USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 74 HIS : no HE2:sc= -2.75 K(o=-2.7,f=-4.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -0.635 (180deg=-1.97) USER MOD Single : A 19 LYS NZ :NH3+ 147:sc= -0.268 (180deg=-1.16) USER MOD Single : A 27 SER OG : rot 180:sc= -0.132 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 138:sc= -2.66 (180deg=-7.23!) USER MOD Single : A 39 TYR OH : rot -36:sc= 0.424 USER MOD Single : A 52 ASN : amide:sc= -5.96 K(o=-6,f=-9.9!) USER MOD Single : A 55 MET CE :methyl -106:sc= -0.914 (180deg=-3!) USER MOD Single : A 60 GLN : amide:sc= -4.16! C(o=-4.2!,f=-4.3!) USER MOD Single : A 65 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.1!) USER MOD Single : A 72 MET CE :methyl -147:sc= -3.57 (180deg=-7.6!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.055 -4.153 -3.707 1.00 0.00 N ATOM 149 CA PHE A 13 9.529 -3.465 -2.511 1.00 0.00 C ATOM 150 C PHE A 13 8.358 -2.932 -1.691 1.00 0.00 C ATOM 151 O PHE A 13 7.249 -2.769 -2.201 1.00 0.00 O ATOM 152 CB PHE A 13 10.462 -2.316 -2.895 1.00 0.00 C ATOM 153 CG PHE A 13 9.738 -1.087 -3.367 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.274 -0.999 -4.670 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.523 -0.021 -2.509 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.607 0.130 -5.107 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.856 1.110 -2.941 1.00 0.00 C ATOM 158 CZ PHE A 13 8.398 1.186 -4.242 1.00 0.00 C ATOM 0 HA PHE A 13 10.079 -4.183 -1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.079 -2.056 -2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.137 -2.654 -3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.435 -1.821 -5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.880 -0.074 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.249 0.186 -6.125 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.693 1.934 -2.262 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.878 2.069 -4.582 1.00 0.00 H new ATOM 168 N THR A 14 8.612 -2.662 -0.414 1.00 0.00 N ATOM 169 CA THR A 14 7.581 -2.149 0.479 1.00 0.00 C ATOM 170 C THR A 14 7.745 -0.651 0.706 1.00 0.00 C ATOM 171 O THR A 14 8.822 -0.094 0.488 1.00 0.00 O ATOM 172 CB THR A 14 7.607 -2.869 1.840 1.00 0.00 C ATOM 173 OG1 THR A 14 8.863 -2.643 2.490 1.00 0.00 O ATOM 174 CG2 THR A 14 7.383 -4.364 1.666 1.00 0.00 C ATOM 0 H THR A 14 9.524 -2.790 0.025 1.00 0.00 H new ATOM 0 HA THR A 14 6.623 -2.337 -0.005 1.00 0.00 H new ATOM 0 HB THR A 14 6.802 -2.466 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.871 -3.103 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.406 -4.851 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.414 -4.535 1.197 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.169 -4.779 1.035 1.00 0.00 H new ATOM 182 N VAL A 15 6.672 -0.002 1.147 1.00 0.00 N ATOM 183 CA VAL A 15 6.698 1.432 1.405 1.00 0.00 C ATOM 184 C VAL A 15 6.445 1.730 2.879 1.00 0.00 C ATOM 185 O VAL A 15 5.688 1.022 3.544 1.00 0.00 O ATOM 186 CB VAL A 15 5.651 2.175 0.555 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.717 3.673 0.815 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.852 1.872 -0.922 1.00 0.00 C ATOM 0 H VAL A 15 5.773 -0.447 1.333 1.00 0.00 H new ATOM 0 HA VAL A 15 7.693 1.784 1.132 1.00 0.00 H new ATOM 0 HB VAL A 15 4.660 1.824 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.970 4.181 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.520 3.868 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.709 4.044 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.103 2.405 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.848 2.193 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.749 0.800 -1.091 1.00 0.00 H new ATOM 198 N ASP A 16 7.081 2.781 3.383 1.00 0.00 N ATOM 199 CA ASP A 16 6.924 3.174 4.778 1.00 0.00 C ATOM 200 C ASP A 16 6.747 4.684 4.901 1.00 0.00 C ATOM 201 O ASP A 16 7.656 5.452 4.587 1.00 0.00 O ATOM 202 CB ASP A 16 8.133 2.721 5.598 1.00 0.00 C ATOM 203 CG ASP A 16 7.994 3.056 7.069 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.344 4.074 7.388 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.534 2.299 7.903 1.00 0.00 O ATOM 0 H ASP A 16 7.711 3.377 2.846 1.00 0.00 H new ATOM 0 HA ASP A 16 6.029 2.689 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.263 1.645 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.033 3.194 5.204 1.00 0.00 H new ATOM 210 N MET A 17 5.572 5.102 5.358 1.00 0.00 N ATOM 211 CA MET A 17 5.277 6.521 5.522 1.00 0.00 C ATOM 212 C MET A 17 4.306 6.744 6.678 1.00 0.00 C ATOM 213 O MET A 17 3.636 5.814 7.125 1.00 0.00 O ATOM 214 CB MET A 17 4.691 7.094 4.230 1.00 0.00 C ATOM 215 CG MET A 17 5.111 6.335 2.983 1.00 0.00 C ATOM 216 SD MET A 17 4.546 7.126 1.464 1.00 0.00 S ATOM 217 CE MET A 17 2.793 7.284 1.797 1.00 0.00 C ATOM 0 H MET A 17 4.808 4.479 5.621 1.00 0.00 H new ATOM 0 HA MET A 17 6.210 7.037 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.603 7.088 4.300 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.998 8.135 4.132 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.198 6.252 2.962 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.714 5.321 3.029 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.265 7.503 0.869 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.417 6.351 2.217 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.629 8.094 2.508 1.00 0.00 H new ATOM 227 N GLU A 18 4.237 7.983 7.156 1.00 0.00 N ATOM 228 CA GLU A 18 3.349 8.326 8.260 1.00 0.00 C ATOM 229 C GLU A 18 2.284 9.323 7.812 1.00 0.00 C ATOM 230 O GLU A 18 2.300 9.798 6.677 1.00 0.00 O ATOM 231 CB GLU A 18 4.150 8.909 9.426 1.00 0.00 C ATOM 232 CG GLU A 18 4.529 7.881 10.479 1.00 0.00 C ATOM 233 CD GLU A 18 5.825 8.223 11.188 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.897 7.812 10.698 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.766 8.903 12.235 1.00 0.00 O ATOM 0 H GLU A 18 4.785 8.765 6.796 1.00 0.00 H new ATOM 0 HA GLU A 18 2.852 7.413 8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.058 9.370 9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.567 9.701 9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.727 7.805 11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.624 6.902 10.008 1.00 0.00 H new ATOM 242 N LYS A 19 1.357 9.634 8.712 1.00 0.00 N ATOM 243 CA LYS A 19 0.284 10.574 8.412 1.00 0.00 C ATOM 244 C LYS A 19 0.802 12.008 8.405 1.00 0.00 C ATOM 245 O LYS A 19 1.867 12.296 8.949 1.00 0.00 O ATOM 246 CB LYS A 19 -0.845 10.434 9.436 1.00 0.00 C ATOM 247 CG LYS A 19 -2.219 10.756 8.874 1.00 0.00 C ATOM 248 CD LYS A 19 -2.793 9.584 8.097 1.00 0.00 C ATOM 249 CE LYS A 19 -3.770 8.780 8.941 1.00 0.00 C ATOM 250 NZ LYS A 19 -4.886 9.624 9.452 1.00 0.00 N ATOM 0 H LYS A 19 1.328 9.248 9.656 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.102 10.341 7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.849 9.415 9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.643 11.094 10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.894 11.019 9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.151 11.627 8.223 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.299 9.951 7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.983 8.937 7.761 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.176 7.962 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.240 8.331 9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.753 9.053 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.643 9.986 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.042 10.423 8.805 1.00 0.00 H new ATOM 330 N GLY A 25 -1.211 11.922 2.472 1.00 0.00 N ATOM 331 CA GLY A 25 -0.977 12.752 1.306 1.00 0.00 C ATOM 332 C GLY A 25 -0.751 11.936 0.049 1.00 0.00 C ATOM 333 O GLY A 25 0.131 12.246 -0.752 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.831 13.413 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.109 13.387 1.484 1.00 0.00 H new ATOM 337 N PHE A 26 -1.548 10.887 -0.125 1.00 0.00 N ATOM 338 CA PHE A 26 -1.429 10.021 -1.292 1.00 0.00 C ATOM 339 C PHE A 26 -2.764 9.355 -1.613 1.00 0.00 C ATOM 340 O PHE A 26 -3.496 8.942 -0.714 1.00 0.00 O ATOM 341 CB PHE A 26 -0.358 8.955 -1.056 1.00 0.00 C ATOM 342 CG PHE A 26 -0.890 7.700 -0.423 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.778 6.887 -1.107 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.502 7.335 0.856 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.270 5.733 -0.527 1.00 0.00 C ATOM 346 CE2 PHE A 26 -0.990 6.182 1.441 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.874 5.379 0.748 1.00 0.00 C ATOM 0 H PHE A 26 -2.284 10.616 0.528 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.136 10.637 -2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.108 8.703 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.423 9.371 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.090 7.158 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.190 7.959 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.964 5.108 -1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.680 5.909 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.255 4.476 1.202 1.00 0.00 H new ATOM 357 N SER A 27 -3.074 9.255 -2.902 1.00 0.00 N ATOM 358 CA SER A 27 -4.322 8.643 -3.343 1.00 0.00 C ATOM 359 C SER A 27 -4.051 7.371 -4.142 1.00 0.00 C ATOM 360 O SER A 27 -2.908 7.076 -4.490 1.00 0.00 O ATOM 361 CB SER A 27 -5.126 9.630 -4.191 1.00 0.00 C ATOM 362 OG SER A 27 -6.415 9.119 -4.483 1.00 0.00 O ATOM 0 H SER A 27 -2.478 9.590 -3.659 1.00 0.00 H new ATOM 0 HA SER A 27 -4.901 8.379 -2.458 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.219 10.578 -3.661 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.593 9.834 -5.120 1.00 0.00 H new ATOM 0 HG SER A 27 -6.910 9.769 -5.024 1.00 0.00 H new ATOM 368 N ILE A 28 -5.111 6.623 -4.427 1.00 0.00 N ATOM 369 CA ILE A 28 -4.989 5.384 -5.185 1.00 0.00 C ATOM 370 C ILE A 28 -6.070 5.287 -6.257 1.00 0.00 C ATOM 371 O ILE A 28 -7.008 6.083 -6.281 1.00 0.00 O ATOM 372 CB ILE A 28 -5.081 4.151 -4.267 1.00 0.00 C ATOM 373 CG1 ILE A 28 -5.872 4.488 -3.001 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.688 3.652 -3.911 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.508 3.281 -2.347 1.00 0.00 C ATOM 0 H ILE A 28 -6.064 6.853 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.008 5.400 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.606 3.358 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.207 4.971 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.651 5.209 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.769 2.780 -3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.156 3.378 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.140 4.440 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.052 3.594 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.198 2.810 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.732 2.568 -2.067 1.00 0.00 H new ATOM 387 N ARG A 29 -5.931 4.305 -7.142 1.00 0.00 N ATOM 388 CA ARG A 29 -6.895 4.102 -8.216 1.00 0.00 C ATOM 389 C ARG A 29 -7.049 2.618 -8.536 1.00 0.00 C ATOM 390 O ARG A 29 -6.296 1.784 -8.037 1.00 0.00 O ATOM 391 CB ARG A 29 -6.460 4.863 -9.471 1.00 0.00 C ATOM 392 CG ARG A 29 -5.358 4.167 -10.253 1.00 0.00 C ATOM 393 CD ARG A 29 -5.291 4.669 -11.687 1.00 0.00 C ATOM 394 NE ARG A 29 -4.581 5.941 -11.790 1.00 0.00 N ATOM 395 CZ ARG A 29 -4.748 6.796 -12.792 1.00 0.00 C ATOM 396 NH1 ARG A 29 -5.596 6.517 -13.773 1.00 0.00 N ATOM 397 NH2 ARG A 29 -4.065 7.934 -12.815 1.00 0.00 N ATOM 0 H ARG A 29 -5.160 3.638 -7.136 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.859 4.486 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.324 5.000 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.118 5.857 -9.183 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.400 4.336 -9.762 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.532 3.091 -10.251 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.793 3.925 -12.308 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.302 4.786 -12.078 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.921 6.186 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.122 5.643 -13.759 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.722 7.176 -14.541 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.412 8.152 -12.063 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.194 8.591 -13.585 1.00 0.00 H new ATOM 411 N GLY A 30 -8.032 2.297 -9.372 1.00 0.00 N ATOM 412 CA GLY A 30 -8.268 0.914 -9.744 1.00 0.00 C ATOM 413 C GLY A 30 -8.731 0.070 -8.572 1.00 0.00 C ATOM 414 O GLY A 30 -9.002 0.591 -7.491 1.00 0.00 O ATOM 0 H GLY A 30 -8.669 2.970 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.018 0.876 -10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.352 0.490 -10.154 1.00 0.00 H new ATOM 418 N GLY A 31 -8.823 -1.238 -8.788 1.00 0.00 N ATOM 419 CA GLY A 31 -9.259 -2.135 -7.733 1.00 0.00 C ATOM 420 C GLY A 31 -10.209 -3.204 -8.236 1.00 0.00 C ATOM 421 O GLY A 31 -10.602 -3.195 -9.402 1.00 0.00 O ATOM 0 H GLY A 31 -8.604 -1.693 -9.674 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.388 -2.610 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.749 -1.558 -6.949 1.00 0.00 H new ATOM 425 N ARG A 32 -10.577 -4.128 -7.355 1.00 0.00 N ATOM 426 CA ARG A 32 -11.485 -5.210 -7.717 1.00 0.00 C ATOM 427 C ARG A 32 -12.798 -4.658 -8.263 1.00 0.00 C ATOM 428 O ARG A 32 -13.583 -5.386 -8.870 1.00 0.00 O ATOM 429 CB ARG A 32 -11.759 -6.101 -6.504 1.00 0.00 C ATOM 430 CG ARG A 32 -10.737 -7.211 -6.319 1.00 0.00 C ATOM 431 CD ARG A 32 -10.665 -8.111 -7.543 1.00 0.00 C ATOM 432 NE ARG A 32 -9.679 -7.639 -8.512 1.00 0.00 N ATOM 433 CZ ARG A 32 -9.315 -8.331 -9.586 1.00 0.00 C ATOM 434 NH1 ARG A 32 -9.852 -9.519 -9.827 1.00 0.00 N ATOM 435 NH2 ARG A 32 -8.412 -7.835 -10.422 1.00 0.00 N ATOM 0 H ARG A 32 -10.261 -4.149 -6.386 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.009 -5.805 -8.496 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.777 -5.483 -5.607 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.750 -6.544 -6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.756 -6.776 -6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.998 -7.806 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.412 -9.125 -7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.645 -8.158 -8.017 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.246 -6.729 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.547 -9.904 -9.187 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.571 -10.048 -10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.996 -6.921 -10.240 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.133 -8.367 -11.246 1.00 0.00 H new ATOM 449 N GLU A 33 -13.029 -3.368 -8.043 1.00 0.00 N ATOM 450 CA GLU A 33 -14.248 -2.720 -8.513 1.00 0.00 C ATOM 451 C GLU A 33 -14.187 -2.471 -10.017 1.00 0.00 C ATOM 452 O GLU A 33 -15.203 -2.537 -10.710 1.00 0.00 O ATOM 453 CB GLU A 33 -14.466 -1.397 -7.775 1.00 0.00 C ATOM 454 CG GLU A 33 -15.926 -0.986 -7.681 1.00 0.00 C ATOM 455 CD GLU A 33 -16.115 0.329 -6.950 1.00 0.00 C ATOM 456 OE1 GLU A 33 -16.042 0.330 -5.704 1.00 0.00 O ATOM 457 OE2 GLU A 33 -16.337 1.357 -7.624 1.00 0.00 O ATOM 0 H GLU A 33 -12.389 -2.751 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.086 -3.386 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.055 -1.480 -6.769 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.908 -0.611 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.342 -0.902 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -16.487 -1.767 -7.168 1.00 0.00 H new ATOM 464 N TYR A 34 -12.989 -2.184 -10.515 1.00 0.00 N ATOM 465 CA TYR A 34 -12.795 -1.922 -11.936 1.00 0.00 C ATOM 466 C TYR A 34 -12.014 -3.054 -12.597 1.00 0.00 C ATOM 467 O TYR A 34 -11.534 -2.919 -13.723 1.00 0.00 O ATOM 468 CB TYR A 34 -12.060 -0.596 -12.136 1.00 0.00 C ATOM 469 CG TYR A 34 -12.478 0.481 -11.161 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.630 1.229 -11.374 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.721 0.752 -10.028 1.00 0.00 C ATOM 472 CE1 TYR A 34 -14.016 2.215 -10.486 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.100 1.735 -9.134 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.248 2.463 -9.367 1.00 0.00 C ATOM 475 OH TYR A 34 -13.628 3.444 -8.480 1.00 0.00 O ATOM 0 H TYR A 34 -12.138 -2.127 -9.956 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.777 -1.860 -12.405 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.988 -0.766 -12.039 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.236 -0.243 -13.152 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.234 1.036 -12.248 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.821 0.185 -9.843 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.913 2.788 -10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.501 1.932 -8.258 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.324 3.206 -7.579 1.00 0.00 H new ATOM 485 N LYS A 35 -11.892 -4.172 -11.889 1.00 0.00 N ATOM 486 CA LYS A 35 -11.172 -5.330 -12.404 1.00 0.00 C ATOM 487 C LYS A 35 -9.747 -4.954 -12.797 1.00 0.00 C ATOM 488 O LYS A 35 -9.288 -5.282 -13.891 1.00 0.00 O ATOM 489 CB LYS A 35 -11.907 -5.917 -13.611 1.00 0.00 C ATOM 490 CG LYS A 35 -13.370 -6.224 -13.342 1.00 0.00 C ATOM 491 CD LYS A 35 -14.251 -5.016 -13.612 1.00 0.00 C ATOM 492 CE LYS A 35 -15.722 -5.399 -13.662 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.126 -5.873 -15.015 1.00 0.00 N ATOM 0 H LYS A 35 -12.283 -4.300 -10.956 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.126 -6.079 -11.614 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.839 -5.217 -14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.404 -6.832 -13.922 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.690 -7.056 -13.969 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.492 -6.540 -12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.095 -4.269 -12.834 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.961 -4.557 -14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.919 -6.182 -12.929 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.331 -4.540 -13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.135 -6.124 -15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.962 -5.118 -15.