USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 427 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 38 SER OG : rot 130:sc= 0.761 USER MOD Set 1.2: A 49 LYS NZ :NH3+ 175:sc= 0.866 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -80:sc= 1.23 USER MOD Single : A 26 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.88) USER MOD Single : A 27 SER OG : rot 64:sc= 0.446 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.511 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 31 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.47) USER MOD Single : A 36 MET CE :methyl -169:sc= -0.0761 (180deg=-0.334) USER MOD Single : A 39 THR OG1 : rot -75:sc= 1.32 USER MOD Single : A 85 SER OG : rot 140:sc= 0.475 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.483 K(o=0.48,f=-3.8!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 196 N GLU A 13 13.607 2.758 -0.922 1.00 0.00 N ATOM 197 CA GLU A 13 14.002 2.709 -2.337 1.00 0.00 C ATOM 198 C GLU A 13 14.189 4.120 -2.910 1.00 0.00 C ATOM 199 O GLU A 13 15.201 4.399 -3.554 1.00 0.00 O ATOM 200 CB GLU A 13 12.969 1.916 -3.152 1.00 0.00 C ATOM 201 CG GLU A 13 12.848 0.454 -2.699 1.00 0.00 C ATOM 202 CD GLU A 13 14.138 -0.361 -2.921 1.00 0.00 C ATOM 203 OE1 GLU A 13 14.527 -0.587 -4.095 1.00 0.00 O ATOM 204 OE2 GLU A 13 14.759 -0.789 -1.918 1.00 0.00 O ATOM 0 HA GLU A 13 14.962 2.197 -2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.996 2.400 -3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.246 1.943 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.588 0.429 -1.641 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.029 -0.020 -3.240 1.00 0.00 H new ATOM 211 N VAL A 14 13.251 5.035 -2.615 1.00 0.00 N ATOM 212 CA VAL A 14 13.355 6.448 -3.020 1.00 0.00 C ATOM 213 C VAL A 14 14.382 7.211 -2.170 1.00 0.00 C ATOM 214 O VAL A 14 15.122 8.028 -2.716 1.00 0.00 O ATOM 215 CB VAL A 14 11.966 7.121 -3.081 1.00 0.00 C ATOM 216 CG1 VAL A 14 11.295 7.304 -1.718 1.00 0.00 C ATOM 217 CG2 VAL A 14 12.024 8.479 -3.789 1.00 0.00 C ATOM 0 H VAL A 14 12.403 4.818 -2.092 1.00 0.00 H new ATOM 0 HA VAL A 14 13.744 6.482 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 14 11.356 6.423 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.325 7.783 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.157 6.331 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.924 7.928 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.028 8.920 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.702 9.141 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.384 8.343 -4.809 1.00 0.00 H new ATOM 227 N ASP A 15 14.511 6.903 -0.872 1.00 0.00 N ATOM 228 CA ASP A 15 15.588 7.455 -0.032 1.00 0.00 C ATOM 229 C ASP A 15 16.987 7.061 -0.549 1.00 0.00 C ATOM 230 O ASP A 15 17.856 7.919 -0.713 1.00 0.00 O ATOM 231 CB ASP A 15 15.394 6.989 1.414 1.00 0.00 C ATOM 232 CG ASP A 15 16.556 7.436 2.321 1.00 0.00 C ATOM 233 OD1 ASP A 15 16.702 8.660 2.556 1.00 0.00 O ATOM 234 OD2 ASP A 15 17.318 6.568 2.807 1.00 0.00 O ATOM 0 H ASP A 15 13.881 6.272 -0.377 1.00 0.00 H new ATOM 0 HA ASP A 15 15.531 8.543 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.457 7.388 1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.312 5.902 1.438 1.00 0.00 H new ATOM 