USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 CYS SG : rot 180:sc= -0.107 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.112) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -133:sc= -1.75 (180deg=-2.33!) USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= -0.684 (180deg=-1.95!) USER MOD Single : A 25 LYS NZ :NH3+ -106:sc= -0.62 (180deg=-1.24) USER MOD Single : A 27 ASN : amide:sc= -2.24! C(o=-2.2!,f=-5.8!) USER MOD Single : A 29 MET CE :methyl -169:sc= 0 (180deg=-0.0846) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 40:sc= 0.388 USER MOD Single : A 42 HIS : no HD1:sc= -2.91! K(o=-2.9!,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.102 K(o=0.1,f=-2.4!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -109:sc= 0.313 USER MOD Single : A 63 SER OG : rot -125:sc= -0.64 USER MOD Single : A 67 HIS : no HD1:sc= -3.28 K(o=-3.3,f=-3.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -159:sc= 1.57 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.486 0.245 -1.307 1.00 0.00 N ATOM 158 CA PHE A 14 14.224 -0.482 -1.239 1.00 0.00 C ATOM 159 C PHE A 14 14.454 -1.935 -0.833 1.00 0.00 C ATOM 160 O PHE A 14 15.520 -2.497 -1.081 1.00 0.00 O ATOM 161 CB PHE A 14 13.504 -0.424 -2.588 1.00 0.00 C ATOM 162 CG PHE A 14 12.799 0.878 -2.837 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.513 2.063 -2.922 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.422 0.918 -2.985 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.868 3.263 -3.151 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.771 2.116 -3.214 1.00 0.00 C ATOM 167 CZ PHE A 14 11.495 3.290 -3.296 1.00 0.00 C ATOM 0 HA PHE A 14 13.600 -0.007 -0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 14 14.228 -0.594 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.779 -1.236 -2.639 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.587 2.048 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.851 0.004 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.437 4.179 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.697 2.134 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.988 4.227 -3.473 1.00 0.00 H new ATOM 177 N GLN A 15 13.446 -2.535 -0.209 1.00 0.00 N ATOM 178 CA GLN A 15 13.539 -3.922 0.232 1.00 0.00 C ATOM 179 C GLN A 15 12.455 -4.774 -0.419 1.00 0.00 C ATOM 180 O GLN A 15 11.431 -4.258 -0.870 1.00 0.00 O ATOM 181 CB GLN A 15 13.422 -4.004 1.755 1.00 0.00 C ATOM 182 CG GLN A 15 14.453 -3.163 2.491 1.00 0.00 C ATOM 183 CD GLN A 15 14.173 -3.064 3.977 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.956 -1.975 4.508 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.175 -4.204 4.658 1.00 0.00 N ATOM 0 H GLN A 15 12.556 -2.083 0.003 1.00 0.00 H new ATOM 0 HA GLN A 15 14.512 -4.309 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.424 -3.682 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.527 -5.044 2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.443 -3.594 2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.473 -2.161 2.061 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.360 -5.085 4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.992 -4.199 5.661 1.00 0.00 H new ATOM 194 N LYS A 16 12.685 -6.081 -0.467 1.00 0.00 N ATOM 195 CA LYS A 16 11.729 -7.007 -1.062 1.00 0.00 C ATOM 196 C LYS A 16 10.751 -7.528 -0.014 1.00 0.00 C ATOM 197 O LYS A 16 11.094 -7.654 1.162 1.00 0.00 O ATOM 198 CB LYS A 16 12.462 -8.179 -1.718 1.00 0.00 C ATOM 199 CG LYS A 16 12.870 -7.913 -3.157 1.00 0.00 C ATOM 200 CD LYS A 16 14.126 -8.681 -3.531 1.00 0.00 C ATOM 201 CE LYS A 16 13.806 -10.113 -3.932 1.00 0.00 C ATOM 202 NZ LYS A 16 13.777 -11.025 -2.756 1.00 0.00 N ATOM 0 H LYS A 16 13.527 -6.524 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 16 11.165 -6.468 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.352 -8.412 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.821 -9.060 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.057 -8.196 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.040 -6.845 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.631 -8.176 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.816 -8.684 -2.688 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.841 -10.141 -4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.550 -10.465 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.514 -11.751 -2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.951 -10.478 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.846 -11.483 -2.695 1.00 0.00 H new ATOM 216 N LYS A 17 9.531 -7.830 -0.447 1.00 0.00 N ATOM 217 CA LYS A 17 8.504 -8.340 0.453 1.00 0.00 C ATOM 218 C LYS A 17 8.010 -7.244 1.392 1.00 0.00 C ATOM 219 O LYS A 17 7.559 -7.522 2.502 1.00 0.00 O ATOM 220 CB LYS A 17 9.048 -9.516 1.267 1.00 0.00 C ATOM 221 CG LYS A 17 9.831 -10.519 0.437 1.00 0.00 C ATOM 222 CD LYS A 17 10.105 -11.794 1.217 1.00 0.00 C ATOM 223 CE LYS A 17 11.022 -12.732 0.447 1.00 0.00 C ATOM 224 NZ LYS A 17 10.263 -13.598 -0.497 1.00 0.00 N ATOM 0 H LYS A 17 9.230 -7.730 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 17 7.664 -8.682 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.691 -9.132 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.216 -10.028 1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.273 -10.758 -0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.775 -10.074 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.560 -11.545 2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.164 -12.299 1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.757 -12.148 -0.107 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.575 -13.357 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.923 -14.223 -1.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.579 -14.174 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.756 -13.003 -1.183 1.00 0.00 H new ATOM 238 N MET A 18 8.097 -5.998 0.937 1.00 0.00 N ATOM 239 CA MET A 18 7.655 -4.861 1.736 1.00 0.00 C ATOM 240 C MET A 18 6.415 -4.216 1.126 1.00 0.00 C ATOM 241 O MET A 18 5.939 -4.637 0.072 1.00 0.00 O ATOM 242 CB MET A 18 8.777 -3.827 1.853 1.00 0.00 C ATOM 243 CG MET A 18 8.974 -2.999 0.593 1.00 0.00 C ATOM 244 SD MET A 18 10.274 -1.762 0.772 1.00 0.00 S ATOM 245 CE MET A 18 9.601 -0.421 -0.206 1.00 0.00 C ATOM 0 H MET A 18 8.469 -5.750 0.020 1.00 0.00 H new ATOM 0 HA MET A 18 7.400 -5.225 2.731 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.559 -3.159 2.686 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.709 -4.340 2.091 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.219 -3.661 -0.238 1.00 0.00 H new ATOM 0 HG3 MET A 18 8.038 -2.502 0.339 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.373 -0.033 -0.871 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.763 -0.788 -0.798 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.257 0.375 0.455 1.00 0.00 H new ATOM 255 N LYS A 19 5.895 -3.193 1.796 1.00 0.00 N ATOM 256 CA LYS A 19 4.710 -2.489 1.320 1.00 0.00 C ATOM 257 C LYS A 19 5.025 -1.024 1.036 1.00 0.00 C ATOM 258 O LYS A 19 5.807 -0.396 1.753 1.00 0.00 O ATOM 259 CB LYS A 19 3.584 -2.589 2.351 1.00 0.00 C ATOM 260 CG LYS A 19 2.913 -3.951 2.388 1.00 0.00 C ATOM 261 CD LYS A 19 2.104 -4.209 1.128 1.00 0.00 C ATOM 262 CE LYS A 19 1.324 -5.511 1.223 1.00 0.00 C ATOM 263 NZ LYS A 19 0.070 -5.466 0.421 1.00 0.00 N ATOM 0 H LYS A 19 6.276 -2.833 2.671 1.00 0.00 H new ATOM 0 HA LYS A 19 4.387 -2.959 0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.986 -2.364 3.339 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.834 -1.829 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.670 -4.727 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.261 -4.013 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.414 -3.382 0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.771 -4.246 0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.948 -6.334 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.081 -5.713 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.236 -6.435 0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.673 -4.984 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.242 -4.947 -0.464 1.00 0.00 H new ATOM 277 N LEU A 20 4.413 -0.484 -0.011 1.00 0.00 N ATOM 278 CA LEU A 20 4.626 0.909 -0.389 1.00 0.00 C ATOM 279 C LEU A 20 3.500 1.409 -1.287 1.00 0.00 C ATOM 280 O LEU A 20 2.999 0.673 -2.137 1.00 0.00 O ATOM 281 CB LEU A 20 5.971 1.064 -1.102 1.00 0.00 C ATOM 282 CG LEU A 20 5.938 0.952 -2.627 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.719 2.318 -3.258 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.224 0.323 -3.143 1.00 0.00 C ATOM 0 H LEU A 20 3.764 -0.990 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 20 4.632 1.510 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.390 2.035 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.654 0.307 -0.717 1.00 0.00 H new ATOM 0 HG LEU A 20 5.104 0.308 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.698 2.218 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.771 2.730 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.531 2.986 -2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.183 0.251 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.074 0.941 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.338 -0.674 -2.717 1.00 0.00 H new ATOM 296 N GLU A 21 3.109 2.665 -1.095 1.00 0.00 N ATOM 297 CA GLU A 21 2.043 3.263 -1.889 1.00 0.00 C ATOM 298 C GLU A 21 2.588 3.817 -3.202 1.00 0.00 C ATOM 299 O GLU A 21 3.422 4.723 -3.208 1.00 0.00 O ATOM 300 CB GLU A 21 1.352 4.377 -1.100 1.00 0.00 C ATOM 301 CG GLU A 21 0.645 3.887 0.152 1.00 0.00 C ATOM 302 CD GLU A 21 0.104 5.024 0.999 1.00 0.00 C ATOM 303 OE1 GLU A 21 0.611 6.157 0.863 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.824 4.780 1.797 1.00 0.00 O ATOM 0 H GLU A 21 3.515 3.288 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 21 1.315 2.485 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.093 5.125 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.627 4.873 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.176 3.229 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.338 3.293 0.748 1.00 0.00 H new ATOM 311 N VAL A 22 2.111 3.266 -4.314 1.00 0.00 N ATOM 312 CA VAL A 22 2.550 3.704 -5.634 1.00 0.00 C ATOM 313 C VAL A 22 1.445 4.470 -6.353 1.00 0.00 C ATOM 314 O VAL A 22 0.267 4.128 -6.247 1.00 0.00 O ATOM 315 CB VAL A 22 2.985 2.512 -6.506 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.243 2.961 -7.935 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.218 1.844 -5.917 1.00 0.00 C ATOM 0 H VAL A 22 1.420 2.515 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 22 3.405 4.362 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 22 2.176 1.781 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.549 2.105 -8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.332 3.389 -8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.033 3.712 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.512 1.004 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.034 2.565 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.992 1.485 -4.913 1.00 0.00 H new ATOM 327 N VAL A 23 1.833 5.508 -7.087 1.00 0.00 N ATOM 328 CA VAL A 23 0.876 6.322 -7.827 1.00 0.00 C ATOM 329 C VAL A 23 0.635 5.755 -9.222 1.00 0.00 C ATOM 330 O VAL A 23 1.548 5.699 -10.047 1.00 0.00 O ATOM 331 CB VAL A 23 1.358 7.779 -7.953 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.399 8.586 -8.815 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.511 8.410 -6.577 1.00 0.00 C ATOM 0 H VAL A 23 2.804 5.805 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.057 6.303 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 23 2.334 7.780 -8.439 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.756 9.613 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.345 8.144 -9.810 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.592 8.580 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.852 9.440 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.550 8.398 -6.062 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.240 7.845 -5.997 1.00 0.00 H new ATOM 343 N ASP A 24 -0.599 5.336 -9.479 1.00 0.00 N ATOM 344 CA ASP A 24 -0.961 4.775 -10.776 1.00 0.00 C ATOM 345 C ASP A 24 -0.577 5.725 -11.906 1.00 0.00 C ATOM 346 O ASP A 24 -1.066 6.853 -11.976 1.00 0.00 O ATOM 347 CB ASP A 24 -2.461 4.482 -10.827 1.00 0.00 C ATOM 348 CG ASP A 24 -2.792 3.314 -11.735 1.00 0.00 C ATOM 349 OD1 ASP A 24 -1.904 2.463 -11.956 1.00 0.00 O ATOM 350 OD2 ASP A 24 -3.939 3.249 -12.224 1.00 0.00 O ATOM 0 H ASP A 24 -1.365 5.374 -8.807 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.411 3.843 -10.907 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.821 4.269 -9.820 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.990 5.370 -11.174 1.00 0.00 H new ATOM 355 N LYS A 25 0.302 5.263 -12.788 1.00 0.00 N ATOM 356 CA LYS A 25 0.753 6.070 -13.915 1.00 0.00 C ATOM 357 C LYS A 25 -0.434 6.628 -14.694 1.00 0.00 C ATOM 358 O LYS A 25 -0.576 7.842 -14.842 1.00 0.00 O ATOM 359 CB LYS A 25 1.639 5.237 -14.844 1.00 0.00 C ATOM 360 CG LYS A 25 2.531 4.251 -14.110 1.00 0.00 C ATOM 361 CD LYS A 25 3.246 4.909 -12.941 1.00 0.00 C ATOM 362 CE LYS A 25 4.443 5.724 -13.407 1.00 0.00 C ATOM 363 NZ LYS A 25 4.755 6.837 -12.469 1.00 0.00 N ATOM 0 H LYS A 25 0.717 4.332 -12.744 1.00 0.00 H new ATOM 0 HA LYS A 25 1.333 6.905 -13.522 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.006 4.691 -15.543 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.262 5.907 -15.436 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.931 3.416 -13.748 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.266 3.839 -14.802 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.551 5.555 -12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.577 4.144 -12.238 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.312 5.073 -13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.242 6.130 -14.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.459 7.740 -12.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.246 6.690 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.778 6.860 -12.286 1.00 0.00 H new ATOM 377 N ARG A 26 -1.285 5.735 -15.187 1.00 0.00 N ATOM 378 CA ARG A 26 -2.460 6.139 -15.950 1.00 0.00 C ATOM 379 C ARG A 26 -3.344 7.076 -15.132 1.00 0.00 C ATOM 380 O ARG A 26 -3.994 7.966 -15.678 1.00 0.00 O ATOM 381 CB ARG A 26 -3.263 4.909 -16.380 1.00 0.00 C ATOM 382 CG ARG A 26 -3.623 3.984 -15.228 1.00 0.00 C ATOM 383 CD ARG A 26 -2.670 2.802 -15.145 1.00 0.00 C ATOM 384 NE ARG A 26 -3.169 1.644 -15.881 1.00 0.00 N ATOM 385 CZ ARG A 26 -2.515 0.491 -15.968 1.00 0.00 C ATOM 386 NH1 ARG A 26 -1.343 0.343 -15.366 1.00 0.00 N ATOM 387 NH2 ARG A 26 -3.034 -0.517 -16.657 1.00 0.00 N ATOM 0 H ARG A 26 -1.183 4.727 -15.072 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.120 6.671 -16.838 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.179 5.237 -16.871 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.688 4.350 -17.118 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.597 4.540 -14.291 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.643 3.622 -15.355 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.697 3.092 -15.542 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.520 2.530 -14.100 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.069 1.725 -16.354 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.942 1.115 -14.835 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.843 -0.543 -15.434 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.936 -0.407 -17.121 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.531 -1.402 -16.723 1.00 0.00 H new ATOM 401 N ASN A 27 -3.362 6.868 -13.819 1.00 0.00 N ATOM 402 CA ASN A 27 -4.166 7.694 -12.926 1.00 0.00 C ATOM 403 C ASN A 27 -3.322 8.230 -11.774 1.00 0.00 C ATOM 404 O ASN A 27 -3.155 7.583 -10.740 1.00 0.00 O ATOM 405 CB ASN A 27 -5.345 6.888 -12.377 1.00 0.00 C ATOM 406 CG ASN A 27 -6.022 6.053 -13.446 1.00 0.00 C ATOM 407 OD1 ASN A 27 -5.827 6.276 -14.641 1.00 0.00 O ATOM 408 ND2 ASN A 27 -6.824 5.083 -13.020 1.00 0.00 N ATOM 0 H ASN A 27 -2.829 6.135 -13.351 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.547 8.540 -13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.994 6.235 -11.578 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.073 7.569 -11.936 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.307 4.488 -13.693 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.957 