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.563 -6.709 -15.273 1.00 0.00 H new ATOM 507 N MET A 36 -9.052 -4.264 -11.898 1.00 0.00 N ATOM 508 CA MET A 36 -7.678 -3.847 -12.151 1.00 0.00 C ATOM 509 C MET A 36 -6.912 -3.675 -10.843 1.00 0.00 C ATOM 510 O MET A 36 -7.511 -3.547 -9.775 1.00 0.00 O ATOM 511 CB MET A 36 -7.658 -2.538 -12.943 1.00 0.00 C ATOM 512 CG MET A 36 -8.354 -1.388 -12.234 1.00 0.00 C ATOM 513 SD MET A 36 -8.866 -0.081 -13.367 1.00 0.00 S ATOM 514 CE MET A 36 -7.856 1.281 -12.791 1.00 0.00 C ATOM 0 H MET A 36 -9.418 -3.982 -10.989 1.00 0.00 H new ATOM 0 HA MET A 36 -7.190 -4.626 -12.737 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.623 -2.259 -13.141 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.135 -2.700 -13.909 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.228 -1.768 -11.705 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.684 -0.970 -11.483 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.457 1.825 -13.647 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.463 1.953 -12.185 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.032 0.895 -12.190 1.00 0.00 H new ATOM 524 N ASP A 37 -5.587 -3.672 -10.935 1.00 0.00 N ATOM 525 CA ASP A 37 -4.740 -3.515 -9.758 1.00 0.00 C ATOM 526 C ASP A 37 -4.897 -2.122 -9.157 1.00 0.00 C ATOM 527 O ASP A 37 -5.526 -1.245 -9.751 1.00 0.00 O ATOM 528 CB ASP A 37 -3.275 -3.765 -10.121 1.00 0.00 C ATOM 529 CG ASP A 37 -3.101 -4.968 -11.028 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.288 -4.818 -12.253 1.00 0.00 O ATOM 531 OD2 ASP A 37 -2.778 -6.058 -10.512 1.00 0.00 O ATOM 0 H ASP A 37 -5.076 -3.776 -11.812 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.053 -4.249 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.870 -2.881 -10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.698 -3.915 -9.209 1.00 0.00 H new ATOM 536 N LEU A 38 -4.323 -1.925 -7.976 1.00 0.00 N ATOM 537 CA LEU A 38 -4.400 -0.638 -7.293 1.00 0.00 C ATOM 538 C LEU A 38 -3.135 0.180 -7.529 1.00 0.00 C ATOM 539 O LEU A 38 -2.039 -0.227 -7.142 1.00 0.00 O ATOM 540 CB LEU A 38 -4.614 -0.846 -5.793 1.00 0.00 C ATOM 541 CG LEU A 38 -5.973 -1.413 -5.381 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.846 -2.230 -4.104 1.00 0.00 C ATOM 543 CD2 LEU A 38 -6.986 -0.292 -5.200 1.00 0.00 C ATOM 0 H LEU A 38 -3.799 -2.640 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.248 -0.088 -7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.837 -1.516 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.475 0.111 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.326 -2.071 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.823 -2.625 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.154 -3.056 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.470 -1.595 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.947 -0.714 -4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.638 0.391 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.099 0.251 -6.138 1.00 0.00 H new ATOM 555 N TYR A 39 -3.293 1.336 -8.164 1.00 0.00 N ATOM 556 CA TYR A 39 -2.164 2.212 -8.451 1.00 0.00 C ATOM 557 C TYR A 39 -2.317 3.551 -7.737 1.00 0.00 C ATOM 558 O TYR A 39 -3.382 3.867 -7.207 1.00 0.00 O ATOM 559 CB TYR A 39 -2.036 2.437 -9.959 1.00 0.00 C ATOM 560 CG TYR A 39 -2.221 1.178 -10.777 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.477 0.605 -10.932 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.139 0.561 -11.393 1.00 0.00 C ATOM 563 CE1 TYR A 39 -3.651 -0.545 -11.677 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.304 -0.588 -12.141 1.00 0.00 C ATOM 565 CZ TYR A 39 -2.561 -1.138 -12.280 1.00 0.00 C ATOM 566 OH TYR A 39 -2.729 -2.283 -13.024 1.00 0.00 O ATOM 0 H TYR A 39 -4.193 1.688 -8.490 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.259 1.727 -8.084 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.774 3.175 -10.272 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.054 2.858 -10.173 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.332 1.067 -10.462 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.153 0.987 -11.285 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.635 -0.977 -11.787 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.453 -1.054 -12.615 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.419 -2.843 -12.611 1.00 0.00 H new ATOM 576 N VAL A 40 -1.245 4.337 -7.729 1.00 0.00 N ATOM 577 CA VAL A 40 -1.259 5.643 -7.083 1.00 0.00 C ATOM 578 C VAL A 40 -1.885 6.698 -7.988 1.00 0.00 C ATOM 579 O VAL A 40 -1.301 7.092 -8.998 1.00 0.00 O ATOM 580 CB VAL A 40 0.163 6.094 -6.697 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.116 7.394 -5.909 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.869 5.005 -5.903 1.00 0.00 C ATOM 0 H VAL A 40 -0.355 4.091 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.859 5.541 -6.179 1.00 0.00 H new ATOM 0 HB VAL A 40 0.730 6.272 -7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.129 7.697 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.348 8.171 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.467 7.247 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.872 5.340 -5.638 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.305 4.794 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.936 4.100 -6.507 1.00 0.00 H new ATOM 592 N LEU A 41 -3.079 7.151 -7.620 1.00 0.00 N ATOM 593 CA LEU A 41 -3.786 8.162 -8.399 1.00 0.00 C ATOM 594 C LEU A 41 -2.984 9.457 -8.467 1.00 0.00 C ATOM 595 O LEU A 41 -2.627 9.922 -9.550 1.00 0.00 O ATOM 596 CB LEU A 41 -5.163 8.432 -7.789 1.00 0.00 C ATOM 597 CG LEU A 41 -6.140 9.221 -8.662 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.553 10.575 -9.031 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.494 8.432 -9.914 1.00 0.00 C ATOM 0 H LEU A 41 -3.577 6.835 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.912 7.782 -9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.621 7.475 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.024 8.973 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.054 9.387 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.262 11.122 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.352 11.144 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.624 10.431 -9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.190 9.009 -10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.588 8.234 -10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.958 7.487 -9.630 1.00 0.00 H new ATOM 611 N ARG A 42 -2.703 10.035 -7.304 1.00 0.00 N ATOM 612 CA ARG A 42 -1.942 11.276 -7.231 1.00 0.00 C ATOM 613 C ARG A 42 -1.292 11.436 -5.860 1.00 0.00 C ATOM 614 O ARG A 42 -1.807 10.942 -4.856 1.00 0.00 O ATOM 615 CB ARG A 42 -2.849 12.473 -7.520 1.00 0.00 C ATOM 616 CG ARG A 42 -2.397 13.758 -6.846 1.00 0.00 C ATOM 617 CD ARG A 42 -2.944 13.867 -5.431 1.00 0.00 C ATOM 618 NE ARG A 42 -4.329 14.331 -5.414 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.919 14.842 -4.340 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.250 14.954 -3.201 1.00 0.00 N ATOM 621 NH2 ARG A 42 -6.183 15.242 -4.403 1.00 0.00 N ATOM 0 H ARG A 42 -2.991 9.663 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.155 11.235 -7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.892 12.634 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.862 12.238 -7.192 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.308 13.793 -6.820 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.729 14.614 -7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.881 12.895 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.324 14.554 -4.855 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.872 14.258 -6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.279 14.647 -3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.707 15.347 -2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.702 15.157 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.635 15.634 -3.577 1.00 0.00 H new ATOM 635 N LEU A 43 -0.159 12.129 -5.825 1.00 0.00 N ATOM 636 CA LEU A 43 0.562 12.355 -4.577 1.00 0.00 C ATOM 637 C LEU A 43 0.382 13.791 -4.096 1.00 0.00 C ATOM 638 O LEU A 43 0.193 14.705 -4.898 1.00 0.00 O ATOM 639 CB LEU A 43 2.049 12.049 -4.762 1.00 0.00 C ATOM 640 CG LEU A 43 2.481 10.612 -4.466 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.955 10.420 -4.788 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.200 10.259 -3.013 1.00 0.00 C ATOM 0 H LEU A 43 0.280 12.544 -6.647 1.00 0.00 H new ATOM 0 HA LEU A 43 0.151 11.685 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.323 12.285 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.620 12.719 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 43 1.902 9.941 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.244 9.392 -4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.127 10.630 -5.844 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.552 11.100 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.514 9.233 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.752 10.936 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.132 10.355 -2.815 1.00 0.00 H new ATOM 654 N ALA A 44 0.445 13.982 -2.782 1.00 0.00 N ATOM 655 CA ALA A 44 0.294 15.307 -2.195 1.00 0.00 C ATOM 656 C ALA A 44 1.630 16.039 -2.138 1.00 0.00 C ATOM 657 O ALA A 44 2.563 15.594 -1.470 1.00 0.00 O ATOM 658 CB ALA A 44 -0.312 15.202 -0.803 1.00 0.00 C ATOM 0 H ALA A 44 0.600 13.235 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.379 15.883 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.419 16.199 -0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.291 14.728 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.340 14.603 -0.167 1.00 0.00 H new ATOM 664 N GLU A 45 1.716 17.162 -2.845 1.00 0.00 N ATOM 665 CA GLU A 45 2.940 17.953 -2.875 1.00 0.00 C ATOM 666 C GLU A 45 3.279 18.485 -1.486 1.00 0.00 C ATOM 667 O GLU A 45 4.419 18.862 -1.215 1.00 0.00 O ATOM 668 CB GLU A 45 2.797 19.117 -3.858 1.00 0.00 C ATOM 669 CG GLU A 45 1.729 20.122 -3.460 1.00 0.00 C ATOM 670 CD GLU A 45 1.421 21.114 -4.565 1.00 0.00 C ATOM 671 OE1 GLU A 45 2.205 22.072 -4.736 1.00 0.00 O ATOM 672 OE2 GLU A 45 0.398 20.934 -5.257 1.00 0.00 O ATOM 0 H GLU A 45 0.953 17.544 -3.404 1.00 0.00 H new ATOM 0 HA GLU A 45 3.752 17.305 -3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.755 19.631 -3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.561 18.721 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.817 19.590 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.057 20.663 -2.572 1.00 0.00 H new ATOM 679 N ASP A 46 2.280 18.512 -0.610 1.00 0.00 N ATOM 680 CA ASP A 46 2.471 18.997 0.752 1.00 0.00 C ATOM 681 C ASP A 46 2.180 17.896 1.767 1.00 0.00 C ATOM 682 O ASP A 46 1.889 18.171 2.930 1.00 0.00 O ATOM 683 CB ASP A 46 1.570 20.204 1.018 1.00 0.00 C ATOM 684 CG ASP A 46 1.921 20.916 2.309 1.00 0.00 C ATOM 685 OD1 ASP A 46 3.084 21.348 2.452 1.00 0.00 O ATOM 686 OD2 ASP A 46 1.032 21.042 3.177 1.00 0.00 O ATOM 0 H ASP A 46 1.330 18.204 -0.819 1.00 0.00 H new ATOM 0 HA ASP A 46 3.512 19.300 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.651 20.904 0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.531 19.876 1.058 1.00 0.00 H new ATOM 691 N GLY A 47 2.261 16.647 1.317 1.00 0.00 N ATOM 692 CA GLY A 47 2.002 15.524 2.198 1.00 0.00 C ATOM 693 C GLY A 47 3.260 14.745 2.529 1.00 0.00 C ATOM 694 O GLY A 47 4.313 14.937 1.920 1.00 0.00 O ATOM 0 H GLY A 47 2.501 16.394 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.550 15.887 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.278 14.857 1.729 1.00 0.00 H new ATOM 698 N PRO A 48 3.160 13.842 3.516 1.00 0.00 N ATOM 699 CA PRO A 48 4.289 13.014 3.950 1.00 0.00 C ATOM 700 C PRO A 48 4.679 11.974 2.906 1.00 0.00 C ATOM 701 O PRO A 48 5.827 11.534 2.853 1.00 0.00 O ATOM 702 CB PRO A 48 3.763 12.332 5.215 1.00 0.00 C ATOM 703 CG PRO A 48 2.283 12.312 5.048 1.00 0.00 C ATOM 704 CD PRO A 48 1.936 13.561 4.285 1.00 0.00 C ATOM 0 HA PRO A 48 5.190 13.605 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.163 11.323 5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.053 12.882 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.963 11.422 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.781 12.293 6.015 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.077 13.407 3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.684 14.384 4.954 1.00 0.00 H new ATOM 712 N ALA A 49 3.716 11.584 2.077 1.00 0.00 N ATOM 713 CA ALA A 49 3.960 10.597 1.033 1.00 0.00 C ATOM 714 C ALA A 49 4.986 11.105 0.026 1.00 0.00 C ATOM 715 O ALA A 49 6.078 10.548 -0.097 1.00 0.00 O ATOM 716 CB ALA A 49 2.659 10.240 0.329 1.00 0.00 C ATOM 0 H ALA A 49 2.759 11.937 2.109 1.00 0.00 H new ATOM 0 HA ALA A 49 4.364 9.700 1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.857 9.502 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.956 9.826 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.231 11.136 -0.122 1.00 0.00 H new ATOM 722 N ILE A 50 4.629 12.164 -0.693 1.00 0.00 N ATOM 723 CA ILE A 50 5.520 12.747 -1.689 1.00 0.00 C ATOM 724 C ILE A 50 6.914 12.972 -1.115 1.00 0.00 C ATOM 725 O ILE A 50 7.899 13.028 -1.852 1.00 0.00 O ATOM 726 CB ILE A 50 4.973 14.085 -2.219 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.493 14.350 -3.633 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.359 15.222 -1.285 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.660 15.348 -4.407 1.00 0.00 C ATOM 0 H ILE A 50 3.729 12.636 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 50 5.580 12.036 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 50 3.885 14.026 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.518 14.715 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.522 13.409 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.965 16.161 -1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.944 15.036 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.445 15.284 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.088 15.486 -5.400 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.640 14.976 -4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.652 16.302 -3.879 1.00 0.00 H new ATOM 741 N ARG A 51 6.991 13.098 0.206 1.00 0.00 N ATOM 742 CA ARG A 51 8.265 13.316 0.880 1.00 0.00 C ATOM 743 C ARG A 51 9.002 11.996 1.090 1.00 0.00 C ATOM 744 O ARG A 51 10.232 11.958 1.113 1.00 0.00 O ATOM 745 CB ARG A 51 8.043 14.008 2.226 1.00 0.00 C ATOM 746 CG ARG A 51 7.578 15.450 2.100 1.00 0.00 C ATOM 747 CD ARG A 51 7.239 16.046 3.457 1.00 0.00 C ATOM 748 NE ARG A 51 8.432 16.280 4.266 1.00 0.00 N ATOM 749 CZ ARG A 51 8.425 16.958 5.408 1.00 0.00 C ATOM 750 NH1 ARG A 51 7.292 17.466 5.874 1.00 0.00 N ATOM 751 NH2 ARG A 51 9.552 17.128 6.088 1.00 0.00 N ATOM 0 H ARG A 51 6.186 13.053 0.831 1.00 0.00 H new ATOM 0 HA ARG A 51 8.877 13.958 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.304 13.445 2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.972 13.983 2.795 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.358 16.045 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.703 15.496 1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.706 16.986 3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.566 15.374 3.990 1.00 0.00 H new ATOM 0 HE ARG A 51 9.320 15.902 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.423 17.336 5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.289 17.986 6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.425 16.738 5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.545 17.649 6.965 1.00 0.00 H new ATOM 765 N ASN A 52 8.241 10.917 1.243 1.00 0.00 N ATOM 766 CA ASN A 52 8.822 9.596 1.452 1.00 0.00 C ATOM 767 C ASN A 52 9.721 9.205 0.283 1.00 0.00 C ATOM 768 O ASN A 52 10.916 8.973 0.456 1.00 0.00 O ATOM 769 CB ASN A 52 7.717 8.553 1.631 1.00 0.00 C ATOM 770 CG ASN A 52 8.075 7.218 1.007 1.00 0.00 C ATOM 771 OD1 ASN A 52 9.090 6.612 1.350 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.240 6.755 0.084 1.00 0.00 N ATOM 0 H ASN A 52 7.221 10.932 1.226 1.00 0.00 H new ATOM 0 HA ASN A 52 9.429 9.633 2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.522 8.413 2.694 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.795 8.924 1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.428 5.862 -0.372 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.410 7.292 -0.169 1.00 0.00 H new ATOM 779 N GLY A 53 9.135 9.136 -0.909 1.00 