239 N GLU A 16 17.184 5.781 -0.879 1.00 0.00 N ATOM 240 CA GLU A 16 18.421 5.267 -1.469 1.00 0.00 C ATOM 241 C GLU A 16 18.694 5.856 -2.858 1.00 0.00 C ATOM 242 O GLU A 16 19.837 6.205 -3.149 1.00 0.00 O ATOM 243 CB GLU A 16 18.343 3.736 -1.530 1.00 0.00 C ATOM 244 CG GLU A 16 19.547 3.080 -2.210 1.00 0.00 C ATOM 245 CD GLU A 16 19.523 1.568 -1.920 1.00 0.00 C ATOM 246 OE1 GLU A 16 18.694 0.830 -2.500 1.00 0.00 O ATOM 247 OE2 GLU A 16 20.266 1.099 -1.025 1.00 0.00 O ATOM 0 H GLU A 16 16.475 5.061 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 16 19.256 5.572 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.254 3.346 -0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.436 3.449 -2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.516 3.258 -3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 16 20.474 3.520 -1.841 1.00 0.00 H new ATOM 254 N ALA A 17 17.675 6.016 -3.707 1.00 0.00 N ATOM 255 CA ALA A 17 17.854 6.630 -5.022 1.00 0.00 C ATOM 256 C ALA A 17 18.282 8.109 -4.912 1.00 0.00 C ATOM 257 O ALA A 17 19.210 8.537 -5.602 1.00 0.00 O ATOM 258 CB ALA A 17 16.562 6.472 -5.830 1.00 0.00 C ATOM 0 H ALA A 17 16.718 5.728 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 17 18.663 6.118 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.689 6.928 -6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.334 5.413 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.742 6.963 -5.305 1.00 0.00 H new ATOM 264 N ILE A 18 17.663 8.875 -4.001 1.00 0.00 N ATOM 265 CA ILE A 18 18.049 10.265 -3.704 1.00 0.00 C ATOM 266 C ILE A 18 19.484 10.327 -3.157 1.00 0.00 C ATOM 267 O ILE A 18 20.287 11.103 -3.672 1.00 0.00 O ATOM 268 CB ILE A 18 17.004 10.926 -2.764 1.00 0.00 C ATOM 269 CG1 ILE A 18 15.728 11.233 -3.584 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.536 12.209 -2.090 1.00 0.00 C ATOM 271 CD1 ILE A 18 14.525 11.742 -2.774 1.00 0.00 C ATOM 0 H ILE A 18 16.874 8.546 -3.445 1.00 0.00 H new ATOM 0 HA ILE A 18 18.050 10.845 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 18 16.781 10.228 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.975 11.977 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.431 10.327 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.764 12.628 -1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 18 18.416 11.969 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.804 12.938 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.686 11.926 -3.445 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.241 10.993 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.794 12.669 -2.267 1.00 0.00 H new ATOM 283 N ASP A 19 19.845 9.486 -2.185 1.00 0.00 N ATOM 284 CA ASP A 19 21.203 9.421 -1.623 1.00 0.00 C ATOM 285 C ASP A 19 22.264 9.003 -2.666 1.00 0.00 C ATOM 286 O ASP A 19 23.339 9.602 -2.731 1.00 0.00 O ATOM 287 CB ASP A 19 21.171 8.454 -0.434 1.00 0.00 C ATOM 288 CG ASP A 19 22.532 8.355 0.264 1.00 0.00 C ATOM 289 OD1 ASP A 19 22.833 9.191 1.148 1.00 0.00 O ATOM 290 OD2 ASP A 19 23.318 7.435 -0.053 1.00 0.00 O ATOM 0 H ASP A 19 19.198 8.822 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 19 21.502 10.417 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 19 20.420 8.786 0.283 1.00 0.00 H new ATOM 0 HB3 ASP A 19 20.868 7.465 -0.779 1.00 0.00 H new ATOM 295 N ASN A 20 21.948 8.047 -3.544 1.00 0.00 N ATOM 296 CA ASN A 20 22.826 7.637 -4.637 1.00 0.00 C ATOM 297 C ASN A 20 23.052 8.774 -5.650 1.00 0.00 C ATOM 298 O ASN A 20 24.199 9.035 -6.013 1.00 0.00 O ATOM 299 CB ASN A 20 22.246 6.375 -5.301 1.00 0.00 C ATOM 300 CG ASN A 20 23.140 5.879 -6.428 1.00 0.00 C ATOM 301 OD1 ASN A 20 24.218 5.344 -6.205 1.00 0.00 O ATOM 302 ND2 ASN A 20 22.738 6.053 -7.668 1.00 0.00 N ATOM 0 H ASN A 20 21.067 7.533 -3.514 1.00 0.00 H new ATOM 0 HA ASN A 20 23.810 7.401 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 20 22.130 5.590 -4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 20 21.252 6.592 -5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 20 23.324 5.742 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.840 6.499 -7.855 1.00 0.00 H new ATOM 309 N ILE A 21 21.998 9.495 -6.054 1.00 0.00 N ATOM 310 CA ILE A 21 22.127 10.677 -6.929 1.00 0.00 C ATOM 311 C ILE A 21 22.931 11.782 -6.236 1.00 0.00 C ATOM 312 O ILE A 21 23.839 12.351 -6.843 1.00 0.00 O ATOM 313 CB ILE A 21 20.733 11.173 -7.383 1.00 0.00 C ATOM 314 CG1 ILE A 21 20.154 10.206 -8.440 1.00 0.00 C ATOM 315 CG2 ILE A 21 20.811 12.597 -7.964 1.00 0.00 C ATOM 316 CD1 ILE A 21 18.636 10.347 -8.632 1.00 0.00 C ATOM 0 H ILE A 21 21.037 9.281 -5.788 1.00 0.00 H new ATOM 0 HA ILE A 21 22.679 10.390 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 21 20.079 11.197 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 21 20.651 10.383 -9.394 1.00 0.00 H new ATOM 0 HG13 ILE A 21 20.382 9.181 -8.147 1.00 0.00 H new ATOM 0 HG21 ILE A 21 19.817 12.918 -8.274 1.00 0.00 H new ATOM 0 HG22 ILE A 21 21.192 13.279 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 21 21.479 12.603 -8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 21 18.298 9.638 -9.388 1.00 0.00 H new ATOM 0 HD12 ILE A 21 18.129 10.141 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 21 18.403 11.361 -8.955 1.00 0.00 H new ATOM 328 N LEU A 22 22.647 12.054 -4.963 1.00 0.00 N ATOM 329 CA LEU A 22 23.332 13.070 -4.160 1.00 0.00 C ATOM 330 C LEU A 22 24.856 12.837 -4.118 1.00 0.00 C ATOM 331 O LEU A 22 25.634 13.766 -4.349 1.00 0.00 O ATOM 332 CB LEU A 22 22.690 13.015 -2.760 1.00 0.00 C ATOM 333 CG LEU A 22 23.237 14.017 -1.742 1.00 0.00 C ATOM 334 CD1 LEU A 22 22.829 15.439 -2.118 1.00 0.00 C ATOM 335 CD2 LEU A 22 22.686 13.693 -0.355 1.00 0.00 C ATOM 0 H LEU A 22 21.917 11.563 -4.448 1.00 0.00 H new ATOM 0 HA LEU A 22 23.215 14.062 -4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 22 21.618 13.180 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 22 22.820 12.010 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 22 24.325 13.946 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 22 23.227 16.138 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 22 23.227 15.683 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 22 21.742 15.513 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.077 14.408 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 22 21.598 13.753 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 22 22.989 12.686 -0.069 1.00 0.00 H new ATOM 347 N ARG A 23 25.276 11.584 -3.892 1.00 0.00 N ATOM 348 CA ARG A 23 26.701 11.192 -3.880 1.00 0.00 C ATOM 349 C