 40 8.738 2.229 -4.302 1.00 0.00 C ATOM 597 CG1 VAL A 40 8.710 2.726 -2.865 1.00 0.00 C ATOM 598 CG2 VAL A 40 7.421 1.563 -4.670 1.00 0.00 C ATOM 0 H VAL A 40 10.321 2.373 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 40 8.139 3.979 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 40 9.531 1.487 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.492 1.893 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.679 3.153 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.938 3.488 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.220 0.746 -3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.615 2.294 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.483 1.171 -5.685 1.00 0.00 H new ATOM 608 N GLY A 41 9.847 5.566 -4.564 1.00 0.00 N ATOM 609 CA GLY A 41 10.808 6.495 -4.000 1.00 0.00 C ATOM 610 C GLY A 41 11.245 6.100 -2.603 1.00 0.00 C ATOM 611 O GLY A 41 12.432 6.152 -2.279 1.00 0.00 O ATOM 0 H GLY A 41 8.970 5.989 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.682 6.548 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.371 7.493 -3.972 1.00 0.00 H new ATOM 615 N ASP A 42 10.285 5.705 -1.774 1.00 0.00 N ATOM 616 CA ASP A 42 10.577 5.300 -0.404 1.00 0.00 C ATOM 617 C ASP A 42 9.395 4.552 0.205 1.00 0.00 C ATOM 618 O ASP A 42 8.238 4.882 -0.055 1.00 0.00 O ATOM 619 CB ASP A 42 10.917 6.522 0.450 1.00 0.00 C ATOM 620 CG ASP A 42 11.153 6.165 1.905 1.00 0.00 C ATOM 621 OD1 ASP A 42 12.279 5.738 2.236 1.00 0.00 O ATOM 622 OD2 ASP A 42 10.211 6.311 2.712 1.00 0.00 O ATOM 0 H ASP A 42 9.298 5.657 -2.027 1.00 0.00 H new ATOM 0 HA ASP A 42 11.437 4.630 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.808 7.006 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.104 7.245 0.384 1.00 0.00 H new ATOM 627 N VAL A 43 9.694 3.542 1.015 1.00 0.00 N ATOM 628 CA VAL A 43 8.657 2.746 1.661 1.00 0.00 C ATOM 629 C VAL A 43 8.677 2.941 3.173 1.00 0.00 C ATOM 630 O VAL A 43 9.732 2.873 3.804 1.00 0.00 O ATOM 631 CB VAL A 43 8.821 1.248 1.345 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.519 0.503 1.598 1.00 0.00 C ATOM 633 CG2 VAL A 43 9.285 1.054 -0.091 1.00 0.00 C ATOM 0 H VAL A 43 10.647 3.255 1.240 1.00 0.00 H new ATOM 0 HA VAL A 43 7.701 3.090 1.266 1.00 0.00 H new ATOM 0 HB VAL A 43 9.582 0.836 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.654 -0.554 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.234 0.614 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.735 0.914 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.396 -0.011 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.549 1.481 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.244 1.553 -0.234 1.00 0.00 H new ATOM 643 N TYR A 44 7.504 3.182 3.748 1.00 0.00 N ATOM 644 CA TYR A 44 7.386 3.389 5.186 1.00 0.00 C ATOM 645 C TYR A 44 6.322 2.473 5.783 1.00 0.00 C ATOM 646 O TYR A 44 5.180 2.448 5.323 1.00 0.00 O ATOM 647 CB TYR A 44 7.045 4.849 5.487 1.00 0.00 C ATOM 648 CG TYR A 44 7.013 5.172 6.964 1.00 0.00 C ATOM 649 CD1 TYR A 44 8.174 5.517 7.645 1.00 0.00 C ATOM 650 CD2 TYR A 44 5.822 5.130 7.679 1.00 0.00 C ATOM 651 CE1 TYR A 44 8.150 5.812 8.994 1.00 0.00 C ATOM 652 CE2 TYR A 44 5.788 5.424 9.028 1.00 0.00 C ATOM 653 CZ TYR A 44 6.954 5.765 9.681 1.00 0.00 C ATOM 654 OH TYR A 44 6.925 6.058 11.025 1.00 0.00 O ATOM 0 H TYR A 44 6.621 3.239 3.240 1.00 0.00 H new ATOM 0 HA TYR A 44 8.346 3.146 5.642 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.777 5.492 4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.074 5.084 5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.111 5.555 7.110 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.907 4.863 7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.062 6.078 9.508 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.854 5.387 9.568 1.00 0.00 H new ATOM 0 HH TYR A 44 6.006 5.980 11.357 1.00 0.00 H new ATOM 664 N ILE A 45 6.705 1.722 6.810 1.00 0.00 N ATOM 665 CA ILE A 45 5.784 0.805 7.471 1.00 0.00 C ATOM 666 C ILE A 45 5.873 0.936 8.988 1.00 0.00 C ATOM 667 O ILE A 45 6.725 0.331 9.639 1.00 0.00 O ATOM 668 CB ILE A 45 6.064 -0.657 7.076 1.00 0.00 C ATOM 669 CG1 ILE A 45 5.987 -0.821 5.557 1.00 0.00 C ATOM 670 CG2 ILE A 45 5.080 -1.589 7.765 1.00 0.00 C ATOM 671 CD1 ILE A 45 6.042 -2.262 5.101 1.00 0.00 C ATOM 0 H ILE A 45 7.646 1.730 7.202 1.00 0.00 H new ATOM 0 HA ILE A 45 4.780 1.075 7.143 1.00 0.00 H new ATOM 0 HB ILE A 45 7.071 -0.919 7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.062 -0.370 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.809 -0.272 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.291 -2.619 7.476 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.179 -1.488 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.064 -1.329 7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.982 -2.302 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.979 -2.712 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.205 -2.812 5.531 1.00 0.00 H new ATOM 683 N PRO A 46 4.972 1.744 9.566 1.00 0.00 N ATOM 684 CA PRO A 46 4.926 1.972 11.013 1.00 0.00 C ATOM 685 C PRO A 46 4.344 0.782 11.769 1.00 0.00 C ATOM 686 O PRO A 46 3.826 -0.156 11.163 1.00 0.00 O ATOM 687 CB PRO A 46 4.012 3.192 11.151 1.00 0.00 C ATOM 688 CG PRO A 46 3.121 3.135 9.959 1.00 0.00 C ATOM 689 CD PRO A 46 3.928 2.497 8.850 1.00 0.00 C ATOM 0 HA PRO A 46 5.921 2.118 11.435 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.438 3.154 12.077 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.587 4.117 11.171 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.225 2.552 10.172 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.791 4.134 9.673 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.313 1.841 8.234 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.359 3.247 8.186 1.00 0.00 H new ATOM 851 N GLY A 56 -1.866 -0.363 10.955 1.00 0.00 N ATOM 852 CA GLY A 56 -2.907 -0.661 9.989 1.00 0.00 C ATOM 853 C GLY A 56 -2.866 0.262 8.788 1.00 0.00 C ATOM 854 O GLY A 56 -3.900 0.561 8.190 1.00 0.00 O ATOM 0 HA2 GLY A 56 -2.802 -1.693 9.654 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.881 -0.580 10.472 1.00 0.00 H new ATOM 858 N PHE A 57 -1.668 0.716 8.434 1.00 0.00 N ATOM 859 CA PHE A 57 -1.496 1.613 7.297 1.00 0.00 C ATOM 860 C PHE A 57 -0.017 1.869 7.025 1.00 0.00 C ATOM 861 O PHE A 57 0.823 1.723 7.913 1.00 0.00 O ATOM 862 CB PHE A 57 -2.216 2.939 7.553 1.00 0.00 C ATOM 863 CG PHE A 57 -1.846 3.580 8.860 1.00 0.00 C ATOM 864 CD1 PHE A 57 -0.753 4.427 8.946 1.00 0.00 C ATOM 865 CD2 PHE A 57 -2.590 3.334 10.003 1.00 0.00 C ATOM 866 CE1 PHE A 57 -0.409 5.019 10.147 1.00 0.00 C ATOM 867 CE2 PHE A 57 -2.252 3.923 11.206 1.00 0.00 C ATOM 868 CZ PHE A 57 -1.159 4.765 11.279 1.00 0.00 C ATOM 0 H PHE A 57 -0.802 0.478 8.918 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.931 1.134 6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.988 3.630 6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.292 2.768 7.533 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.163 4.627 8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.444 2.674 9.953 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.444 5.679 10.200 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.842 3.725 12.089 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.891 5.224 12.219 1.00 0.00 H new ATOM 878 N ALA A 58 0.294 2.251 5.791 1.00 0.00 N ATOM 879 CA ALA A 58 1.671 2.529 5.402 1.00 0.00 C ATOM 880 C ALA A 58 1.750 3.758 4.501 1.00 0.00 C ATOM 881 O ALA A 58 0.728 4.279 4.054 1.00 0.00 O ATOM 882 CB ALA A 58 2.276 1.321 4.703 1.00 0.00 C ATOM 0 H ALA A 58 -0.389 2.375 5.044 1.00 0.00 H new ATOM 0 HA ALA A 58 2.243 2.736 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.304 1.543 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.263 0.466 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.695 1.088 3.811 1.00 0.00 H new ATOM 888 N PHE A 59 2.969 4.216 4.239 1.00 0.00 N ATOM 889 CA PHE A 59 3.181 5.385 3.393 1.00 0.00 C ATOM 890 C PHE A 59 4.196 5.084 2.294 1.00 0.00 C ATOM 891 O PHE A 59 5.365 4.814 2.571 1.00 0.00 O ATOM 892 CB PHE A 59 3.658 6.570 4.234 1.00 0.00 C ATOM 893 CG PHE A 59 2.566 7.209 5.044 1.00 0.00 C ATOM 894 CD1 PHE A 59 1.858 6.472 5.979 1.00 0.00 C ATOM 895 CD2 PHE A 59 2.248 8.546 4.870 1.00 0.00 C ATOM 896 CE1 PHE A 59 0.853 7.057 6.727 1.00 0.00 C ATOM 897 CE2 PHE A 59 1.245 9.136 5.615 1.00 0.00 C ATOM 898 CZ PHE A 59 0.545 8.390 6.543 1.00 0.00 C ATOM 0 H PHE A 59 3.825 3.796 4.600 1.00 0.00 H new ATOM 0 HA PHE A 59 2.231 5.641 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.448 6.234 4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.097 7.319 3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.094 5.428 6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.790 9.134 4.144 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.310 6.472 7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.008 10.180 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.242 8.849 7.124 1.00 0.00 H new ATOM 908 N VAL A 60 3.741 5.133 1.046 1.00 0.00 N ATOM 909 CA VAL A 60 4.609 4.867 -0.095 1.00 0.00 C ATOM 910 C VAL A 60 4.748 6.101 -0.979 1.00 0.00 C ATOM 911 O VAL