0.00 N ATOM 780 CA GLY A 53 9.898 8.773 -2.089 1.00 0.00 C ATOM 781 C GLY A 53 9.723 7.316 -2.467 1.00 0.00 C ATOM 782 O GLY A 53 9.376 7.000 -3.605 1.00 0.00 O ATOM 0 H GLY A 53 8.147 9.325 -1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.590 9.401 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.954 8.975 -1.911 1.00 0.00 H new ATOM 786 N ARG A 54 9.967 6.425 -1.512 1.00 0.00 N ATOM 787 CA ARG A 54 9.838 4.993 -1.751 1.00 0.00 C ATOM 788 C ARG A 54 8.701 4.705 -2.727 1.00 0.00 C ATOM 789 O ARG A 54 8.760 3.749 -3.499 1.00 0.00 O ATOM 790 CB ARG A 54 9.593 4.254 -0.434 1.00 0.00 C ATOM 791 CG ARG A 54 10.845 4.083 0.411 1.00 0.00 C ATOM 792 CD ARG A 54 10.684 2.962 1.425 1.00 0.00 C ATOM 793 NE ARG A 54 11.877 2.796 2.251 1.00 0.00 N ATOM 794 CZ ARG A 54 12.122 3.515 3.341 1.00 0.00 C ATOM 795 NH1 ARG A 54 11.261 4.443 3.734 1.00 0.00 N ATOM 796 NH2 ARG A 54 13.230 3.305 4.040 1.00 0.00 N ATOM 0 H ARG A 54 10.255 6.670 -0.565 1.00 0.00 H new ATOM 0 HA ARG A 54 10.770 4.638 -2.191 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.846 4.798 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.174 3.271 -0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.696 3.870 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.065 5.016 0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.827 3.172 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.472 2.029 0.903 1.00 0.00 H new ATOM 0 HE ARG A 54 12.559 2.089 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.408 4.606 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.451 4.994 4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.894 2.591 3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.418 3.857 4.877 1.00 0.00 H new ATOM 810 N MET A 55 7.667 5.540 -2.686 1.00 0.00 N ATOM 811 CA MET A 55 6.517 5.375 -3.568 1.00 0.00 C ATOM 812 C MET A 55 6.197 6.678 -4.293 1.00 0.00 C ATOM 813 O MET A 55 6.347 7.764 -3.732 1.00 0.00 O ATOM 814 CB MET A 55 5.298 4.909 -2.769 1.00 0.00 C ATOM 815 CG MET A 55 4.666 6.007 -1.929 1.00 0.00 C ATOM 816 SD MET A 55 2.977 5.617 -1.434 1.00 0.00 S ATOM 817 CE MET A 55 2.048 6.411 -2.744 1.00 0.00 C ATOM 0 H MET A 55 7.602 6.337 -2.052 1.00 0.00 H new ATOM 0 HA MET A 55 6.766 4.618 -4.312 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.551 4.515 -3.458 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.594 4.088 -2.116 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.272 6.173 -1.039 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.669 6.939 -2.494 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.581 7.318 -2.360 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.720 6.667 -3.563 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.277 5.731 -3.107 1.00 0.00 H new ATOM 827 N ARG A 56 5.756 6.563 -5.541 1.00 0.00 N ATOM 828 CA ARG A 56 5.416 7.733 -6.342 1.00 0.00 C ATOM 829 C ARG A 56 4.088 7.529 -7.066 1.00 0.00 C ATOM 830 O ARG A 56 3.401 6.530 -6.855 1.00 0.00 O ATOM 831 CB ARG A 56 6.523 8.021 -7.358 1.00 0.00 C ATOM 832 CG ARG A 56 7.599 8.960 -6.836 1.00 0.00 C ATOM 833 CD ARG A 56 8.541 8.250 -5.877 1.00 0.00 C ATOM 834 NE ARG A 56 9.886 8.818 -5.910 1.00 0.00 N ATOM 835 CZ ARG A 56 10.201 9.992 -5.376 1.00 0.00 C ATOM 836 NH1 ARG A 56 9.273 10.720 -4.770 1.00 0.00 N ATOM 837 NH2 ARG A 56 11.448 10.441 -5.447 1.00 0.00 N ATOM 0 H ARG A 56 5.626 5.672 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 56 5.317 8.586 -5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.986 7.080 -7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.078 8.454 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.168 9.365 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.132 9.805 -6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.144 8.316 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.588 7.191 -6.132 1.00 0.00 H new ATOM 0 HE ARG A 56 10.624 8.283 -6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.314 10.378 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.519 11.621 -4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.165 9.884 -5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.689 11.343 -5.037 1.00 0.00 H new ATOM 851 N VAL A 57 3.733 8.483 -7.920 1.00 0.00 N ATOM 852 CA VAL A 57 2.488 8.409 -8.675 1.00 0.00 C ATOM 853 C VAL A 57 2.675 7.620 -9.966 1.00 0.00 C ATOM 854 O VAL A 57 3.698 7.741 -10.638 1.00 0.00 O ATOM 855 CB VAL A 57 1.954 9.813 -9.017 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.704 9.714 -9.878 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.674 10.600 -7.746 1.00 0.00 C ATOM 0 H VAL A 57 4.290 9.317 -8.107 1.00 0.00 H new ATOM 0 HA VAL A 57 1.763 7.898 -8.041 1.00 0.00 H new ATOM 0 HB VAL A 57 2.717 10.344 -9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.341 10.716 -10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.941 9.191 -10.804 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.067 9.165 -9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.298 11.589 -8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.929 10.074 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.594 10.702 -7.171 1.00 0.00 H new ATOM 867 N GLY A 58 1.677 6.810 -10.308 1.00 0.00 N ATOM 868 CA GLY A 58 1.751 6.013 -11.518 1.00 0.00 C ATOM 869 C GLY A 58 2.240 4.603 -11.255 1.00 0.00 C ATOM 870 O GLY A 58 2.077 3.715 -12.092 1.00 0.00 O ATOM 0 H GLY A 58 0.819 6.692 -9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.766 5.972 -11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.419 6.499 -12.229 1.00 0.00 H new ATOM 874 N ASP A 59 2.843 4.396 -10.089 1.00 0.00 N ATOM 875 CA ASP A 59 3.359 3.083 -9.717 1.00 0.00 C ATOM 876 C ASP A 59 2.228 2.064 -9.614 1.00 0.00 C ATOM 877 O ASP A 59 1.065 2.389 -9.847 1.00 0.00 O ATOM 878 CB ASP A 59 4.112 3.165 -8.389 1.00 0.00 C ATOM 879 CG ASP A 59 5.252 4.163 -8.430 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.213 3.933 -9.194 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.185 5.173 -7.698 1.00 0.00 O ATOM 0 H ASP A 59 2.987 5.120 -9.385 1.00 0.00 H new ATOM 0 HA ASP A 59 4.048 2.756 -10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.417 3.444 -7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.504 2.180 -8.136 1.00 0.00 H new ATOM 886 N GLN A 60 2.580 0.832 -9.263 1.00 0.00 N ATOM 887 CA GLN A 60 1.594 -0.235 -9.130 1.00 0.00 C ATOM 888 C GLN A 60 1.644 -0.852 -7.737 1.00 0.00 C ATOM 889 O GLN A 60 2.682 -1.358 -7.309 1.00 0.00 O ATOM 890 CB GLN A 60 1.834 -1.314 -10.188 1.00 0.00 C ATOM 891 CG GLN A 60 0.618 -2.188 -10.451 1.00 0.00 C ATOM 892 CD GLN A 60 0.561 -3.397 -9.539 1.00 0.00 C ATOM 893 OE1 GLN A 60 1.348 -4.334 -9.680 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.374 -3.384 -8.596 1.00 0.00 N ATOM 0 H GLN A 60 3.539 0.547 -9.066 1.00 0.00 H new ATOM 0 HA GLN A 60 0.605 0.198 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.137 -0.837 -11.120 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.663 -1.946 -9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.287 -1.595 -10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.632 -2.521 -11.489 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.005 -2.587 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.461 -4.171 -7.953 1.00 0.00 H new ATOM 903 N ILE A 61 0.517 -0.807 -7.034 1.00 0.00 N ATOM 904 CA ILE A 61 0.433 -1.363 -5.689 1.00 0.00 C ATOM 905 C ILE A 61 -0.142 -2.775 -5.713 1.00 0.00 C ATOM 906 O ILE A 61 -1.183 -3.021 -6.322 1.00 0.00 O ATOM 907 CB ILE A 61 -0.433 -0.482 -4.769 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.083 0.995 -4.963 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.247 -0.891 -3.316 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.194 1.937 -4.556 1.00 0.00 C ATOM 0 H ILE A 61 -0.350 -0.391 -7.374 1.00 0.00 H new ATOM 0 HA ILE A 61 1.449 -1.394 -5.296 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.481 -0.625 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.810 1.228 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.163 1.167 -6.011 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.865 -0.259 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.542 -1.933 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.800 -0.774 -3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.876 2.967 -4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.082 1.731 -5.