ARG A 23 27.317 11.164 -5.283 1.00 0.00 C ATOM 350 O ARG A 23 28.401 11.711 -5.466 1.00 0.00 O ATOM 351 CB ARG A 23 26.867 9.835 -3.169 1.00 0.00 C ATOM 352 CG ARG A 23 26.542 9.941 -1.672 1.00 0.00 C ATOM 353 CD ARG A 23 26.622 8.574 -0.980 1.00 0.00 C ATOM 354 NE ARG A 23 25.862 8.596 0.277 1.00 0.00 N ATOM 355 CZ ARG A 23 26.229 9.015 1.469 1.00 0.00 C ATOM 356 NH1 ARG A 23 27.461 9.324 1.769 1.00 0.00 N ATOM 357 NH2 ARG A 23 25.316 9.144 2.381 1.00 0.00 N ATOM 0 H ARG A 23 24.639 10.808 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 23 27.247 11.954 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.212 9.097 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 23 27.889 9.479 -3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.238 10.632 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 23 25.542 10.356 -1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 23 26.227 7.801 -1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.663 8.320 -0.780 1.00 0.00 H new ATOM 0 HE ARG A 23 24.911 8.233 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 23 28.193 9.245 1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.692 9.644 2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 23 24.344 8.923 2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.570 9.467 3.315 1.00 0.00 H new ATOM 371 N TYR A 24 26.619 10.606 -6.279 1.00 0.00 N ATOM 372 CA TYR A 24 27.090 10.533 -7.672 1.00 0.00 C ATOM 373 C TYR A 24 27.305 11.924 -8.302 1.00 0.00 C ATOM 374 O TYR A 24 28.299 12.146 -8.995 1.00 0.00 O ATOM 375 CB TYR A 24 26.078 9.708 -8.486 1.00 0.00 C ATOM 376 CG TYR A 24 26.366 9.593 -9.974 1.00 0.00 C ATOM 377 CD1 TYR A 24 27.582 9.039 -10.422 1.00 0.00 C ATOM 378 CD2 TYR A 24 25.402 10.022 -10.911 1.00 0.00 C ATOM 379 CE1 TYR A 24 27.847 8.931 -11.802 1.00 0.00 C ATOM 380 CE2 TYR A 24 25.658 9.901 -12.293 1.00 0.00 C ATOM 381 CZ TYR A 24 26.883 9.365 -12.742 1.00 0.00 C ATOM 382 OH TYR A 24 27.119 9.261 -14.081 1.00 0.00 O ATOM 0 H TYR A 24 25.700 10.187 -6.141 1.00 0.00 H new ATOM 0 HA TYR A 24 28.067 10.049 -7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 24 26.033 8.704 -8.065 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.090 10.151 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 24 28.313 8.696 -9.705 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.468 10.443 -10.570 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.785 8.517 -12.142 1.00 0.00 H new ATOM 0 HE2 TYR A 24 24.915 10.219 -13.009 1.00 0.00 H new ATOM 0 HH TYR A 24 26.348 9.607 -14.577 1.00 0.00 H new ATOM 392 N THR A 25 26.413 12.878 -8.010 1.00 0.00 N ATOM 393 CA THR A 25 26.524 14.280 -8.462 1.00 0.00 C ATOM 394 C THR A 25 27.473 15.139 -7.611 1.00 0.00 C ATOM 395 O THR A 25 27.725 16.290 -7.971 1.00 0.00 O ATOM 396 CB THR A 25 25.147 14.956 -8.550 1.00 0.00 C ATOM 397 OG1 THR A 25 24.511 14.973 -7.295 1.00 0.00 O ATOM 398 CG2 THR A 25 24.214 14.273 -9.550 1.00 0.00 C ATOM 0 H THR A 25 25.581 12.701 -7.446 1.00 0.00 H new ATOM 0 HA THR A 25 26.963 14.218 -9.458 1.00 0.00 H new ATOM 0 HB THR A 25 25.340 15.972 -8.893 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.109 14.097 -7.120 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.257 14.794 -9.569 