4.933 -12.020 1.00 0.00 H new ATOM 415 N PRO A 28 -2.777 9.443 -11.954 1.00 0.00 N ATOM 416 CA PRO A 28 -1.942 10.094 -10.940 1.00 0.00 C ATOM 417 C PRO A 28 -2.746 10.529 -9.719 1.00 0.00 C ATOM 418 O PRO A 28 -2.187 11.023 -8.741 1.00 0.00 O ATOM 419 CB PRO A 28 -1.381 11.315 -11.674 1.00 0.00 C ATOM 420 CG PRO A 28 -2.376 11.604 -12.744 1.00 0.00 C ATOM 421 CD PRO A 28 -2.934 10.271 -13.161 1.00 0.00 C ATOM 0 HA PRO A 28 -1.175 9.424 -10.551 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.267 12.164 -11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.397 11.107 -12.094 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.165 12.260 -12.376 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.907 12.112 -13.587 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.979 10.349 -13.462 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.389 9.854 -14.008 1.00 0.00 H new ATOM 429 N MET A 29 -4.060 10.341 -9.784 1.00 0.00 N ATOM 430 CA MET A 29 -4.940 10.713 -8.682 1.00 0.00 C ATOM 431 C MET A 29 -5.462 9.474 -7.961 1.00 0.00 C ATOM 432 O MET A 29 -6.438 9.544 -7.215 1.00 0.00 O ATOM 433 CB MET A 29 -6.113 11.549 -9.198 1.00 0.00 C ATOM 434 CG MET A 29 -7.183 10.728 -9.899 1.00 0.00 C ATOM 435 SD MET A 29 -6.785 10.399 -11.627 1.00 0.00 S ATOM 436 CE MET A 29 -7.173 11.981 -12.371 1.00 0.00 C ATOM 0 H MET A 29 -4.539 9.934 -10.587 1.00 0.00 H new ATOM 0 HA MET A 29 -4.363 11.308 -7.974 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.565 12.081 -8.361 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.735 12.303 -9.888 1.00 0.00 H new ATOM 0 HG2 MET A 29 -7.312 9.782 -9.373 1.00 0.00 H new ATOM 0 HG3 MET A 29 -8.135 11.256 -9.844 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.167 11.884 -13.457 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.160 12.306 -12.041 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.428 12.718 -12.069 1.00 0.00 H new ATOM 446 N PHE A 30 -4.805 8.342 -8.190 1.00 0.00 N ATOM 447 CA PHE A 30 -5.204 7.087 -7.563 1.00 0.00 C ATOM 448 C PHE A 30 -3.989 6.340 -7.019 1.00 0.00 C ATOM 449 O PHE A 30 -3.149 5.862 -7.782 1.00 0.00 O ATOM 450 CB PHE A 30 -5.951 6.206 -8.567 1.00 0.00 C ATOM 451 CG PHE A 30 -7.404 6.559 -8.709 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.813 7.507 -9.634 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.361 5.943 -7.919 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.149 7.834 -9.766 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.699 6.266 -8.048 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.093 7.212 -8.973 1.00 0.00 C ATOM 0 H PHE A 30 -3.994 8.268 -8.805 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.868 7.320 -6.730 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.468 6.289 -9.541 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.867 5.164 -8.257 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.079 7.995 -10.258 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.058 5.202 -7.194 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.455 8.576 -10.489 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.435 5.779 -7.426 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.138 7.465 -9.076 1.00 0.00 H new ATOM 466 N ILE A 31 -3.904 6.246 -5.697 1.00 0.00 N ATOM 467 CA ILE A 31 -2.793 5.558 -5.051 1.00 0.00 C ATOM 468 C ILE A 31 -3.263 4.282 -4.362 1.00 0.00 C ATOM 469 O ILE A 31 -4.245 4.291 -3.618 1.00 0.00 O ATOM 470 CB ILE A 31 -2.098 6.461 -4.015 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.515 7.701 -4.696 1.00 0.00 C ATOM 472 CG2 ILE A 31 -1.008 5.689 -3.286 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.327 8.873 -3.759 1.00 0.00 C ATOM 0 H ILE A 31 -4.591 6.637 -5.052 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.080 5.303 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.838 6.785 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.553 7.443 -5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.173 8.000 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.526 6.341 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.449 4.834 -2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.267 5.338 -4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.910 9.716 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.290 9.157 -3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.645 8.592 -2.956 1.00 0.00 H new ATOM 485 N ARG A 32 -2.556 3.185 -4.613 1.00 0.00 N ATOM 486 CA ARG A 32 -2.900 1.900 -4.016 1.00 0.00 C ATOM 487 C ARG A 32 -1.674 1.249 -3.383 1.00 0.00 C ATOM 488 O ARG A 32 -0.541 1.662 -3.631 1.00 0.00 O ATOM 489 CB ARG A 32 -3.499 0.968 -5.071 1.00 0.00 C ATOM 490 CG ARG A 32 -4.830 1.450 -5.625 1.00 0.00 C ATOM 491 CD ARG A 32 -5.280 0.606 -6.806 1.00 0.00 C ATOM 492 NE ARG A 32 -6.327 1.265 -7.583 1.00 0.00 N ATOM 493 CZ ARG A 32 -6.084 2.177 -8.518 1.00 0.00 C ATOM 494 NH1 ARG A 32 -4.837 2.536 -8.791 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.090 2.732 -9.182 1.00 0.00 N ATOM 0 H ARG A 32 -1.741 3.160 -5.226 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.640 2.076 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.791 0.860 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.634 -0.022 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.586 1.413 -4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.741 2.492 -5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.426 0.400 -7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.647 -0.355 -6.446 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.297 1.011 -7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.061 2.112 -8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.654 3.236 -9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.051 2.458 -8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.903 3.432 -9.900 1.00 0.00 H new ATOM 509 N VAL A 33 -1.909 0.228 -2.564 1.00 0.00 N ATOM 510 CA VAL A 33 -0.824 -0.481 -1.896 1.00 0.00 C ATOM 511 C VAL A 33 -0.011 -1.303 -2.890 1.00 0.00 C ATOM 512 O VAL A 33 -0.562 -1.906 -3.810 1.00 0.00 O ATOM 513 CB VAL A 33 -1.359 -1.413 -0.792 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.295 -2.419 -0.381 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.830 -0.603 0.406 1.00 0.00 C ATOM 0 H VAL A 33 -2.841 -0.126 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.182 0.275 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.212 -1.964 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.691 -3.069 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.010 -3.021 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.580 -1.890 -0.003 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.205 -1.277 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.997 -0.024 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.627 0.074 0.097 1.00 0.00 H new ATOM 525 N ALA A 34 1.304 -1.322 -2.697 1.00 0.00 N ATOM 526 CA ALA A 34 2.194 -2.072 -3.574 1.00 0.00 C ATOM 527 C ALA A 34 3.098 -3.003 -2.774 1.00 0.00 C ATOM 528 O ALA A 34 3.243 -2.853 -1.560 1.00 0.00 O ATOM 529 CB ALA A 34 3.028 -1.120 -4.418 1.00 0.00 C ATOM 0 H ALA A 34 1.776 -0.826 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 34 1.581 -2.684 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.688 -1.694 -5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.369 -0.500 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.625 -0.483 -3.765 1.00 0.00 H new ATOM 535 N THR A 35 3.705 -3.966 -3.461 1.00 0.00 N ATOM 536 CA THR A 35 4.593 -4.923 -2.813 1.00 0.00 C ATOM 537 C THR A 35 5.841 -5.170 -3.653 1.00 0.00 C ATOM 538 O THR A 35 5.774 -5.787 -4.717 1.00 0.00 O ATOM 539 CB THR A 35 3.884 -6.267 -2.560 1.00 0.00 C ATOM 540 OG1 THR A 35 2.756 -6.071 -1.700 1.00 0.00 O ATOM 541 CG2 THR A 35 4.838 -7.273 -1.934 1.00 0.00 C ATOM 0 H THR A 35 3.598 -4.104 -4.466 1.00 0.00 H new ATOM 0 HA THR A 35 4.882 -4.488 -1.856 1.00 0.00 H new ATOM 0 HB THR A 35 3.545 -6.660 -3.518 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.310 -6.930 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.315 -8.214 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.680 -7.442 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.203 -6.885 -0.983 1.00 0.00 H new ATOM 549 N VAL A 36 6.980 -4.686 -3.169 1.00 0.00 N ATOM 550 CA VAL A 36 8.245 -4.856 -3.875 1.00 0.00 C ATOM 551 C VAL A 36 8.566 -6.333 -4.078 1.00 0.00 C ATOM 552 O VAL A 36 9.002 -7.016 -3.152 1.00 0.00 O ATOM 553 CB VAL A 36 9.406 -4.189 -3.115 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.666 -4.177 -3.968 1.00 0.00 C ATOM 555 CG2 VAL A 36 9.025 -2.778 -2.693 1.00 0.00 C ATOM 0 H VAL A 36 7.053 -4.173 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 36 8.133 -4.374 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 36 9.610 -4.770 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.476 -3.702 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.948 -5.200 -4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.479 -3.620 -4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.857 -2.321 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.793 -2.184 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.152 -2.816 -2.042 1.00 0.00 H new ATOM 565 N ALA A 37 8.349 -6.818 -5.296 1.00 0.00 N ATOM 566 CA ALA A 37 8.618 -8.213 -5.622 1.00 0.00 C ATOM 567 C ALA A 37 10.093 -8.427 -5.942 1.00 0.00 C ATOM 568 O ALA A 37 10.732 -9.328 -5.397 1.00 0.00 O ATOM 569 CB ALA A 37 7.752 -8.659 -6.791 1.00 0.00 C ATOM 0 H ALA A 37 7.988 -6.265 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 37 8.371 -8.818 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.964 -9.703 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.700 -8.552 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.971 -8.042 -7.662 1.00 0.00 H new ATOM 575 N ASP A 38 10.628 -7.595 -6.829 1.00 0.00 N ATOM 576 CA ASP A 38 12.029 -7.694 -7.222 1.00 0.00 C ATOM 577 C ASP A 38 12.664 -6.310 -7.321 1.00 0.00 C ATOM 578 O ASP A 38 12.119 -5.409 -7.960 1.00 0.00 O ATOM 579 CB ASP A 38 12.155 -8.424 -8.559 1.00 0.00 C ATOM 580 CG ASP A 38 13.470 -9.168 -8.691 1.00 0.00 C ATOM 581 OD1 ASP A 38 13.615 -10.232 -8.053 1.00 0.00 O ATOM 582 OD2 ASP A 38 14.354 -8.687 -9.430 1.00 0.00 O ATOM 0 H ASP A 38 10.113 -6.845 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 38 12.557 -8.262 -6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.330 -9.129 -8.664 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.065 -7.704 -9.373 1.00 0.00 H new ATOM 587 N THR A 39 13.819 -6.148 -6.684 1.00 0.00 N ATOM 588 CA THR A 39 14.527 -4.874 -6.699 1.00 0.00 C ATOM 589 C THR A 39 15.659 -4.886 -7.720 1.00 0.00 C ATOM 590 O THR A 39 16.667 -5.568 -7.537 1.00 0.00 O ATOM 591 CB THR A 39 15.106 -4.537 -5.312 1.00 0.00 C ATOM 592 OG1 THR A 39 15.872 -5.642 -4.819 1.00 0.00 O ATOM 593 CG2 THR A 39 13.995 -4.204 -4.328 1.00 0.00 C ATOM 0 H THR A 39 14.284 -6.883 -6.151 1.00 0.00 H new ATOM 0 HA THR A 39 13.799 -4.111 -6.976 1.00 0.00 H new ATOM 0 HB THR A 39 15.752 -3.665 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.387 -6.037 -5.553 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.428 -3.969 -3.356 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.433 -3.344 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.327 -5.060 -4.231 1.00 0.00 H new ATOM 601 N ASP A 40 15.486 -4.126 -8.796 1.00 0.00 N ATOM 602 CA ASP A 40 16.494 -4.047 -9.847 1.00 0.00 C ATOM 603 C ASP A 40 17.657 -3.157 -9.419 1.00 0.00 C ATOM 604 O ASP A 40 17.707 -2.689 -8.281 1.00 0.00 O ATOM 605 CB ASP A 40 15.875 -3.513 -11.139 1.00 0.00 C ATOM 606 CG ASP A 40 16.565 -4.050 -12.377 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.199 -5.122 -12.285 1.00 0.00 O ATOM 608 OD2 ASP A 40 16.469 -3.400 -13.439 1.00 0.00 O ATOM 0 H ASP A 40 14.657 -3.556 -8.963 1.00 0.00 H new ATOM 0 HA ASP A 40 16.876 -5.052 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.819 -3.781 -11.170 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.928 -2.424 -11.141 1.00 0.00 H new ATOM 613 N ASP A 41 18.589 -2.928 -10.337 1.00 0.00 N ATOM 614 CA ASP A 41 19.751 -2.093 -10.055 1.00 0.00 C ATOM 615 C ASP A 41 19.330 -0.771 -9.421 1.00 0.00 C ATOM 616 O ASP A 41 19.758 -0.436 -8.316 1.00 0.00 O ATOM 617 CB ASP A 41 20.539 -1.829 -11.339 1.00 0.00 C ATOM 618 CG ASP A 41 19.641 -1.472 -12.507 1.00 0.00 C ATOM 619 OD1 ASP A 41 19.318 -0.276 -12.664 1.00 0.00 O ATOM 620 OD2 ASP A 41 19.262 -2.389 -13.265 1.00 0.00 O ATOM 0 H ASP A 41 18.563 -3.309 -11.283 1.00 0.00 H new ATOM 0 HA ASP A 41 20.388 -2.626 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.246 -1.018 -11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.124 -2.714 -11.591 1.00 0.00 H new ATOM 625 N HIS A 42 18.489 -0.023 -10.128 1.00 0.00 N ATOM 626 CA HIS A 42 18.011 1.264 -9.635 1.00 0.00 C ATOM 627 C HIS A 42 16.486 1.309 -9.626 1.00 0.00 C ATOM 628 O HIS A 42 15.886 2.269 -9.143 1.00 0.00 O ATOM 629 CB HIS A 42 18.561 2.401 -10.496 1.00 0.00 C ATOM 630 CG HIS A 42 19.946 2.149 -11.007 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.039 2.001 -10.179 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.413 2.017 -12.271 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.118 1.791 -10.911 1.00 0.00 C ATOM 634 NE2 HIS A 42 21.765 1.795 -12.184 1.00 0.00 N ATOM 0 H HIS A 42 18.125 -0.286 -11.044 1.00 0.00 H new ATOM 0 HA HIS A 42 18.367 1.388 -8.612 1.00 0.00 H new ATOM 0 HB2 HIS A 42 17.893 2.560 -11.343 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.560 3.321 -9.912 1.00 0.00 H new ATOM 0 HD2 HIS A 42 19.830 2.075 -13.179 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.119 1.641 -10.533 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.395 1.656 -12.974 1.00 0.00 H new ATOM 643 N ARG A 43 15.864 0.264 -10.164 1.00 0.00 N ATOM 644 CA ARG A 43 14.410 0.186 -10.220 1.00 0.00 C ATOM 645 C ARG A 43 13.890 -0.924 -9.310 1.00 0.00 C ATOM 646 O ARG A 43 14.656 -1.765 -8.839 1.00 0.00 O ATOM 647 CB ARG A 43 13.945 -0.059 -11.657 1.00 0.00 C ATOM 648 CG ARG A 43 14.479 0.960 -12.650 1.00 0.00 C ATOM 649 CD ARG A 43 13.631 1.004 -13.912 1.00 0.00 C ATOM 650 NE ARG A 43 14.340 1.628 -15.026 1.00 0.00 N ATOM 651 CZ ARG A 43 13.940 1.546 -16.290 1.00 0.00 C ATOM 652 NH1 ARG A 43 12.842 0.870 -16.599 1.00 0.00 N ATOM 653 NH2 ARG A 43 14.639 2.141 -17.249 1.00 0.00 N ATOM 0 H ARG A 43 16.345 -0.540 -10.567 1.00 0.00 H new ATOM 0 HA ARG A 43 14.007 1.137 -9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.259 -1.056 -11.967 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.855 -0.045 -11.685 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.496 1.947 -12.187 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.508 0.712 -12.910 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.341 -0.009 -14.189 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.712 1.556 -13.712 1.00 0.00 H new ATOM 0 HE ARG A 43 15.189 2.156 -14.822 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.302 0.411 -15.865 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.537 0.809 -17.570 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.484 2.662 -17.016 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.331 2.077 -18.219 1.00 0.00 H new ATOM 667 N VAL A 44 12.583 -0.919 -9.067 1.00 0.00 N ATOM 668 CA VAL A 44 11.960 -1.925 -8.215 1.00 0.00 C ATOM 669 C VAL A 44 10.544 -2.240 -8.682 1.00 0.00 C ATOM 670 O VAL A 44 9.706 -1.347 -8.807 1.00 0.00 O ATOM 671 CB VAL A 44 11.914 -1.465 -6.745 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.320 -1.248 -6.209 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.082 -0.198 -6.610 1.00 0.00 C ATOM 0 H VAL A 44 11.935 -0.229 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 44 12.572 -2.824 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 44 11.442 -2.248 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.267 -0.923 -5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.881 -2.181 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.822 -0.484 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.060 0.113 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.524 0.594 -7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.066 -0.392 -6.952 1.00 0.00 H new ATOM 683 N LYS A 45 10.282 -3.517 -8.938 1.00 0.00 N ATOM 684 CA LYS A 45 8.966 -3.954 -9.390 1.00 0.00 C ATOM 685 C LYS A 45 7.929 -3.791 -8.284 1.00 0.00 C ATOM 686 O LYS A 45 8.063 -4.366 -7.204 1.00 0.00 O ATOM 687 CB LYS A 45 9.018 -5.414 -9.844 1.00 0.00 C ATOM 688 CG LYS A 45 7.824 -5.833 -10.684 1.00 