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.425 1.793 -3.501 1.00 0.00 H new ATOM 922 N ILE A 62 0.542 -3.697 -5.045 1.00 0.00 N ATOM 923 CA ILE A 62 0.097 -5.084 -4.987 1.00 0.00 C ATOM 924 C ILE A 62 -0.266 -5.486 -3.561 1.00 0.00 C ATOM 925 O ILE A 62 -0.910 -6.510 -3.340 1.00 0.00 O ATOM 926 CB ILE A 62 1.176 -6.045 -5.520 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.568 -5.436 -5.335 1.00 0.00 C ATOM 928 CG2 ILE A 62 0.923 -6.365 -6.985 1.00 0.00 C ATOM 929 CD1 ILE A 62 2.875 -4.322 -6.312 1.00 0.00 C ATOM 0 H ILE A 62 1.406 -3.509 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.788 -5.158 -5.619 1.00 0.00 H new ATOM 0 HB ILE A 62 1.127 -6.974 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.655 -5.051 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.317 -6.221 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.694 -7.045 -7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.055 -6.835 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.948 -5.444 -7.568 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.877 -3.938 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.820 -4.706 -7.331 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.149 -3.519 -6.188 1.00 0.00 H new ATOM 941 N GLU A 63 0.152 -4.671 -2.598 1.00 0.00 N ATOM 942 CA GLU A 63 -0.130 -4.941 -1.193 1.00 0.00 C ATOM 943 C GLU A 63 -0.493 -3.657 -0.454 1.00 0.00 C ATOM 944 O GLU A 63 -0.046 -2.570 -0.820 1.00 0.00 O ATOM 945 CB GLU A 63 1.078 -5.602 -0.525 1.00 0.00 C ATOM 946 CG GLU A 63 0.708 -6.535 0.615 1.00 0.00 C ATOM 947 CD GLU A 63 1.923 -7.141 1.290 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.704 -6.382 1.901 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.093 -8.376 1.208 1.00 0.00 O ATOM 0 H GLU A 63 0.687 -3.819 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.981 -5.621 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.636 -6.162 -1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.743 -4.826 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.123 -5.987 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.072 -7.334 0.234 1.00 0.00 H new ATOM 956 N ILE A 64 -1.308 -3.791 0.587 1.00 0.00 N ATOM 957 CA ILE A 64 -1.732 -2.642 1.378 1.00 0.00 C ATOM 958 C ILE A 64 -1.951 -3.029 2.837 1.00 0.00 C ATOM 959 O ILE A 64 -2.892 -3.752 3.163 1.00 0.00 O ATOM 960 CB ILE A 64 -3.028 -2.023 0.823 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.753 -1.318 -0.507 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.625 -1.051 1.830 1.00 0.00 C ATOM 963 CD1 ILE A 64 -3.994 -0.751 -1.159 1.00 0.00 C ATOM 0 H ILE A 64 -1.688 -4.684 0.902 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.932 -1.905 1.316 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.748 -2.822 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.039 -0.511 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.283 -2.023 -1.192 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.541 -0.622 1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.852 -1.580 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.910 -0.254 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.723 -0.266 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.701 -1.557 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.454 -0.021 -0.493 1.00 0.00 H new ATOM 975 N ASN A 65 -1.077 -2.542 3.711 1.00 0.00 N ATOM 976 CA ASN A 65 -1.175 -2.836 5.136 1.00 0.00 C ATOM 977 C ASN A 65 -1.103 -4.339 5.387 1.00 0.00 C ATOM 978 O ASN A 65 -1.622 -4.838 6.385 1.00 0.00 O ATOM 979 CB ASN A 65 -2.480 -2.275 5.704 1.00 0.00 C ATOM 980 CG ASN A 65 -2.335 -0.842 6.179 1.00 0.00 C ATOM 981 OD1 ASN A 65 -1.243 -0.404 6.541 1.00 0.00 O ATOM 982 ND2 ASN A 65 -3.440 -0.105 6.181 1.00 0.00 N ATOM 0 H ASN A 65 -0.292 -1.942 3.458 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.333 -2.361 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.256 -2.325 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.809 -2.899 6.535 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.405 0.866 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.324 -0.510 5.872 1.00 0.00 H new ATOM 1072 N MET A 72 -9.364 -7.136 -3.323 1.00 0.00 N ATOM 1073 CA MET A 72 -9.870 -5.972 -2.606 1.00 0.00 C ATOM 1074 C MET A 72 -10.314 -4.884 -3.579 1.00 0.00 C ATOM 1075 O MET A 72 -9.717 -4.705 -4.641 1.00 0.00 O ATOM 1076 CB MET A 72 -8.798 -5.422 -1.663 1.00 0.00 C ATOM 1077 CG MET A 72 -7.988 -6.504 -0.967 1.00 0.00 C ATOM 1078 SD MET A 72 -7.295 -5.951 0.604 1.00 0.00 S ATOM 1079 CE MET A 72 -6.739 -4.305 0.167 1.00 0.00 C ATOM 0 HA MET A 72 -10.734 -6.285 -2.020 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.122 -4.781 -2.229 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.275 -4.795 -0.909 1.00 0.00 H new ATOM 0 HG2 MET A 72 -8.623 -7.373 -0.794 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.179 -6.826 -1.623 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.842 -4.061 0.736 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.514 -4.268 -0.899 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.522 -3.583 0.398 1.00 0.00 H new ATOM 1089 N THR A 73 -11.365 -4.159 -3.210 1.00 0.00 N ATOM 1090 CA THR A 73 -11.890 -3.091 -4.051 1.00 0.00 C ATOM 1091 C THR A 73 -11.248 -1.752 -3.704 1.00 0.00 C ATOM 1092 O THR A 73 -10.728 -1.569 -2.603 1.00 0.00 O ATOM 1093 CB THR A 73 -13.419 -2.965 -3.912 1.00 0.00 C ATOM 1094 OG1 THR A 73 -13.784 -2.937 -2.527 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.122 -4.123 -4.603 1.00 0.00 C ATOM 0 H THR A 73 -11.870 -4.292 -2.334 1.00 0.00 H new ATOM 0 HA THR A 73 -11.647 -3.352 -5.081 1.00 0.00 H new ATOM 0 HB THR A 73 -13.730 -2.035 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.757 -2.855 -2.447 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.201 -4.013 -4.492 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.865 -4.125 -5.662 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.805 -5.063 -4.151 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.287 -0.819 -4.650 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.709 0.504 -4.443 1.00 0.00 C ATOM 1105 C HIS A 74 -11.165 1.094 -3.112 1.00 0.00 C ATOM 1106 O HIS A 74 -10.425 1.833 -2.464 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.099 1.439 -5.589 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.292 2.699 -5.634 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.656 3.800 -6.381 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.133 3.031 -5.019 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.755 4.753 -6.224 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.821 4.312 -5.402 1.00 0.00 N ATOM 0 H HIS A 74 -11.713 -0.955 -5.567 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.624 0.400 -4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -10.984 0.909 -6.535 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.154 1.696 -5.494 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -11.491 3.868 -6.964 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.560 2.405 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.778 5.727 -6.689 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.388 0.762 -2.711 1.00 0.00 N ATOM 1122 CA ALA A 75 -12.941 1.258 -1.457 1.00 0.00 C ATOM 1123 C ALA A 75 -12.156 0.727 -0.263 1.00 0.00 C ATOM 1124 O ALA A 75 -11.752 1.489 0.615 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.409 0.873 -1.340 1.00 0.00 C ATOM 0 H ALA A 75 -13.014 0.152 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.860 2.345 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.810 1.249 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.966 1.306 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.504 -0.213 -1.366 1.00 0.00 H new ATOM 1131 N ARG A 76 -11.945 -0.585 -0.236 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.209 -1.218 0.853 1.00 0.00 C ATOM 1133 C ARG A 76 -9.852 -0.549 1.053 1.00 0.00 C ATOM 1134 O ARG A 76 -9.574 0.007 2.115 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.018 -2.709 0.569 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.037 -3.388 1.510 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.515 -3.324 2.953 1.00 0.00 C ATOM 1138 NE ARG A 76 -10.089 -4.490 3.722 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.630 -4.842 4.883 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.613 -4.122 5.406 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -10.188 -5.916 5.524 1.00 0.00 N ATOM 0 H ARG A 76 -12.273 -1.230 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.791 -1.101 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.983 -3.210 0.641 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.670 -2.833 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.908 -4.429 1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.061 -2.910 1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.130 -2.419 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.603 -3.255 2.972 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.335 -5.066 