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.662 14.301 -10.543 1.00 0.00 H new ATOM 0 HG23 THR A 25 24.057 13.236 -9.252 1.00 0.00 H new ATOM 406 N ASN A 26 28.005 14.603 -6.500 1.00 0.00 N ATOM 407 CA ASN A 26 28.903 15.298 -5.565 1.00 0.00 C ATOM 408 C ASN A 26 28.354 16.672 -5.101 1.00 0.00 C ATOM 409 O ASN A 26 29.084 17.662 -5.007 1.00 0.00 O ATOM 410 CB ASN A 26 30.331 15.324 -6.148 1.00 0.00 C ATOM 411 CG ASN A 26 31.405 15.673 -5.124 1.00 0.00 C ATOM 412 OD1 ASN A 26 31.222 15.597 -3.917 1.00 0.00 O ATOM 413 ND2 ASN A 26 32.588 16.027 -5.579 1.00 0.00 N ATOM 0 H ASN A 26 27.815 13.641 -6.219 1.00 0.00 H new ATOM 0 HA ASN A 26 28.954 14.736 -4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 26 30.556 14.348 -6.579 1.00 0.00 H new ATOM 0 HB3 ASN A 26 30.368 16.048 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.344 16.236 -4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 26 32.749 16.093 -6.584 1.00 0.00 H new ATOM 420 N SER A 27 27.037 16.720 -4.873 1.00 0.00 N ATOM 421 CA SER A 27 26.270 17.954 -4.620 1.00 0.00 C ATOM 422 C SER A 27 25.596 17.963 -3.238 1.00 0.00 C ATOM 423 O SER A 27 25.586 16.950 -2.536 1.00 0.00 O ATOM 424 CB SER A 27 25.230 18.128 -5.738 1.00 0.00 C ATOM 425 OG SER A 27 25.880 18.440 -6.959 1.00 0.00 O ATOM 0 H SER A 27 26.456 15.882 -4.858 1.00 0.00 H new ATOM 0 HA SER A 27 26.966 18.793 -4.620 1.00 0.00 H new ATOM 0 HB2 SER A 27 24.647 17.214 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 27 24.531 18.922 -5.475 1.00 0.00 H new ATOM 0 HG SER A 27 26.449 17.689 -7.228 1.00 0.00 H new ATOM 431 N THR A 28 25.021 19.107 -2.844 1.00 0.00 N ATOM 432 CA THR A 28 24.156 19.216 -1.649 1.00 0.00 C ATOM 433 C THR A 28 22.697 18.905 -1.999 1.00 0.00 C ATOM 434 O THR A 28 22.285 18.988 -3.158 1.00 0.00 O ATOM 435 CB THR A 28 24.258 20.598 -0.982 1.00 0.00 C ATOM 436 OG1 THR A 28 23.641 21.565 -1.800 1.00 0.00 O ATOM 437 CG2 THR A 28 25.695 21.053 -0.740 1.00 0.00 C ATOM 0 H THR A 28 25.140 19.989 -3.343 1.00 0.00 H new ATOM 0 HA THR A 28 24.514 18.477 -0.933 1.00 0.00 H new ATOM 0 HB THR A 28 23.764 20.501 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 28 23.706 22.444 -1.372 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.691 22.035 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 28 26.198 20.339 -0.088 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.224 21.111 -1.692 1.00 0.00 H new ATOM 445 N GLU A 29 21.872 18.600 -0.993 1.00 0.00 N ATOM 446 CA GLU A 29 20.429 18.368 -1.195 1.00 0.00 C ATOM 447 C GLU A 29 19.707 19.649 -1.657 1.00 0.00 C ATOM 448 O GLU A 29 18.784 19.585 -2.466 1.00 0.00 O ATOM 449 CB GLU A 29 19.809 17.786 0.087 1.00 0.00 C ATOM 450 CG GLU A 29 20.423 16.426 0.463 1.00 0.00 C ATOM 451 CD GLU A 29 19.812 15.814 1.740 1.00 0.00 C ATOM 452 OE1 GLU A 29 19.730 16.502 2.787 1.00 0.00 O ATOM 453 OE2 GLU A 29 19.427 14.621 1.706 1.00 0.00 O ATOM 0 H GLU A 29 22.176 18.506 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 29 20.302 17.639 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 29 19.952 18.487 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.734 17.672 -0.051 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.286 15.732 -0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.497 16.546 0.604 1.00 0.00 H