0.00 C ATOM 689 CD LYS A 45 8.120 -7.089 -11.486 1.00 0.00 C ATOM 690 CE LYS A 45 7.332 -7.118 -12.787 1.00 0.00 C ATOM 691 NZ LYS A 45 7.145 -8.507 -13.291 1.00 0.00 N ATOM 0 H LYS A 45 10.965 -4.269 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 45 8.673 -3.328 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.930 -5.575 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.077 -6.057 -8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.965 -6.008 -10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.552 -5.023 -11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.187 -7.140 -11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.874 -7.968 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.358 -6.654 -12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.852 -6.525 -13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.604 -8.484 -14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.074 -8.942 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.627 -9.066 -12.584 1.00 0.00 H new ATOM 705 N VAL A 46 6.894 -3.004 -8.560 1.00 0.00 N ATOM 706 CA VAL A 46 5.833 -2.768 -7.589 1.00 0.00 C ATOM 707 C VAL A 46 4.549 -3.485 -7.993 1.00 0.00 C ATOM 708 O VAL A 46 3.945 -3.169 -9.018 1.00 0.00 O ATOM 709 CB VAL A 46 5.540 -1.263 -7.432 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.655 -0.581 -6.655 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.353 -0.613 -8.795 1.00 0.00 C ATOM 0 H VAL A 46 6.768 -2.519 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 46 6.183 -3.164 -6.636 1.00 0.00 H new ATOM 0 HB VAL A 46 4.614 -1.146 -6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.431 0.481 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.736 -1.030 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.598 -0.704 -7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.147 0.450 -8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.261 -0.738 -9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.517 -1.085 -9.311 1.00 0.00 H new ATOM 721 N HIS A 47 4.137 -4.451 -7.178 1.00 0.00 N ATOM 722 CA HIS A 47 2.923 -5.213 -7.450 1.00 0.00 C ATOM 723 C HIS A 47 1.773 -4.737 -6.567 1.00 0.00 C ATOM 724 O HIS A 47 1.922 -4.610 -5.351 1.00 0.00 O ATOM 725 CB HIS A 47 3.171 -6.705 -7.223 1.00 0.00 C ATOM 726 CG HIS A 47 1.916 -7.496 -7.020 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.303 -8.208 -8.030 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.159 -7.688 -5.914 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.222 -8.801 -7.554 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.113 -8.502 -6.273 1.00 0.00 N ATOM 0 H HIS A 47 4.625 -4.724 -6.325 1.00 0.00 H new ATOM 0 HA HIS A 47 2.648 -5.052 -8.492 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.711 -7.110 -8.079 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.814 -6.830 -6.352 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.632 -8.268 -8.993 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.343 -7.277 -4.932 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.457 -9.424 -8.117 1.00 0.00 H new ATOM 739 N PHE A 48 0.628 -4.473 -7.186 1.00 0.00 N ATOM 740 CA PHE A 48 -0.547 -4.008 -6.457 1.00 0.00 C ATOM 741 C PHE A 48 -1.329 -5.184 -5.881 1.00 0.00 C ATOM 742 O PHE A 48 -2.011 -5.907 -6.609 1.00 0.00 O ATOM 743 CB PHE A 48 -1.449 -3.181 -7.375 1.00 0.00 C ATOM 744 CG PHE A 48 -0.912 -1.809 -7.666 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.394 -1.639 -8.097 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.713 -0.689 -7.509 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.891 -0.377 -8.366 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.221 0.574 -7.777 1.00 0.00 C ATOM 749 CZ PHE A 48 0.082 0.731 -8.205 1.00 0.00 C ATOM 0 H PHE A 48 0.488 -4.573 -8.191 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.208 -3.381 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.585 -3.716 -8.315 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.433 -3.087 -6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.031 -2.502 -8.224 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.733 -0.805 -7.173 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.911 -0.258 -8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.856 1.439 -7.652 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.468 1.718 -8.413 1.00 0.00 H new ATOM 759 N ASP A 49 -1.226 -5.370 -4.570 1.00 0.00 N ATOM 760 CA ASP A 49 -1.924 -6.458 -3.894 1.00 0.00 C ATOM 761 C ASP A 49 -3.327 -6.640 -4.464 1.00 0.00 C ATOM 762 O ASP A 49 -4.135 -5.713 -4.458 1.00 0.00 O ATOM 763 CB ASP A 49 -2.001 -6.187 -2.391 1.00 0.00 C ATOM 764 CG ASP A 49 -2.284 -7.443 -1.590 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.444 -8.367 -1.618 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.345 -7.501 -0.934 1.00 0.00 O ATOM 0 H ASP A 49 -0.666 -4.781 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.362 -7.377 -4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.061 -5.749 -2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.782 -5.452 -2.197 1.00 0.00 H new ATOM 771 N GLY A 50 -3.609 -7.842 -4.957 1.00 0.00 N ATOM 772 CA GLY A 50 -4.914 -8.123 -5.525 1.00 0.00 C ATOM 773 C GLY A 50 -4.934 -7.976 -7.034 1.00 0.00 C ATOM 774 O GLY A 50 -5.170 -8.945 -7.755 1.00 0.00 O ATOM 0 H GLY A 50 -2.957 -8.626 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.212 -9.137 -5.258 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.650 -7.448 -5.088 1.00 0.00 H new ATOM 778 N TRP A 51 -4.689 -6.761 -7.511 1.00 0.00 N ATOM 779 CA TRP A 51 -4.681 -6.490 -8.944 1.00 0.00 C ATOM 780 C TRP A 51 -3.827 -7.512 -9.687 1.00 0.00 C ATOM 781 O TRP A 51 -2.769 -7.917 -9.206 1.00 0.00 O ATOM 782 CB TRP A 51 -4.160 -5.078 -9.214 1.00 0.00 C ATOM 783 CG TRP A 51 -5.052 -4.002 -8.673 1.00 0.00 C ATOM 784 CD1 TRP A 51 -5.146 -3.592 -7.374 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.976 -3.201 -9.418 1.00 0.00 C ATOM 786 NE1 TRP A 51 -6.074 -2.584 -7.266 1.00 0.00 N ATOM 787 CE2 TRP A 51 -6.596 -2.325 -8.506 1.00 0.00 C ATOM 788 CE3 TRP A 51 -6.338 -3.137 -10.766 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -7.558 -1.399 -8.900 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -7.293 -2.217 -11.156 1.00 0.00 C ATOM 791 CH2 TRP A 51 -7.894 -1.358 -10.226 1.00 0.00 C ATOM 0 H TRP A 51 -4.493 -5.948 -6.927 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.705 -6.567 -9.309 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -3.169 -4.974 -8.773 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -4.047 -4.940 -10.289 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.575 -4.000 -6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.332 -2.106 -6.403 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.880 -3.794 -11.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.023 -0.737 -8.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -7.581 -2.159 -12.195 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -8.637 -0.650 -10.562 1.00 0.00 H new ATOM 841 N TYR A 55 -0.889 -5.784 -14.377 1.00 0.00 N ATOM 842 CA TYR A 55 -0.904 -4.381 -13.983 1.00 0.00 C ATOM 843 C TYR A 55 0.479 -3.930 -13.522 1.00 0.00 C ATOM 844 O TYR A 55 0.949 -2.854 -13.893 1.00 0.00 O ATOM 845 CB TYR A 55 -1.925 -4.153 -12.867 1.00 0.00 C ATOM 846 CG TYR A 55 -3.320 -3.862 -13.373 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.708 -2.567 -13.691 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.249 -4.883 -13.532 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.982 -2.296 -14.153 1.00 0.00 C ATOM 850 CE2 TYR A 55 -5.524 -4.622 -13.995 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.886 -3.327 -14.303 1.00 0.00 C ATOM 852 OH TYR A 55 -7.156 -3.063 -14.763 1.00 0.00 O ATOM 0 HA TYR A 55 -1.189 -3.789 -14.853 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.956 -5.036 -12.228 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.592 -3.322 -12.246 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.002 -1.758 -13.575 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.970 -5.898 -13.290 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.268 -1.283 -14.395 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.234 -5.427 -14.115 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.666 -3.898 -14.812 1.00 0.00 H new ATOM 862 N ASP A 56 1.125 -4.760 -12.711 1.00 0.00 N ATOM 863 CA ASP A 56 2.455 -4.450 -12.199 1.00 0.00 C ATOM 864 C ASP A 56 3.330 -3.844 -13.292 1.00 0.00 C ATOM 865 O ASP A 56 3.084 -4.047 -14.482 1.00 0.00 O ATOM 866 CB ASP A 56 3.116 -5.710 -11.639 1.00 0.00 C ATOM 867 CG ASP A 56 2.153 -6.559 -10.833 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.138 -6.013 -10.353 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.415 -7.771 -10.682 1.00 0.00 O ATOM 0 H ASP A 56 0.749 -5.653 -12.394 1.00 0.00 H new ATOM 0 HA ASP A 56 2.348 -3.719 -11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.517 -6.302 -12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.959 -5.425 -11.010 1.00 0.00 H new ATOM 874 N TYR A 57 4.351 -3.100 -12.881 1.00 0.00 N ATOM 875 CA TYR A 57 5.260 -2.462 -13.826 1.00 0.00 C ATOM 876 C TYR A 57 6.565 -2.065 -13.142 1.00 0.00 C ATOM 877 O TYR A 57 6.587 -1.771 -11.947 1.00 0.00 O ATOM 878 CB TYR A 57 4.601 -1.230 -14.447 1.00 0.00 C ATOM 879 CG TYR A 57 3.911 -0.339 -13.439 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.644 0.390 -12.511 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.527 -0.225 -13.416 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.017 1.205 -11.587 1.00 0.00 C ATOM 883 CE2 TYR A 57 1.892 0.588 -12.498 1.00 0.00 C ATOM 884 CZ TYR A 57 2.641 1.301 -11.585 1.00 0.00 C ATOM 885 OH TYR A 57 2.014 2.112 -10.668 1.00 0.00 O ATOM 0 H TYR A 57 4.570 -2.924 -11.900 1.00 0.00 H new ATOM 0 HA TYR A 57 5.487 -3.180 -14.614 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.359 -0.650 -14.974 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.873 -1.554 -15.191 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.722 0.319 -12.511 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.937 -0.782 -14.129 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.601 1.763 -10.871 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.815 0.665 -12.495 1.00 0.00 H new ATOM 0 HH TYR A 57 1.557 1.559 -10.000 1.00 0.00 H new ATOM 895 N TRP A 58 7.649 -2.058 -13.909 1.00 0.00 N ATOM 896 CA TRP A 58 8.958 -1.697 -13.378 1.00 0.00 C ATOM 897 C TRP A 58 9.065 -0.190 -13.172 1.00 0.00 C ATOM 898 O TRP A 58 9.161 0.572 -14.135 1.00 0.00 O ATOM 899 CB TRP A 58 10.063 -2.174 -14.321 1.00 0.00 C ATOM 900 CG TRP A 58 10.494 -3.587 -14.065 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.231 -4.678 -14.843 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.261 -4.060 -12.952 1.00 0.00 C ATOM 903 NE1 TRP A 58 10.789 -5.801 -14.282 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.427 -5.449 -13.122 1.00 0.00 C ATOM 905 CE3 TRP A 58 11.825 -3.446 -11.831 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.132 -6.230 -12.211 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.525 -4.224 -10.928 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.674 -5.603 -11.122 1.00 0.00 C ATOM 0 H TRP A 58 7.647 -2.298 -14.900 1.00 0.00 H new ATOM 0 HA TRP A 58 9.078 -2.187 -12.412 1.00 0.00 H new ATOM 0 HB2 TRP A 58 9.714 -2.089 -15.350 1.00 0.00 H new ATOM 0 HB3 TRP A 58 10.925 -1.515 -14.221 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.667 -4.661 -15.764 1.00 0.00 H new ATOM 0 HE1 TRP A 58 10.737 -6.744 -14.667 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.716 -2.383 -11.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.247 -7.294 -12.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 12.965 -3.760 -10.057 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.227 -6.183 -10.398 1.00 0.00 H new ATOM 919 N ILE A 59 9.047 0.234 -11.913 1.00 0.00 N ATOM 920 CA ILE A 59 9.143 1.650 -11.583 1.00 0.00 C ATOM 921 C ILE A 59 10.464 1.964 -10.888 1.00 0.00 C ATOM 922 O ILE A 59 10.996 1.142 -10.142 1.00 0.00 O ATOM 923 CB ILE A 59 7.980 2.098 -10.677 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.872 3.624 -10.666 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.174 1.564 -9.265 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.568 4.132 -10.092 1.00 0.00 C ATOM 0 H ILE A 59 8.967 -0.383 -11.105 1.00 0.00 H new ATOM 0 HA ILE A 59 9.091 2.197 -12.524 1.00 0.00 H new ATOM 0 HB ILE A 59 7.050 1.690 -11.074 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.699 4.035 -10.087 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.981 3.995 -11.685 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.345 1.888 -8.636 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.206 0.475 -9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.110 1.946 -8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.560 5.222 -10.115 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.736 3.750 -10.685 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.466 3.790 -9.062 1.00 0.00 H new ATOM 938 N ASP A 60 10.987 3.160 -11.137 1.00 0.00 N ATOM 939 CA ASP A 60 12.244 3.585 -10.533 1.00 0.00 C ATOM 940 C ASP A 60 12.079 3.808 -9.033 1.00 0.00 C ATOM 941 O ASP A 60 11.212 4.566 -8.600 1.00 0.00 O ATOM 942 CB ASP A 60 12.747 4.867 -11.199 1.00 0.00 C ATOM 943 CG ASP A 60 13.120 4.655 -12.653 1.00 0.00 C ATOM 944 OD1 ASP A 60 14.279 4.272 -12.919 1.00 0.00 O ATOM 945 OD2 ASP A 60 12.253 4.873 -13.525 1.00 0.00 O ATOM 0 H ASP A 60 10.560 3.852 -11.753 1.00 0.00 H new ATOM 0 HA ASP A 60 12.977 2.793 -10.686 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.976 5.634 -11.133 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.615 5.240 -10.655 1.00 0.00 H new ATOM 950 N ALA A 61 12.916 3.141 -8.245 1.00 0.00 N ATOM 951 CA ALA A 61 12.863 3.267 -6.794 1.00 0.00 C ATOM 952 C ALA A 61 13.161 4.697 -6.355 1.00 0.00 C ATOM 953 O ALA A 61 12.938 5.061 -5.201 1.00 0.00 O ATOM 954 CB ALA A 61 13.841 2.299 -6.144 1.00 0.00 C ATOM 0 H ALA A 61 13.639 2.508 -8.587 1.00 0.00 H new ATOM 0 HA ALA A 61 11.852 3.019 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.791 2.404 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.581 1.278 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.853 2.521 -6.484 1.00 0.00 H new ATOM 960 N ASP A 62 13.666 5.502 -7.283 1.00 0.00 N ATOM 961 CA ASP A 62 13.995 6.892 -6.993 1.00 0.00 C ATOM 962 C ASP A 62 12.927 7.830 -7.547 1.00 0.00 C ATOM 963 O ASP A 62 13.048 9.051 -7.451 1.00 0.00 O ATOM 964 CB ASP A 62 15.360 7.250 -7.581 1.00 0.00 C ATOM 965 CG ASP A 62 16.497 6.974 -6.616 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.361 7.324 -5.425 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.522 6.410 -7.052 1.00 0.00 O ATOM 0 H ASP A 62 13.856 5.215 -8.243 1.00 0.00 H new ATOM 0 HA ASP A 62 14.033 7.012 -5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.518 6.681 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.369 8.305 -7.856 1.00 0.00 H new ATOM 972 N SER A 63 11.881 7.251 -8.128 1.00 0.00 N ATOM 973 CA SER A 63 10.794 8.034 -8.702 1.00 0.00 C ATOM 974 C SER A 63 10.014 8.762 -7.611 1.00 0.00 C ATOM 975 O SER A 63 9.784 8.237 -6.521 1.00 0.00 O ATOM 976 CB SER A 63 9.853 7.131 -9.502 1.00 0.00 C ATOM 977 OG SER A 63 9.047 7.891 -10.387 1.00 0.00 O ATOM 0 H SER A 63 11.764 6.241 -8.213 1.00 0.00 H new ATOM 0 HA SER A 63 11.228 8.777 -9.371 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.435 6.404 -10.069 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.217 6.567 -8.819 1.00 0.00 H new ATOM 0 HG SER A 63 8.102 7.690 -10.223 1.00 0.00 H new ATOM 983 N PRO A 64 9.595 10.000 -7.910 1.00 0.00 N ATOM 984 CA PRO A 64 8.833 10.827 -6.969 1.00 0.00 C ATOM 985 C PRO A 64 7.421 10.299 -6.745 1.00 0.00 C ATOM 986 O PRO A 64 6.833 10.503 -5.683 1.00 0.00 O ATOM 987 CB PRO A 64 8.790 12.195 -7.655 1.00 0.00 C ATOM 988 CG PRO A 64 8.941 11.897 -9.106 1.00 0.00 C ATOM 989 CD PRO A 64 9.832 10.689 -9.190 1.00 0.00 C ATOM 0 HA PRO A 64 9.289 10.845 -5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.851 12.710 -7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.592 12.842 -7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.973 11.701 -9.567 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.380 12.743 -9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.574 10.058 -10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.879 10.969 -9.308 1.00 0.00 H new ATOM 997 N ASP A 65 6.882 9.618 -7.750 1.00 0.00 N ATOM 998 CA ASP