3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.956 -3.295 4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.026 -4.395 6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.432 -6.473 5.125 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.604 -6.185 6.415 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.012 -0.609 0.026 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.685 -0.009 0.088 1.00 0.00 C ATOM 1157 C ALA A 77 -7.746 1.399 0.672 1.00 0.00 C ATOM 1158 O ALA A 77 -6.795 1.861 1.303 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.053 0.019 -1.295 1.00 0.00 C ATOM 0 H ALA A 77 -9.227 -1.067 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.067 -0.621 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.062 0.470 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.966 -0.999 -1.676 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.677 0.606 -1.969 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.870 2.075 0.458 1.00 0.00 N ATOM 1166 CA ILE A 78 -9.055 3.429 0.964 1.00 0.00 C ATOM 1167 C ILE A 78 -9.363 3.421 2.457 1.00 0.00 C ATOM 1168 O ILE A 78 -9.009 4.353 3.179 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.190 4.158 0.221 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.834 4.329 -1.257 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.463 5.509 0.865 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -9.009 5.565 -1.541 1.00 0.00 C ATOM 0 H ILE A 78 -9.666 1.707 -0.062 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.119 3.960 0.791 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.095 3.555 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.285 3.450 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.753 4.374 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.268 6.012 0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.756 5.364 1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.562 6.121 0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.794 5.622 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.565 6.451 -1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.073 5.514 -0.985 1.00 0.00 H new ATOM 1184 N GLU A 79 -10.023 2.361 2.914 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.378 2.232 4.323 1.00 0.00 C ATOM 1186 C GLU A 79 -9.223 1.635 5.122 1.00 0.00 C ATOM 1187 O GLU A 79 -9.131 1.823 6.336 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.625 1.359 4.479 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.315 -0.111 4.705 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.554 -0.927 5.018 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.452 -0.997 4.152 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.626 -1.496 6.127 1.00 0.00 O ATOM 0 H GLU A 79 -10.322 1.580 2.330 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.589 3.228 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.215 1.730 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.242 1.458 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.832 -0.517 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.605 -0.207 5.526 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.344 0.916 4.433 1.00 0.00 N ATOM 1200 CA LEU A 80 -7.194 0.291 5.078 1.00 0.00 C ATOM 1201 C LEU A 80 -6.166 1.339 5.492 1.00 0.00 C ATOM 1202 O LEU A 80 -5.591 1.262 6.578 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.550 -0.729 4.137 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.385 -1.969 3.818 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.601 -2.928 2.935 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.824 -2.661 5.100 1.00 0.00 C ATOM 0 H LEU A 80 -8.405 0.751 3.428 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.544 -0.221 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.309 -0.227 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.607 -1.054 4.576 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.276 -1.653 3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.211 -3.805 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.337 -2.430 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.692 -3.237 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.417 -3.541 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.945 -2.963 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.424 -1.974 5.697 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.942 2.317 4.621 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.986 3.382 4.898 1.00 0.00 C ATOM 1220 C ILE A 81 -5.373 4.154 6.155 1.00 0.00 C ATOM 1221 O ILE A 81 -4.512 4.661 6.875 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.879 4.364 3.717 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.608 3.605 2.417 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.784 5.388 3.978 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -5.082 4.336 1.180 1.00 0.00 C ATOM 0 H ILE A 81 -6.409 2.394 3.718 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.018 2.905 5.051 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.827 4.892 3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.538 3.419 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.098 2.633 2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.720 6.075 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.017 5.947 4.885 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.830 4.876 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.857 3.739 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.158 4.499 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.573 5.297 1.108 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.673 4.239 6.413 1.00 0.00 N ATOM 1238 CA LYS A 82 -7.176 4.947 7.585 1.00 0.00 C ATOM 1239 C LYS A 82 -7.459 3.977 8.727 1.00 0.00 C ATOM 1240 O LYS A 82 -7.632 4.388 9.874 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.449 5.721 7.231 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.312 5.028 6.191 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.584 5.811 5.912 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.295 7.086 5.135 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.542 7.830 4.806 1.00 0.00 N ATOM 0 H LYS A 82 -7.398 3.826 5.826 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.409 5.650 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.036 5.872 8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.173 6.709 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.746 4.910 5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.568 4.027 6.538 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.279 5.189 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.073 6.061 6.854 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.634 7.726 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.766 6.838 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.302 8.692 4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.162 7.229 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.034 8.089 5.685 1.00 0.00 H new ATOM 1259 N SER A 83 -7.504 2.688 8.405 1.00 0.00 N ATOM 1260 CA SER A 83 -7.768 1.660 9.405 1.00 0.00 C ATOM 1261 C SER A 83 -6.496 1.304 10.168 1.00 0.00 C ATOM 1262 O SER A 83 -6.542 0.956 11.347 1.00 0.00 O ATOM 1263 CB SER A 83 -8.344 0.408 8.739 1.00 0.00 C ATOM 1264 OG SER A 83 -8.501 -0.642 9.678 1.00 0.00 O ATOM 0 H SER A 83 -7.361 2.331 7.460 1.00 0.00 H new ATOM 0 HA SER A 83 -8.496 2.055 10.113 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.308 0.643 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.685 0.084 7.934 1.00 0.00 H new ATOM 0 HG SER A 83 -8.872 -1.430 9.229 1.00 0.00 H new ATOM 1270 N GLY A 84 -5.359 1.395 9.485 1.00 0.00 N ATOM 1271 CA GLY A 84 -4.089 1.080 10.113 1.00 0.00 C ATOM 1272 C GLY A 84 -3.681 2.111 11.146 1.00 0.00 C ATOM 1273 O GLY A 84 -3.180 1.765 12.215 1.00 0.00 O ATOM 0 H GLY A 84 -5.295 1.681 8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.155 0.101 10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.316 1.012 9.348 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.896 3.384 10.826 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.540 4.450 11.745 1.00 0.00 C ATOM 1279 C GLY A 85 -2.801 5.583 11.060 1.00 0.00 C ATOM 1280 O GLY A 85 -3.264 6.113 10.050 1.00 0.00 O ATOM 0 H GLY A 85 -4.310 3.696 9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.444 4.840 12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.918 4.045 12.543 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.651 5.955 11.611 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.848 7.034 11.048 1.00 0.00 C ATOM 1286 C ARG A 86 0.272 6.479 10.173 1.00 0.00 C ATOM 1287 O ARG A 86 0.802 7.178 9.309 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.258 