new ATOM 460 N GLN A 30 20.188 20.826 -1.230 1.00 0.00 N ATOM 461 CA GLN A 30 19.702 22.122 -1.725 1.00 0.00 C ATOM 462 C GLN A 30 20.075 22.355 -3.200 1.00 0.00 C ATOM 463 O GLN A 30 19.217 22.758 -3.985 1.00 0.00 O ATOM 464 CB GLN A 30 20.230 23.260 -0.839 1.00 0.00 C ATOM 465 CG GLN A 30 19.647 23.215 0.588 1.00 0.00 C ATOM 466 CD GLN A 30 20.126 24.365 1.483 1.00 0.00 C ATOM 467 OE1 GLN A 30 20.917 25.221 1.110 1.00 0.00 O ATOM 468 NE2 GLN A 30 19.659 24.432 2.713 1.00 0.00 N ATOM 0 H GLN A 30 20.926 20.906 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 30 18.613 22.109 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 30 21.317 23.201 -0.786 1.00 0.00 H new ATOM 0 HB3 GLN A 30 19.985 24.218 -1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 30 18.559 23.241 0.528 1.00 0.00 H new ATOM 0 HG3 GLN A 30 19.918 22.267 1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.999 23.730 3.047 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.958 25.186 3.332 1.00 0.00 H new ATOM 477 N GLN A 31 21.311 22.032 -3.613 1.00 0.00 N ATOM 478 CA GLN A 31 21.721 22.105 -5.023 1.00 0.00 C ATOM 479 C GLN A 31 20.933 21.114 -5.894 1.00 0.00 C ATOM 480 O GLN A 31 20.515 21.471 -6.995 1.00 0.00 O ATOM 481 CB GLN A 31 23.233 21.850 -5.156 1.00 0.00 C ATOM 482 CG GLN A 31 24.092 23.041 -4.693 1.00 0.00 C ATOM 483 CD GLN A 31 24.050 24.255 -5.626 1.00 0.00 C ATOM 484 OE1 GLN A 31 23.535 24.232 -6.737 1.00 0.00 O ATOM 485 NE2 GLN A 31 24.610 25.372 -5.208 1.00 0.00 N ATOM 0 H GLN A 31 22.049 21.715 -2.984 1.00 0.00 H new ATOM 0 HA GLN A 31 21.498 23.110 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 31 23.499 20.969 -4.571 1.00 0.00 H new ATOM 0 HB3 GLN A 31 23.467 21.624 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 31 23.759 23.349 -3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 31 25.126 22.710 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 31 25.044 25.411 -4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 31 24.609 26.198 -5.807 1.00 0.00 H new ATOM 494 N PHE A 32 20.661 19.904 -5.391 1.00 0.00 N ATOM 495 CA PHE A 32 19.825 18.925 -6.095 1.00 0.00 C ATOM 496 C PHE A 32 18.378 19.422 -6.255 1.00 0.00 C ATOM 497 O PHE A 32 17.839 19.369 -7.362 1.00 0.00 O ATOM 498 CB PHE A 32 19.935 17.563 -5.381 1.00 0.00 C ATOM 499 CG PHE A 32 19.222 16.361 -5.993 1.00 0.00 C ATOM 500 CD1 PHE A 32 18.802 16.333 -7.342 1.00 0.00 C ATOM 501 CD2 PHE A 32 19.002 15.227 -5.188 1.00 0.00 C ATOM 502 CE1 PHE A 32 18.124 15.213 -7.853 1.00 0.00 C ATOM 503 CE2 PHE A 32 18.333 14.103 -5.705 1.00 0.00 C ATOM 504 CZ PHE A 32 17.877 14.102 -7.031 1.00 0.00 C ATOM 0 H PHE A 32 21.012 19.578 -4.490 1.00 0.00 H new ATOM 0 HA PHE A 32 20.189 18.795 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 32 20.993 17.315 -5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 32 19.559 17.690 -4.366 1.00 0.00 H new ATOM 0 HD1 PHE A 32 19.003 17.178 -7.984 1.00 0.00 H new ATOM 0 HD2 PHE A 32 19.350 15.220 -4.166 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.792 15.207 -8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 32 18.170 13.238 -5.079 1.00 0.00 H new ATOM 0 HZ PHE A 32 17.338 13.250 -7.418 1.00 0.00 H new ATOM 514 N LEU A 33 17.769 19.991 -5.208 1.00 0.00 N ATOM 515 CA LEU A 33 