A 65 5.539 9.058 -7.662 1.00 0.00 C ATOM 999 C ASP A 65 5.453 8.026 -6.542 1.00 0.00 C ATOM 1000 O ASP A 65 4.432 7.916 -5.862 1.00 0.00 O ATOM 1001 CB ASP A 65 5.140 8.419 -8.993 1.00 0.00 C ATOM 1002 CG ASP A 65 5.797 9.097 -10.180 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.839 10.345 -10.202 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.268 8.379 -11.086 1.00 0.00 O ATOM 0 H ASP A 65 7.355 9.440 -8.636 1.00 0.00 H new ATOM 0 HA ASP A 65 4.848 9.870 -7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.414 7.364 -8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.057 8.466 -9.105 1.00 0.00 H new ATOM 1009 N ILE A 66 6.530 7.270 -6.357 1.00 0.00 N ATOM 1010 CA ILE A 66 6.576 6.247 -5.320 1.00 0.00 C ATOM 1011 C ILE A 66 6.473 6.867 -3.931 1.00 0.00 C ATOM 1012 O ILE A 66 7.287 7.710 -3.554 1.00 0.00 O ATOM 1013 CB ILE A 66 7.871 5.417 -5.405 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.907 4.620 -6.711 1.00 0.00 C ATOM 1015 CG2 ILE A 66 7.983 4.486 -4.207 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.235 3.944 -6.970 1.00 0.00 C ATOM 0 H ILE A 66 7.382 7.347 -6.912 1.00 0.00 H new ATOM 0 HA ILE A 66 5.722 5.591 -5.486 1.00 0.00 H new ATOM 0 HB ILE A 66 8.723 6.097 -5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.122 3.864 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.681 5.289 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.903 3.906 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.998 5.074 -3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.128 3.810 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.188 3.398 -7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.022 4.697 -7.026 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.454 3.250 -6.159 1.00 0.00 H new ATOM 1028 N HIS A 67 5.468 6.442 -3.172 1.00 0.00 N ATOM 1029 CA HIS A 67 5.260 6.953 -1.822 1.00 0.00 C ATOM 1030 C HIS A 67 5.234 5.814 -0.807 1.00 0.00 C ATOM 1031 O HIS A 67 4.722 4.727 -1.072 1.00 0.00 O ATOM 1032 CB HIS A 67 3.954 7.746 -1.750 1.00 0.00 C ATOM 1033 CG HIS A 67 3.953 8.976 -2.604 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.777 10.057 -2.369 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.222 9.294 -3.698 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.552 10.986 -3.280 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.613 10.548 -4.099 1.00 0.00 N ATOM 0 H HIS A 67 4.785 5.745 -3.469 1.00 0.00 H new ATOM 0 HA HIS A 67 6.092 7.614 -1.578 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.130 7.101 -2.055 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.769 8.032 -0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.471 8.676 -4.168 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.051 11.942 -3.344 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.239 11.058 -4.899 1.00 0.00 H new ATOM 1046 N PRO A 68 5.800 6.068 0.382 1.00 0.00 N ATOM 1047 CA PRO A 68 5.855 5.076 1.460 1.00 0.00 C ATOM 1048 C PRO A 68 4.482 4.798 2.062 1.00 0.00 C ATOM 1049 O PRO A 68 3.570 5.619 1.960 1.00 0.00 O ATOM 1050 CB PRO A 68 6.772 5.729 2.497 1.00 0.00 C ATOM 1051 CG PRO A 68 6.644 7.192 2.247 1.00 0.00 C ATOM 1052 CD PRO A 68 6.430 7.342 0.766 1.00 0.00 C ATOM 0 HA PRO A 68 6.211 4.109 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.468 5.473 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.803 5.396 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.808 7.612 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.541 7.723 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.788 8.193 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.370 7.501 0.238 1.00 0.00 H new ATOM 1060 N VAL A 69 4.341 3.636 2.692 1.00 0.00 N ATOM 1061 CA VAL A 69 3.079 3.251 3.312 1.00 0.00 C ATOM 1062 C VAL A 69 2.659 4.259 4.376 1.00 0.00 C ATOM 1063 O VAL A 69 3.206 4.278 5.478 1.00 0.00 O ATOM 1064 CB VAL A 69 3.173 1.853 3.954 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.046 1.649 4.956 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.147 0.773 2.883 1.00 0.00 C ATOM 0 H VAL A 69 5.085 2.945 2.786 1.00 0.00 H new ATOM 0 HA VAL A 69 2.331 3.230 2.520 1.00 0.00 H new ATOM 0 HB VAL A 69 4.120 1.780 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.128 0.657 5.399 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.115 2.403 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.086 1.741 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.214 -0.208 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.217 0.842 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.991 0.910 2.208 1.00 0.00 H new ATOM 1076 N GLY A 70 1.684 5.097 4.037 1.00 0.00 N ATOM 1077 CA GLY A 70 1.206 6.097 4.974 1.00 0.00 C ATOM 1078 C GLY A 70 1.268 7.500 4.405 1.00 0.00 C ATOM 1079 O GLY A 70 0.993 8.474 5.107 1.00 0.00 O ATOM 0 H GLY A 70 1.217 5.101 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.178 5.867 5.254 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.802 6.051 5.885 1.00 0.00 H new ATOM 1083 N TRP A 71 1.630 7.605 3.132 1.00 0.00 N ATOM 1084 CA TRP A 71 1.728 8.901 2.469 1.00 0.00 C ATOM 1085 C TRP A 71 0.354 9.547 2.331 1.00 0.00 C ATOM 1086 O TRP A 71 0.245 10.747 2.077 1.00 0.00 O ATOM 1087 CB TRP A 71 2.373 8.745 1.091 1.00 0.00 C ATOM 1088 CG TRP A 71 2.141 9.920 0.191 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.057 10.866 -0.174 1.00 0.00 C ATOM 1090 CD2 TRP A 71 0.915 10.275 -0.457 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.473 11.787 -1.010 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.160 11.447 -1.199 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.366 9.716 -0.484 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.170 12.068 -1.957 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.346 10.334 -1.236 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -1.074 11.499 -1.965 1.00 0.00 C ATOM 0 H TRP A 71 1.861 6.809 2.538 1.00 0.00 H new ATOM 0 HA TRP A 71 2.353 9.549 3.083 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.446 8.597 1.214 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.980 7.847 0.613 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.088 10.887 0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.942 12.593 -1.423 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.585 8.817 0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.377 12.967 -2.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.340 9.912 -1.262 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.862 11.957 -2.545 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.692 8.745 2.500 1.00 0.00 N ATOM 1108 CA CYS A 72 -2.060 9.240 2.394 1.00 0.00 C ATOM 1109 C CYS A 72 -2.339 10.301 3.453 1.00 0.00 C ATOM 1110 O CYS A 72 -3.145 11.206 3.243 1.00 0.00 O ATOM 1111 CB CYS A 72 -3.054 8.087 2.535 1.00 0.00 C ATOM 1112 SG CYS A 72 -3.123 7.371 4.194 1.00 0.00 S ATOM 0 H CYS A 72 -0.619 7.750 2.711 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.180 9.695 1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.048 8.443 2.263 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.790 7.304 1.824 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.993 6.405 4.214 1.00 0.00 H new ATOM 1118 N SER A 73 -1.667 10.181 4.594 1.00 0.00 N ATOM 1119 CA SER A 73 -1.846 11.127 5.690 1.00 0.00 C ATOM 1120 C SER A 73 -0.974 12.362 5.489 1.00 0.00 C ATOM 1121 O SER A 73 -1.462 13.492 5.512 1.00 0.00 O ATOM 1122 CB SER A 73 -1.509 10.462 7.026 1.00 0.00 C ATOM 1123 OG SER A 73 -2.261 9.275 7.209 1.00 0.00 O ATOM 0 H SER A 73 -0.994 9.438 4.784 1.00 0.00 H new ATOM 0 HA SER A 73 -2.890 11.439 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.444 10.231 7.062 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.713 11.155 7.842 1.00 0.00 H new ATOM 0 HG SER A 73 -2.026 8.868 8.069 1.00 0.00 H new ATOM 1129 N LYS A 74 0.321 12.139 5.293 1.00 0.00 N ATOM 1130 CA LYS A 74 1.264 13.232 5.087 1.00 0.00 C ATOM 1131 C LYS A 74 0.617 14.368 4.300 1.00 0.00 C ATOM 1132 O LYS A 74 0.397 15.458 4.829 1.00 0.00 O ATOM 1133 CB LYS A 74 2.506 12.729 4.348 1.00 0.00 C ATOM 1134 CG LYS A 74 3.250 11.631 5.088 1.00 0.00 C ATOM 1135 CD LYS A 74 4.687 11.509 4.607 1.00 0.00 C ATOM 1136 CE LYS A 74 4.759 11.394 3.092 1.00 0.00 C ATOM 1137 NZ LYS A 74 6.161 11.233 2.615 1.00 0.00 N ATOM 0 H LYS A 74 0.742 11.210 5.272 1.00 0.00 H new ATOM 0 HA LYS A 74 1.559 13.613 6.065 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.210 12.358 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.183 13.567 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.240 11.841 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.735 10.681 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.257 12.379 4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.151 10.634 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.163 10.542 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.321 12.283 2.