A 60 3.769 6.797 -1.248 1.00 0.00 O ATOM 912 CB VAL A 60 4.077 3.697 -0.943 1.00 0.00 C ATOM 913 CG1 VAL A 60 4.992 3.439 -2.131 1.00 0.00 C ATOM 914 CG2 VAL A 60 3.930 2.445 -0.092 1.00 0.00 C ATOM 0 H VAL A 60 2.776 5.354 0.799 1.00 0.00 H new ATOM 0 HA VAL A 60 5.587 4.600 0.306 1.00 0.00 H new ATOM 0 HB VAL A 60 3.092 3.967 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.600 2.609 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.041 4.333 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.991 3.190 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.553 1.629 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.900 2.170 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.231 2.638 0.722 1.00 0.00 H new ATOM 924 N ARG A 61 5.970 6.365 -1.430 1.00 0.00 N ATOM 925 CA ARG A 61 6.237 7.515 -2.285 1.00 0.00 C ATOM 926 C ARG A 61 6.534 7.073 -3.715 1.00 0.00 C ATOM 927 O ARG A 61 7.211 6.069 -3.937 1.00 0.00 O ATOM 928 CB ARG A 61 7.413 8.324 -1.735 1.00 0.00 C ATOM 929 CG ARG A 61 7.316 8.603 -0.244 1.00 0.00 C ATOM 930 CD ARG A 61 8.361 9.613 0.203 1.00 0.00 C ATOM 931 NE ARG A 61 7.902 10.989 0.030 1.00 0.00 N ATOM 932 CZ ARG A 61 7.044 11.585 0.851 1.00 0.00 C ATOM 933 NH1 ARG A 61 6.555 10.930 1.895 1.00 0.00 N ATOM 934 NH2 ARG A 61 6.674 12.839 0.627 1.00 0.00 N ATOM 0 H ARG A 61 6.791 5.798 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 61 5.346 8.143 -2.295 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.339 7.785 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.473 9.272 -2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.321 8.979 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.446 7.674 0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.606 9.442 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.278 9.462 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 61 8.259 11.521 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.837 9.966 2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.897 11.391 2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.048 13.346 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.015 13.297 1.257 1.00 0.00 H new ATOM 948 N PHE A 62 6.022 7.828 -4.681 1.00 0.00 N ATOM 949 CA PHE A 62 6.231 7.514 -6.089 1.00 0.00 C ATOM 950 C PHE A 62 7.204 8.500 -6.728 1.00 0.00 C ATOM 951 O PHE A 62 7.474 9.568 -6.178 1.00 0.00 O ATOM 952 CB PHE A 62 4.898 7.535 -6.841 1.00 0.00 C ATOM 953 CG PHE A 62 4.079 6.291 -6.644 1.00 0.00 C ATOM 954 CD1 PHE A 62 3.993 5.693 -5.398 1.00 0.00 C ATOM 955 CD2 PHE A 62 3.394 5.722 -7.706 1.00 0.00 C ATOM 956 CE1 PHE A 62 3.241 4.548 -5.214 1.00 0.00 C ATOM 957 CE2 PHE A 62 2.640 4.577 -7.528 1.00 0.00 C ATOM 958 CZ PHE A 62 2.562 3.991 -6.280 1.00 0.00 C ATOM 0 H PHE A 62 5.459 8.662 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 62 6.661 6.514 -6.153 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.318 8.398 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.092 7.668 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.520 6.126 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.450 6.178 -8.683 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.184 4.089 -4.238 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.113 4.141 -8.364 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.971 3.098 -6.138 1.00 0.00 H new ATOM 968 N HIS A 63 7.729 8.134 -7.893 1.00 0.00 N ATOM 969 CA HIS A 63 8.672 8.986 -8.608 1.00 0.00 C ATOM 970 C HIS A 63 7.961 9.802 -9.684 1.00 0.00 C ATOM 971 O HIS A 63 8.416 10.882 -10.060 1.00 0.00 O ATOM 972 CB HIS A 63 9.777 8.140 -9.242 1.00 0.00 C ATOM 973 CG HIS A 63 10.960 7.932 -8.346 1.00 0.00 C ATOM 974 ND1 HIS A 63 11.782 8.960 -7.934 1.00 0.00 N ATOM 975 CD2 HIS A 63 11.456 6.806 -7.782 1.00 0.00 C ATOM 976 CE1 HIS A 63 12.733 8.475 -7.157 1.00 0.00 C ATOM 977 NE2 HIS A 63 12.558 7.170 -7.048 1.00 0.00 N ATOM 0 H HIS A 63 7.517 7.253 -8.362 1.00 0.00 H new ATOM 0 HA HIS A 63 9.117 9.674 -7.890 1.00 0.00 H new ATOM 0 HB2 HIS A 63 9.366 7.169 -9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.109 8.621 -10.162 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.059 5.807 -7.889 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.520 9.048 -6.690 1.00 0.00 H new ATOM 0 HE2 HIS A 63 13.146 6.536 -6.507 1.00 0.00 H new ATOM 985 N ASP A 64 6.843 9.278 -10.174 1.00 0.00 N ATOM 986 CA ASP A 64 6.068 9.958 -11.206 1.00 0.00 C ATOM 987 C ASP A 64 4.620 10.142 -10.765 1.00 0.00 C ATOM 988 O ASP A 64 4.228 9.700 -9.684 1.00 0.00 O ATOM 989 CB ASP A 64 6.120 9.169 -12.515 1.00 0.00 C ATOM 990 CG ASP A 64 5.881 10.045 -13.729 1.00 0.00 C ATOM 991 OD1 ASP A 64 4.704 10.333 -14.031 1.00 0.00 O ATOM 992 OD2 ASP A 64 6.872 10.444 -14.376 1.00 0.00 O ATOM 0 H ASP A 64 6.453 8.385 -9.873 1.00 0.00 H new ATOM 0 HA ASP A 64 6.507 10.943 -11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.092 8.685 -12.606 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.371 8.377 -12.489 1.00 0.00 H new ATOM 997 N ARG A 65 3.829 10.797 -11.608 1.00 0.00 N ATOM 998 CA ARG A 65 2.424 11.042 -11.304 1.00 0.00 C ATOM 999 C ARG A 65 1.523 10.109 -12.108 1.00 0.00 C ATOM 1000 O ARG A 65 0.600 9.502 -11.566 1.00 0.00 O ATOM 1001 CB ARG A 65 2.062 12.498 -11.601 1.00 0.00 C ATOM 1002 CG ARG A 65 0.727 12.926 -11.013 1.00 0.00 C ATOM 1003 CD ARG A 65 0.550 14.435 -11.073 1.00 0.00 C ATOM 1004 NE ARG A 65 0.119 14.884 -12.395 1.00 0.00 N ATOM 1005 CZ ARG A 65 -0.310 16.115 -12.649 1.00 0.00 C ATOM 1006 NH1 ARG A 65 -0.362 17.016 -11.678 1.00 0.00 N ATOM 1007 NH2 ARG A 65 -0.685 16.447 -13.878 1.00 0.00 N ATOM 0 H ARG A 65 4.137 11.168 -12.507 1.00 0.00 H new ATOM 0 HA ARG A 65 2.268 10.845 -10.243 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.846 13.146 -11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.037 12.644 -12.681 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.084 12.442 -11.557 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.660 12.592 -9.978 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.184 14.744 -10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.491 14.921 -10.814 1.00 0.00 H new ATOM 0 HE ARG A 65 0.149 14.216 -13.165 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.072 16.765 -10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.692 17.961 -11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.644 15.757 -14.628 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.014 17.392 -14.073 1.00 0.00 H new ATOM 1021 N ARG A 66 1.798 10.001 -13.404 1.00 0.00 N ATOM 1022 CA ARG A 66 1.012 9.143 -14.283 1.00 0.00 C ATOM 1023 C ARG A 66 0.996 7.707 -13.769 1.00 0.00 C ATOM 1024 O ARG A 66 0.079 6.941 -14.065 1.00 0.00 O ATOM 1025 CB ARG A 66 1.575 9.181 -15.705 1.00 0.00 C ATOM 1026 CG ARG A 66 2.866 8.396 -15.870 1.00 0.00 C ATOM 1027 CD ARG A 66 2.992 7.820 -17.271 1.00 0.00 C ATOM 1028 NE ARG A 66 3.858 6.644 -17.304 1.00 0.00 N ATOM 1029 CZ ARG A 66 4.279 6.073 -18.427 1.00 0.00 C ATOM 1030 NH1 ARG A 66 3.916 6.566 -19.602 1.00 0.00 N ATOM 1031 NH2 ARG A 66 5.065 5.005 -18.375 1.00 0.00 N ATOM 0 H ARG A 66 2.559 10.497 -13.868 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.011 9.518 -14.295 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.828 8.785 -16.393 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.752 10.218 -15.989 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.717 9.046 -15.665 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.898 7.588 -15.139 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.003 7.552 -17.643 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.390 8.582 -17.942 1.00 0.00 H new ATOM 0 HE ARG A 66 4.156 6.239 -16.416 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.312 7.386 -19.646 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.241 6.125 -20.462 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.346 4.622 -17.472 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.388 4.567 -19.238 1.00 0.00 H new ATOM 1045 N ASP A 67 2.017 7.348 -12.998 1.00 0.00 N ATOM 1046 CA ASP A 67 2.120 6.004 -12.442 1.00 0.00 C ATOM 1047 C ASP A 67 1.249 5.861 -11.199 1.00 0.00 C ATOM 1048 O ASP A 67 0.510 4.888 -11.054 1.00 0.00 O ATOM 1049 CB ASP A 67 3.576 5.681 -12.100 1.00 0.00 C ATOM 1050 CG ASP A 67 4.356 5.184 -13.301 1.00 0.00 C ATOM 1051 OD1 ASP A 67 4.087 4.053 -13.756 1.00 0.00 O ATOM 1052 OD2 ASP A 67 5.237 5.925 -13.785 1.00 0.00 O ATOM 0 H ASP A 67 2.785 7.969 -12.744 1.00 0.00 H new ATOM 0 HA ASP A 67 1.766 5.299 -13.194 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.059 6.573 -11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.603 4.925 -11.315 1.00 0.00 H new ATOM 1057 N ALA A 68 1.341 6.839 -10.303 1.00 0.00 N ATOM 1058 CA ALA A 68 0.560 6.822 -9.072 1.00 0.00 C ATOM 1059 C ALA A 68 -0.935 6.859 -9.369 1.00 0.00 C ATOM 1060 O ALA A 68 -1.752 6.468 -8.536 1.00 0.00 O ATOM 1061 CB ALA A 68 0.952 7.993 -8.183 1.00 0.00 C ATOM 0 H ALA A 68 1.948 7.652 -10.407 1.00 0.00 H new ATOM 0 HA ALA A 68 0.776 5.892 -8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.361 7.968 -7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.011 7.922 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.765 