16.432 20.601 -5.295 1.00 0.00 C ATOM 516 C LEU A 33 16.404 21.766 -6.298 1.00 0.00 C ATOM 517 O LEU A 33 15.518 21.832 -7.147 1.00 0.00 O ATOM 518 CB LEU A 33 15.988 20.994 -3.869 1.00 0.00 C ATOM 519 CG LEU A 33 14.566 21.566 -3.665 1.00 0.00 C ATOM 520 CD1 LEU A 33 14.407 23.018 -4.114 1.00 0.00 C ATOM 521 CD2 LEU A 33 13.476 20.720 -4.330 1.00 0.00 C ATOM 0 H LEU A 33 18.185 20.043 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 33 15.711 19.885 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.082 20.110 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.698 21.731 -3.493 1.00 0.00 H new ATOM 0 HG LEU A 33 14.435 21.531 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.382 23.343 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.091 23.651 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.635 23.097 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.502 21.175 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.660 20.668 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.490 19.714 -3.911 1.00 0.00 H new ATOM 533 N GLU A 34 17.410 22.637 -6.261 1.00 0.00 N ATOM 534 CA GLU A 34 17.531 23.767 -7.191 1.00 0.00 C ATOM 535 C GLU A 34 17.717 23.321 -8.651 1.00 0.00 C ATOM 536 O GLU A 34 17.094 23.882 -9.548 1.00 0.00 O ATOM 537 CB GLU A 34 18.660 24.702 -6.726 1.00 0.00 C ATOM 538 CG GLU A 34 18.678 26.018 -7.512 1.00 0.00 C ATOM 539 CD GLU A 34 19.715 27.002 -6.935 1.00 0.00 C ATOM 540 OE1 GLU A 34 19.442 27.643 -5.890 1.00 0.00 O ATOM 541 OE2 GLU A 34 20.806 27.163 -7.534 1.00 0.00 O ATOM 0 H GLU A 34 18.170 22.582 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 34 16.590 24.317 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.539 24.916 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 34 19.619 24.197 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.908 25.816 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.688 26.473 -7.486 1.00 0.00 H new ATOM 548 N ALA A 35 18.507 22.272 -8.894 1.00 0.00 N ATOM 549 CA ALA A 35 18.678 21.689 -10.228 1.00 0.00 C ATOM 550 C ALA A 35 17.386 21.038 -10.745 1.00 0.00 C ATOM 551 O ALA A 35 17.023 21.240 -11.903 1.00 0.00 O ATOM 552 CB ALA A 35 19.849 20.700 -10.195 1.00 0.00 C ATOM 0 H ALA A 35 19.048 21.801 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 35 18.908 22.486 -10.935 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.983 20.262 -11.184 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.760 21.224 -9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.638 19.910 -9.474 1.00 0.00 H new ATOM 558 N MET A 36 16.652 20.313 -9.898 1.00 0.00 N ATOM 559 CA MET A 36 15.328 19.768 -10.248 1.00 0.00 C ATOM 560 C MET A 36 14.323 20.886 -10.562 1.00 0.00 C ATOM 561 O MET A 36 13.625 20.806 -11.570 1.00 0.00 O ATOM 562 CB MET A 36 14.822 18.868 -9.104 1.00 0.00 C ATOM 563 CG MET A 36 15.600 17.551 -8.984 1.00 0.00 C ATOM 564 SD MET A 36 15.250 16.301 -10.253 1.00 0.00 S ATOM 565 CE MET A 36 13.585 15.777 -9.773 1.00 0.00 C ATOM 0 H MET A 36 16.953 20.085 -8.951 1.00 0.00 H new ATOM 0 HA MET A 36 15.427 19.168 -11.153 1.00 0.00 H new ATOM 0 HB2 MET A 36 14.894 19.413 -8.163 1.00 0.00 H new ATOM 0 HB3 MET A 36 13.767 18.646 -9.264 1.00 0.00 H new ATOM 0 HG2 MET A 36 16.666 17.778 -9.010 1.00 0.00 