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.168 11.158 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.724 12.058 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.571 10.371 3.027 1.00 0.00 H new ATOM 1151 N THR A 75 0.312 14.105 3.033 1.00 0.00 N ATOM 1152 CA THR A 75 -0.310 15.104 2.173 1.00 0.00 C ATOM 1153 C THR A 75 -1.782 15.291 2.524 1.00 0.00 C ATOM 1154 O THR A 75 -2.279 16.415 2.579 1.00 0.00 O ATOM 1155 CB THR A 75 -0.193 14.718 0.687 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.978 13.550 0.421 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.257 14.458 0.308 1.00 0.00 C ATOM 0 H THR A 75 0.486 13.208 2.580 1.00 0.00 H new ATOM 0 HA THR A 75 0.223 16.040 2.340 1.00 0.00 H new ATOM 0 HB THR A 75 -0.565 15.549 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.654 13.117 -0.396 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.315 14.187 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.846 15.358 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.651 13.642 0.914 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.475 14.182 2.762 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.883 14.246 3.105 1.00 0.00 C ATOM 1167 C GLY A 76 -4.776 13.750 1.985 1.00 0.00 C ATOM 1168 O GLY A 76 -5.907 14.214 1.831 1.00 0.00 O ATOM 0 H GLY A 76 -2.086 13.240 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.063 13.650 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.148 15.275 3.348 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.268 12.806 1.199 1.00 0.00 N ATOM 1173 CA HIS A 77 -5.027 12.248 0.085 1.00 0.00 C ATOM 1174 C HIS A 77 -5.596 10.880 0.448 1.00 0.00 C ATOM 1175 O HIS A 77 -4.979 10.094 1.168 1.00 0.00 O ATOM 1176 CB HIS A 77 -4.142 12.132 -1.156 1.00 0.00 C ATOM 1177 CG HIS A 77 -4.079 13.390 -1.966 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.788 14.623 -1.421 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -4.271 13.602 -3.289 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.804 15.538 -2.373 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -4.095 14.944 -3.517 1.00 0.00 N ATOM 0 H HIS A 77 -3.334 12.411 1.313 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.856 12.922 -0.132 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.133 11.857 -0.848 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.515 11.323 -1.784 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.517 12.854 -4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.612 16.592 -2.239 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.176 15.407 -4.422 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.803 10.586 -0.060 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.482 9.313 0.197 1.00 0.00 C ATOM 1192 C PRO A 78 -6.796 8.140 -0.496 1.00 0.00 C ATOM 1193 O PRO A 78 -6.405 8.236 -1.660 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.881 9.533 -0.384 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.697 10.582 -1.426 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.596 11.475 -0.926 1.00 0.00 C ATOM 0 HA PRO A 78 -7.481 9.057 1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.281 8.614 -0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.583 9.857 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.433 10.137 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.617 11.146 -1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.999 11.875 -1.746 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.990 12.328 -0.373 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.653 7.034 0.226 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.015 5.841 -0.319 1.00 0.00 C ATOM 1206 C LEU A 79 -7.057 4.821 -0.764 1.00 0.00 C ATOM 1207 O LEU A 79 -8.120 4.702 -0.156 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.083 5.216 0.721 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.128 4.139 0.206 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -2.939 4.773 -0.498 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.662 3.249 1.349 1.00 0.00 C ATOM 0 H LEU A 79 -6.970 6.939 1.191 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.430 6.138 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.491 6.012 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.694 4.783 1.513 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.663 3.520 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.270 3.991 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.290 5.367 -1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.403 5.416 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.983 2.488 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.145 3.854 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.524 2.766 1.809 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.743 4.086 -1.826 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.653 3.074 -2.350 1.00 0.00 C ATOM 1225 C GLN A 80 -7.137 1.671 -2.050 1.00 0.00 C ATOM 1226 O GLN A 80 -5.993 1.326 -2.348 1.00 0.00 O ATOM 1227 CB GLN A 80 -7.833 3.253 -3.859 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.453 4.586 -4.244 1.00 0.00 C ATOM 1229 CD GLN A 80 -9.713 4.892 -3.458 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.805 4.453 -3.819 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -9.568 5.650 -2.377 1.00 0.00 N ATOM 0 H GLN A 80 -5.866 4.172 -2.340 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.618 3.199 -1.859 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.862 3.159 -4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.460 2.447 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.726 5.381 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.686 4.580 -5.309 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.644 5.992 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.381 5.890 -1.809 1.00 0.00 H new ATOM 1240 N PRO A 81 -7.999 0.839 -1.446 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.653 -0.540 -1.093 1.00 0.00 C ATOM 1242 C PRO A 81 -7.501 -1.432 -2.320 1.00 0.00 C ATOM 1243 O PRO A 81 -7.929 -1.090 -3.423 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.841 -0.998 -0.243 1.00 0.00 C ATOM 1245 CG PRO A 81 -9.978 -0.146 -0.692 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.379 1.183 -1.062 1.00 0.00 C ATOM 0 HA PRO A 81 -6.694 -0.600 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.054 -2.056 -0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.642 -0.865 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.489 -0.594 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.718 -0.033 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.920 1.653 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.401 1.881 -0.225 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.877 -2.604 -2.128 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.656 -3.570 -3.208 1.00 0.00 C ATOM 1256 C PRO A 82 -7.952 -4.224 -3.676 1.00 0.00 C ATOM 1257 O PRO A 82 -9.043 -3.820 -3.273 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.731 -4.610 -2.571 1.00 0.00 C ATOM 1259 CG PRO A 82 -6.009 -4.519 -1.110 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.341 -3.077 -0.841 1.00 0.00 C ATOM 0 HA PRO A 82 -6.239 -3.098 -4.098 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.938 -5.610 -2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.685 -4.396 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.837 -5.169 -0.829 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.144 -4.836 -0.528 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.073 -2.976 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.459 -2.511 -0.541 1.00 0.00 H new