7.896 12.166 1.00 0.00 C ATOM 1289 CG ARG A 86 -1.099 9.115 12.504 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.925 9.527 13.958 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.892 8.870 14.832 1.00 0.00 N ATOM 1292 CZ ARG A 86 -3.159 9.254 14.946 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -3.608 10.285 14.245 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -3.979 8.605 15.764 1.00 0.00 N ATOM 0 H ARG A 86 -1.254 5.525 12.447 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.498 7.651 10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.143 7.285 13.061 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.739 8.223 11.873 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.818 9.944 11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.149 8.899 12.309 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.085 9.282 14.286 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.034 10.608 14.044 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.578 8.073 15.385 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.981 10.786 13.616 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.581 10.578 14.334 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.636 7.811 16.305 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.951 8.900 15.851 1.00 0.00 H new ATOM 1308 N ARG A 87 0.627 5.219 10.403 1.00 0.00 N ATOM 1309 CA ARG A 87 1.685 4.572 9.637 1.00 0.00 C ATOM 1310 C ARG A 87 1.109 3.511 8.703 1.00 0.00 C ATOM 1311 O ARG A 87 0.431 2.583 9.144 1.00 0.00 O ATOM 1312 CB ARG A 87 2.709 3.935 10.579 1.00 0.00 C ATOM 1313 CG ARG A 87 3.188 4.869 11.678 1.00 0.00 C ATOM 1314 CD ARG A 87 3.863 4.102 12.805 1.00 0.00 C ATOM 1315 NE ARG A 87 2.894 3.519 13.728 1.00 0.00 N ATOM 1316 CZ ARG A 87 3.209 2.620 14.653 1.00 0.00 C ATOM 1317 NH1 ARG A 87 4.462 2.203 14.778 1.00 0.00 N ATOM 1318 NH2 ARG A 87 2.271 2.135 15.457 1.00 0.00 N ATOM 0 H ARG A 87 0.197 4.626 11.113 1.00 0.00 H new ATOM 0 HA ARG A 87 2.180 5.333 9.034 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.269 3.048 11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.568 3.602 9.997 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.886 5.595 11.261 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.342 5.431 12.074 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.484 3.311 12.384 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.527 4.771 13.352 1.00 0.00 H new ATOM 0 HE ARG A 87 1.921 3.819 13.659 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.186 2.573 14.163 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.701 1.512 15.489 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.306 2.453 15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.515 1.444 16.167 1.00 0.00 H new ATOM 1332 N VAL A 88 1.382 3.657 7.411 1.00 0.00 N ATOM 1333 CA VAL A 88 0.892 2.712 6.414 1.00 0.00 C ATOM 1334 C VAL A 88 2.040 2.125 5.602 1.00 0.00 C ATOM 1335 O VAL A 88 3.017 2.812 5.302 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.112 3.379 5.455 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.548 4.522 4.701 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.687 2.353 4.489 1.00 0.00 C ATOM 0 H VAL A 88 1.940 4.421 7.029 1.00 0.00 H new ATOM 0 HA VAL A 88 0.389 1.912 6.957 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.932 3.790 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.177 4.981 4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.907 5.267 5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.388 4.139 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.394 2.841 3.819 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.120 1.911 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.199 1.572 5.050 1.00 0.00 H new ATOM 1348 N ARG A 89 1.916 0.850 5.249 1.00 0.00 N ATOM 1349 CA ARG A 89 2.945 0.169 4.471 1.00 0.00 C ATOM 1350 C ARG A 89 2.320 -0.669 3.359 1.00 0.00 C ATOM 1351 O ARG A 89 1.602 -1.634 3.623 1.00 0.00 O ATOM 1352 CB ARG A 89 3.795 -0.722 5.379 1.00 0.00 C ATOM 1353 CG ARG A 89 4.674 -1.702 4.621 1.00 0.00 C ATOM 1354 CD ARG A 89 5.121 -2.853 5.509 1.00 0.00 C ATOM 1355 NE ARG A 89 6.232 -2.474 6.378 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.626 -3.194 7.423 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.003 -4.324 7.726 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.645 -2.784 8.166 1.00 0.00 N ATOM 0 H ARG A 89 1.114 0.268 5.489 1.00 0.00 H new ATOM 0 HA ARG A 89 3.583 0.927 4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.426 -0.091 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.137 -1.278 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.128 -2.094 3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.549 -1.181 4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 89 4.282 -3.188 6.119 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.419 -3.697 4.886 1.00 0.00 H new ATOM 0 HE ARG A 89 6.733 -1.610 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.219 -4.643 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.307 -4.875 8.529 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.127 -1.915 7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.947 -3.337 8.968 1.00 0.00 H new ATOM 1372 N LEU A 90 2.598 -0.293 2.116 1.00 0.00 N ATOM 1373 CA LEU A 90 2.064 -1.009 0.962 1.00 0.00 C ATOM 1374 C LEU A 90 3.184 -1.433 0.018 1.00 0.00 C ATOM 1375 O LEU A 90 4.214 -0.766 -0.080 1.00 0.00 O ATOM 1376 CB LEU A 90 1.056 -0.133 0.216 1.00 0.00 C ATOM 1377 CG LEU A 90 1.280 1.377 0.309 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.887 2.056 -0.994 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.497 1.961 1.475 1.00 0.00 C ATOM 0 H LEU A 90 3.190 0.504 1.881 1.00 0.00 H new ATOM 0 HA LEU A 90 1.560 -1.906 1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.067 -0.417 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.059 -0.356 0.597 1.00 0.00 H new ATOM 0 HG LEU A 90 2.341 1.558 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.053 3.130 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.492 1.658 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.167 1.867 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.668 3.036 1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.566 1.769 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.827 1.497 2.404 1.00 0.00 H new ATOM 1391 N LEU A 91 2.974 -2.546 -0.677 1.00 0.00 N ATOM 1392 CA LEU A 91 3.965 -3.059 -1.617 1.00 0.00 C ATOM 1393 C LEU A 91 3.787 -2.429 -2.994 1.00 0.00 C ATOM 1394 O LEU A 91 2.789 -2.670 -3.675 1.00 0.00 O ATOM 1395 CB LEU A 91 3.858 -4.581 -1.722 1.00 0.00 C ATOM 1396 CG LEU A 91 5.109 -5.310 -2.213 1.00 0.00 C ATOM 1397 CD1 LEU A 91 4.888 -6.815 -2.201 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.489 -4.836 -3.608 1.00 0.00 C ATOM 0 H LEU A 91 2.127 -3.110 -0.607 1.00 0.00 H new ATOM 0 HA LEU A 91 4.954 -2.796 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.594 -4.975 -0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.034 -4.822 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 91 5.931 -5.078 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.789 -7.318 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.664 -7.142 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.053 -7.065 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.382 -5.365 -3.942 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.669 -5.038 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.689 -3.765 -3.586 1.00 0.00 H new ATOM 1410 N LEU A 92 4.761 -1.622 -3.401 1.00 0.00 N ATOM 1411 CA LEU A 92 4.714 -0.959 -4.699 1.00 0.00 C ATOM 1412 C LEU A 92 5.896 -1.377 -5.568 1.00 0.00 C ATOM 1413 O LEU A 92 6.915 -1.847 -5.063 1.00 0.00 O ATOM 1414 CB LEU A 92 4.711 0.560 -4.518 1.00 0.00 C ATOM 1415 CG LEU A 92 4.286 1.380 -5.736 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.773 1.367 -5.888 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.799 2.808 -5.623 1.00 0.00 C ATOM 0 H LEU A 92 5.593 -1.411 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 92 3.794 -1.261 -5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.046 0.806 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.713 0.873 -4.226 1.00 0.00 H new ATOM 0 HG LEU A 92 4.724 0.926 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.490 1.956 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.429 0.341 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.314 1.795 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.487 3.377 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.391 3.271 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.887 2.800 -5.564 1.00 0.00 H new