8.929 -8.710 1.00 0.00 H new ATOM 1067 N GLN A 69 -1.285 7.332 -10.561 1.00 0.00 N ATOM 1068 CA GLN A 69 -2.682 7.420 -10.967 1.00 0.00 C ATOM 1069 C GLN A 69 -3.179 6.082 -11.505 1.00 0.00 C ATOM 1070 O GLN A 69 -4.367 5.769 -11.417 1.00 0.00 O ATOM 1071 CB GLN A 69 -2.859 8.507 -12.029 1.00 0.00 C ATOM 1072 CG GLN A 69 -3.142 9.884 -11.449 1.00 0.00 C ATOM 1073 CD GLN A 69 -3.667 10.857 -12.486 1.00 0.00 C ATOM 1074 OE1 GLN A 69 -3.105 10.985 -13.574 1.00 0.00 O ATOM 1075 NE2 GLN A 69 -4.750 11.550 -12.154 1.00 0.00 N ATOM 0 H GLN A 69 -0.620 7.660 -11.262 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.273 7.680 -10.089 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.957 8.557 -12.639 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.677 8.226 -12.692 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.869 9.792 -10.642 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.228 10.284 -11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.184 11.412 -11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.148 12.220 -12.812 1.00 0.00 H new ATOM 1084 N ASP A 70 -2.263 5.297 -12.061 1.00 0.00 N ATOM 1085 CA ASP A 70 -2.608 3.992 -12.612 1.00 0.00 C ATOM 1086 C ASP A 70 -2.657 2.934 -11.514 1.00 0.00 C ATOM 1087 O ASP A 70 -3.631 2.191 -11.398 1.00 0.00 O ATOM 1088 CB ASP A 70 -1.597 3.584 -13.685 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.980 4.088 -15.063 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -2.230 5.303 -15.202 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -2.032 3.266 -16.002 1.00 0.00 O ATOM 0 H ASP A 70 -1.276 5.542 -12.142 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.597 4.066 -13.065 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.614 3.972 -13.420 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.515 2.497 -13.709 1.00 0.00 H new ATOM 1096 N ALA A 71 -1.599 2.871 -10.712 1.00 0.00 N ATOM 1097 CA ALA A 71 -1.522 1.905 -9.623 1.00 0.00 C ATOM 1098 C ALA A 71 -2.738 2.010 -8.709 1.00 0.00 C ATOM 1099 O ALA A 71 -3.285 0.999 -8.271 1.00 0.00 O ATOM 1100 CB ALA A 71 -0.242 2.108 -8.827 1.00 0.00 C ATOM 0 H ALA A 71 -0.783 3.478 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.512 0.905 -10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.198 1.380 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.619 1.975 -9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.228 3.115 -8.410 1.00 0.00 H new ATOM 1106 N GLU A 72 -3.155 3.240 -8.426 1.00 0.00 N ATOM 1107 CA GLU A 72 -4.306 3.476 -7.562 1.00 0.00 C ATOM 1108 C GLU A 72 -5.561 2.825 -8.138 1.00 0.00 C ATOM 1109 O GLU A 72 -6.068 1.843 -7.598 1.00 0.00 O ATOM 1110 CB GLU A 72 -4.535 4.977 -7.378 1.00 0.00 C ATOM 1111 CG GLU A 72 -5.462 5.315 -6.223 1.00 0.00 C ATOM 1112 CD GLU A 72 -6.166 6.645 -6.409 1.00 0.00 C ATOM 1113 OE1 GLU A 72 -7.238 6.665 -7.050 1.00 0.00 O ATOM 1114 OE2 GLU A 72 -5.645 7.666 -5.913 1.00 0.00 O ATOM 0 H GLU A 72 -2.714 4.088 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.097 3.027 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.574 5.465 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.950 5.388 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.207 4.526 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.888 5.338 -5.297 1.00 0.00 H new ATOM 1121 N ALA A 73 -6.057 3.382 -9.239 1.00 0.00 N ATOM 1122 CA ALA A 73 -7.250 2.856 -9.889 1.00 0.00 C ATOM 1123 C ALA A 73 -7.188 1.337 -10.007 1.00 0.00 C ATOM 1124 O ALA A 73 -8.209 0.656 -9.922 1.00 0.00 O ATOM 1125 CB ALA A 73 -7.424 3.487 -11.263 1.00 0.00 C ATOM 0 H ALA A 73 -5.651 4.197 -9.698 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.111 3.111 -9.272 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.319 3.085 -11.737 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.523 4.567 -11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.554 3.261 -11.880 1.00 0.00 H new ATOM 1131 N ALA A 74 -5.983 0.812 -10.203 1.00 0.00 N ATOM 1132 CA ALA A 74 -5.787 -0.626 -10.331 1.00 0.00 C ATOM 1133 C ALA A 74 -6.030 -1.334 -9.002 1.00 0.00 C ATOM 1134 O ALA A 74 -6.851 -2.246 -8.915 1.00 0.00 O ATOM 1135 CB ALA A 74 -4.386 -0.926 -10.841 1.00 0.00 C ATOM 0 H ALA A 74 -5.127 1.362 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.512 -1.002 -11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.255 -2.004 -10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.247 -0.460 -11.817 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.651 -0.529 -10.141 1.00 0.00 H new ATOM 1141 N MET A 75 -5.311 -0.906 -7.969 1.00 0.00 N ATOM 1142 CA MET A 75 -5.450 -1.499 -6.644 1.00 0.00 C ATOM 1143 C MET A 75 -6.736 -1.031 -5.971 1.00 0.00 C ATOM 1144 O MET A 75 -7.675 -1.807 -5.797 1.00 0.00 O ATOM 1145 CB MET A 75 -4.244 -1.141 -5.773 1.00 0.00 C ATOM 1146 CG MET A 75 -3.105 -2.142 -5.869 1.00 0.00 C ATOM 1147 SD MET A 75 -3.591 -3.799 -5.349 1.00 0.00 S ATOM 1148 CE MET A 75 -2.000 -4.621 -5.307 1.00 0.00 C ATOM 0 H MET A 75 -4.627 -0.151 -8.024 1.00 0.00 H new ATOM 0 HA MET A 75 -5.496 -2.582 -6.760 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.877 -0.157 -6.063 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.566 -1.068 -4.734 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.745 -2.179 -6.897 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.274 -1.801 -5.252 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.133 -5.683 -5.515 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.344 -4.183 -6.059 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.553 -4.498 -4.320 1.00 0.00 H new ATOM 1158 N ASP A 76 -6.771 0.242 -5.593 1.00 0.00 N ATOM 1159 CA ASP A 76 -7.942 0.814 -4.939 1.00 0.00 C ATOM 1160 C ASP A 76 -9.225 0.194 -5.484 1.00 0.00 C ATOM 1161 O ASP A 76 -9.708 0.576 -6.548 1.00 0.00 O ATOM 1162 CB ASP A 76 -7.972 2.331 -5.134 1.00 0.00 C ATOM 1163 CG ASP A 76 -9.381 2.890 -5.112 1.00 0.00 C ATOM 1164 OD1 ASP A 76 -10.182 2.445 -4.263 1.00 0.00 O ATOM 1165 OD2 ASP A 76 -9.683 3.772 -5.944 1.00 0.00 O ATOM 0 H ASP A 76 -6.001 0.898 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.876 0.594 -3.874 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.383 2.807 -4.350 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.500 2.582 -6.084 1.00 0.00 H new ATOM 1170 N GLY A 77 -9.772 -0.767 -4.745 1.00 0.00 N ATOM 1171 CA GLY A 77 -10.993 -1.426 -5.170 1.00 0.00 C ATOM 1172 C GLY A 77 -10.743 -2.823 -5.702 1.00 0.00 C ATOM 1173 O GLY A 77 -11.512 -3.331 -6.517 1.00 0.00 O ATOM 0 H GLY A 77 -9.391 -1.101 -3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.685 -1.479 -4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.475 -0.827 -5.943 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.662 -3.446 -5.242 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.313 -4.792 -5.676 1.00 0.00 C ATOM 1179 C ALA A 78 -9.660 -5.822 -4.606 1.00 0.00 C ATOM 1180 O ALA A 78 -10.182 -5.477 -3.547 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.833 -4.868 -6.024 1.00 0.00 C ATOM 0 H ALA A 78 -9.013 -3.039 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.897 -5.022 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.587 -5.880 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.612 -4.167 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.239 -4.612 -5.146 1.00 0.00 H new ATOM 1187 N GLU A 79 -9.366 -7.087 -4.891 1.00 0.00 N ATOM 1188 CA GLU A 79 -9.649 -8.166 -3.952 1.00 0.00 C ATOM 1189 C GLU A 79 -8.363 -8.865 -3.522 1.00 0.00 C ATOM 1190 O GLU A 79 -7.686 -9.499 -4.333 1.00 0.00 O ATOM 1191 CB GLU A 79 -10.608 -9.180 -4.580 1.00 0.00 C ATOM 1192 CG GLU A 79 -11.018 -10.296 -3.635 1.00 0.00 C ATOM 1193 CD GLU A 79 -11.999 -11.265 -4.267 1.00 0.00 C ATOM 1194 OE1 GLU A 79 -11.554 -12.149 -5.028 1.00 0.00 O ATOM 1195 OE2 GLU A 79 -13.212 -11.138 -3.999 1.00 0.00 O ATOM 0 H GLU A 79 -8.933 -7.389 -5.763 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.118 -7.731 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.502 -8.658 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.137 -9.616 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.130 -10.841 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.466 -9.863 -2.740 1.00 0.00 H new ATOM 1202 N LEU A 80 -8.030 -8.744 -2.242 1.00 0.00 N ATOM 1203 CA LEU A 80 -6.824 -9.363 -1.703 1.00 0.00 C ATOM 1204 C LEU A 80 -6.994 -9.687 -0.222 1.00 0.00 C ATOM 1205 O LEU A 80 -7.657 -8.954 0.512 1.00 0.00 O ATOM 1206 CB LEU A 80 -5.621 -8.439 -1.899 1.00 0.00 C ATOM 1207 CG LEU A 80 -5.089 -8.325 -3.328 1.00 0.00 C ATOM 1208 CD1 LEU A 80 -4.194 -7.103 -3.469 1.00 0.00 C ATOM 1209 CD2 LEU A 80 -4.334 -9.587 -3.718 1.00 0.00 C ATOM 0 H LEU A 80 -8.578 -8.223 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.651 -10.294 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.894 -7.442 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.812 -8.788 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.937 -8.209 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.825 -7.039 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.764 -6.205 -3.232 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.351 -7.189 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.963 -9.488 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.494 -9.733 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.004 -10.445 -3.657 1.00 0.00 H new ATOM 1221 N ASP A 81 -6.390 -10.788 0.210 1.00 0.00 N ATOM 1222 CA ASP A 81 -6.471 -11.208 1.604 1.00 0.00 C ATOM 1223 C ASP A 81 -7.913 -11.172 2.099 1.00 0.00 C ATOM 1224 O ASP A 81 -8.189 -10.714 3.207 1.00 0.00 O ATOM 1225 CB ASP A 81 -5.595 -10.312 2.481 1.00 0.00 C ATOM 1226 CG ASP A 81 -5.581 -8.873 2.006 1.00 0.00 C ATOM 1227 OD1 ASP A 81 -4.763 -8.548 1.121 1.00 0.00 O ATOM 1228 OD2 ASP A 81 -6.389 -8.070 2.520 1.00 0.00 O ATOM 0 H ASP A 81 -5.839 -11.406 -0.385 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.108 -12.234 1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.957 -10.349 3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.576 -10.699 2.488 1.00 0.00 H new ATOM 1233 N GLY A 82 -8.831 -11.657 1.269 1.00 0.00 N ATOM 1234 CA GLY A 82 -10.234 -11.670 1.639 1.00 0.00 C ATOM 1235 C GLY A 82 -10.722 -10.314 2.109 1.00 0.00 C ATOM 1236 O GLY A 82 -11.648 -10.225 2.915 1.00 0.00 O ATOM 0 H GLY A 82 -8.628 -12.041 0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.829 -11.991 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.391 -12.403 2.430 1.00 0.00 H new ATOM 1240 N ARG A 83 -10.098 -9.255 1.604 1.00 0.00 N ATOM 1241 CA ARG A 83 -10.472 -7.897 1.979 1.00 0.00 C ATOM 1242 C ARG A 83 -10.280 -6.937 0.808 1.00 0.00 C ATOM 1243 O ARG A 83 -9.895 -7.348 -0.286 1.00 0.00 O ATOM 1244 CB ARG A 83 -9.643 -7.429 3.177 1.00 0.00 C ATOM 1245 CG ARG A 83 -10.002 -8.130 4.477 1.00 0.00 C ATOM 1246 CD ARG A 83 -11.170 -7.448 5.173 1.00 0.00 C ATOM 1247 NE ARG A 83 -12.447 -7.769 4.541 1.00 0.00 N ATOM 1248 CZ ARG A 83 -13.595 -7.188 4.870 1.00 0.00 C ATOM 1249 NH1 ARG A 83 -13.627 -6.263 5.819 1.00 0.00 N ATOM 1250 NH2 ARG A 83 -14.716 -7.533 4.249 1.00 0.00 N ATOM 0 H ARG A 83 -9.331 -9.311 0.934 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.527 -7.901 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.587 -7.595 2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.778 -6.355 3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.256 -9.170 4.273 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.136 -8.137 5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.197 -7.753 6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.020 -6.368 5.159 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.458 -8.478 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.768 -5.995 6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.511 -5.819 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.696 -8.245 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.597 -7.086 4.502 1.00 0.00 H new ATOM 1264 N GLU A 84 -10.552 -5.658 1.047 1.00 0.00 N ATOM 1265 CA GLU A 84 -10.410 -4.641 0.012 1.00 0.00 C ATOM 1266 C GLU A 84 -9.378 -3.593 0.416 1.00 0.00 C ATOM 1267 O GLU A 84 -9.714 -2.575 1.024 1.00 0.00 O ATOM 1268 CB GLU A 84 -11.757 -3.968 -0.261 1.00 0.00 C ATOM 1269 CG GLU A 84 -11.787 -3.167 -1.552 1.00 0.00 C ATOM 1270 CD GLU A 84 -12.940 -2.183 -1.601 1.00 0.00 C ATOM 1271 OE1 GLU A 84 -13.959 -2.428 -0.923 1.00 0.00 O ATOM 1272 OE2 GLU A 84 -12.823 -1.168 -2.319 1.00 0.00 O ATOM 0 H GLU A 84 -10.872 -5.302 1.948 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.066 -5.132 -0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.534 -4.732 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.999 -3.308 0.572 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.847 -2.626 -1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.861 -3.851 -2.398 1.00 0.00 H new ATOM 1279 N LEU A 85 -8.119 -3.848 0.076 1.00 0.00 N ATOM 1280 CA LEU A 85 -7.036 -2.928 0.404 1.00 0.00 C ATOM 1281 C LEU A 85 -7.365 -1.512 -0.060 1.00 0.00 C ATOM 1282 O LEU A 85 -7.867 -1.312 -1.167 1.00 0.00 O ATOM 1283 CB LEU A 85 -5.730 -3.397 -0.239 1.00 0.00 C ATOM 1284 CG LEU A 85 -5.300 -4.829 0.082 1.00 0.00 C ATOM 1285 CD1 LEU A 85 -4.212 -5.287 -0.877 1.00 0.00 C ATOM 1286 CD2 LEU A 85 -4.820 -4.931 1.523 1.00 0.00 C ATOM 0 H LEU A 85 -7.823 -4.685 -0.427 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.917 -2.917 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.826 -3.302 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.933 -2.721 0.071 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.163 -5.483 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.919 -6.308 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.589 -5.252 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.347 -4.630 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.518 -5.957 1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.970 -4.265 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.628 -4.645 2.197 1.00 0.00 H new ATOM 1298 N ARG A 86 -7.077 -0.534 0.792 1.00 0.00 N ATOM 1299 CA ARG A 86 -7.342 0.863 0.469 1.00 0.00 C ATOM 1300 C ARG A 86 -6.066 1.567 0.014 1.00 0.00 C ATOM 1301 O ARG A 86 -5.371 2.193 0.815 1.00 0.00 O ATOM 1302 CB ARG A 86 -7.932 1.586 1.681 1.00 0.00 C ATOM 1303 CG ARG A 86 -8.869 2.725 1.314 1.00 0.00 C ATOM 1304 CD ARG A 86 -9.921 2.950 2.389 1.00 0.00 C ATOM 1305 NE ARG A 86 -10.367 4.339 2.436 1.00 0.00 N ATOM 1306 CZ ARG A 86 -11.383 4.760 3.181 1.00 0.00 C ATOM 1307 NH1 ARG A 86 -12.054 3.903 3.938 1.00 0.00 N ATOM 1308 NH2 ARG A 86 -11.730 6.041 3.170 1.00 0.00 N ATOM 0 H ARG A 86 -6.660 -0.683 1.711 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.063 0.891 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.472 0.866 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -7.118 1.978 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.293 3.639 1.170 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.358 2.504 0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.776 2.301 2.201 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.514 2.667 3.360 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.871 5.024 1.865 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.790 2.918 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.834 4.229 4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.216 6.704 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.510 6.363 3.743 1.00 0.00 H new ATOM 1322 N VAL A 87 -5.764 1.459 -1.276 1.00 0.00 N ATOM 1323 CA VAL A 87 -4.573 2.085 -1.837 1.00 0.00 C ATOM 1324 C VAL A 87 -4.908 3.426 -2.479 1.00 0.00 C ATOM 1325 O VAL A 87 -5.212 3.497 -3.669 1.00 0.00 O ATOM 1326 CB VAL A 87 -3.905 1.178 -2.887 1.00 0.00 C ATOM 1327 CG1 VAL A 87 -2.491 1.655 -3.182 1.00 0.00 C ATOM 1328 CG2 VAL A 87 -3.901 -0.268 -2.417 1.00 0.00 C ATOM 0 H VAL A 87 -6.328 0.944 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.880 2.244 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.482 1.234 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.035 1.002 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.524 2.675 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.900 1.630 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.425 -0.894 -3.171 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -3.348 -0.345 -1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -4.927 -0.603 -2.262 1.00 0.00 H new ATOM 1338 N GLN A 88 -4.850 4.488 -1.682 1.00 0.00 N ATOM 1339 CA GLN A 88 -5.147 5.829 -2.173 1.00 0.00 C ATOM 1340 C GLN A 88 -4.199 6.855 -1.563 1.00 0.00 C ATOM 1341 O GLN A 88 -3.483 6.562 -0.604 1.00 0.00 O ATOM 1342 CB GLN A 88 -6.596 6.202 -1.853 1.00 0.00 C ATOM 1343 CG GLN A 88 -6.834 6.510 -0.384 1.00 0.00 C ATOM 1344 CD GLN A 88 -8.221 7.065 -0.122 1.00 0.00 C ATOM 1345 OE1 GLN A 88 -8.372 8.201 0.330 1.00 0.00 O ATOM 1346 NE2 GLN A 88 -9.242 6.266 -0.405 1.00 0.00 N ATOM 0 H GLN A 88 -4.600 4.446 -0.694 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.008 5.832 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.879 7.070 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -7.249 5.383 -2.154 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.694 5.601 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -6.089 7.228 -0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.071 5.332 -0.778 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.198 6.586 -0.250 1.00 0.00 H new ATOM 1355 N VAL A 89 -4.197 8.060 -2.124 1.00 0.00 N ATOM 1356 CA VAL A 89 -3.337 9.131 -1.635 1.00 0.00 C ATOM 1357 C VAL A 89 -3.574 9.392 -0.152 1.00 0.00 C ATOM 1358 O VAL A 89 -4.678 9.193 0.355 1.00 0.00 O ATOM 1359 CB VAL A 89 -3.567 10.437 -2.418 1.00 0.00 C ATOM 1360 CG1 VAL A 89 -2.591 11.512 -1.962 1.00 0.00 C ATOM 1361 CG2 VAL A 89 -3.439 10.191 -3.914 1.00 0.00 C ATOM 0 H VAL A 89 -4.782 8.319 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.308 8.804 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.579 10.788 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.768 12.428 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.735 11.707 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.570 11.172 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.605 11.125 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.440 9.816 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.181 9.456 -4.227 1.00 0.00 H new