H new ATOM 0 HG3 MET A 36 15.391 17.116 -8.007 1.00 0.00 H new ATOM 0 HE1 MET A 36 13.310 14.882 -10.332 1.00 0.00 H new ATOM 0 HE2 MET A 36 13.566 15.558 -8.705 1.00 0.00 H new ATOM 0 HE3 MET A 36 12.875 16.574 -9.993 1.00 0.00 H new ATOM 575 N GLU A 37 14.289 21.966 -9.778 1.00 0.00 N ATOM 576 CA GLU A 37 13.425 23.129 -10.045 1.00 0.00 C ATOM 577 C GLU A 37 13.816 23.852 -11.354 1.00 0.00 C ATOM 578 O GLU A 37 12.950 24.188 -12.163 1.00 0.00 O ATOM 579 CB GLU A 37 13.476 24.068 -8.828 1.00 0.00 C ATOM 580 CG GLU A 37 12.506 25.248 -8.950 1.00 0.00 C ATOM 581 CD GLU A 37 12.505 26.099 -7.666 1.00 0.00 C ATOM 582 OE1 GLU A 37 13.387 26.981 -7.516 1.00 0.00 O ATOM 583 OE2 GLU A 37 11.611 25.905 -6.804 1.00 0.00 O ATOM 0 H GLU A 37 14.859 22.063 -8.938 1.00 0.00 H new ATOM 0 HA GLU A 37 12.400 22.790 -10.193 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.241 23.501 -7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.491 24.448 -8.710 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.788 25.868 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.500 24.877 -9.145 1.00 0.00 H new ATOM 590 N SER A 38 15.121 24.029 -11.596 1.00 0.00 N ATOM 591 CA SER A 38 15.659 24.687 -12.799 1.00 0.00 C ATOM 592 C SER A 38 15.419 23.883 -14.089 1.00 0.00 C ATOM 593 O SER A 38 15.204 24.465 -15.154 1.00 0.00 O ATOM 594 CB SER A 38 17.160 24.931 -12.586 1.00 0.00 C ATOM 595 OG SER A 38 17.731 25.670 -13.659 1.00 0.00 O ATOM 0 H SER A 38 15.847 23.715 -10.952 1.00 0.00 H new ATOM 0 HA SER A 38 15.128 25.629 -12.935 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.312 25.471 -11.651 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.674 23.975 -12.489 1.00 0.00 H new ATOM 0 HG SER A 38 18.245 26.424 -13.300 1.00 0.00 H new ATOM 601 N THR A 39 15.411 22.545 -13.997 1.00 0.00 N ATOM 602 CA THR A 39 15.242 21.630 -15.154 1.00 0.00 C ATOM 603 C THR A 39 13.808 21.113 -15.340 1.00 0.00 C ATOM 604 O THR A 39 13.546 20.318 -16.246 1.00 0.00 O ATOM 605 CB THR A 39 16.247 20.469 -15.112 1.00 0.00 C ATOM 606 OG1 THR A 39 16.087 19.716 -13.937 1.00 0.00 O ATOM 607 CG2 THR A 39 17.691 20.968 -15.157 1.00 0.00 C ATOM 0 H THR A 39 15.522 22.054 -13.110 1.00 0.00 H new ATOM 0 HA THR A 39 15.454 22.240 -16.032 1.00 0.00 H new ATOM 0 HB THR A 39 16.048 19.854 -15.990 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.459 20.211 -13.178 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.371 20.117 -15.125 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.854 21.529 -16.078 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.879 21.615 -14.300 1.00 0.00 H new ATOM 615 N GLY A 40 12.856 21.566 -14.513 1.00 0.00 N ATOM 616 CA GLY A 40 11.429 21.234 -14.658 1.00 0.00 C ATOM 617 C GLY A 40 11.042 19.858 -14.103 1.00 0.00 C ATOM 618 O GLY A 40 10.029 19.284 -14.507 1.00 0.00 O ATOM 0 H GLY A 40 13.054 22.176 -13.720 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.837 21.997 -14.152 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.164 21.274 -15.715 1.00 0.00 H new ATOM 622 N GLY A 41 11.858 19.311 -13.194 1.00 0.00 N ATOM 623 CA GLY A 41 11.587 18.056 -12.483 1.00 0.00 C ATOM 624 C GLY A 41 12.088 16.778 -13.158 1.00 0.00 C ATOM 625 O GLY A 41 11.962 15.711 -12.568 1.00 0.00 O ATOM 0 H GLY A 41 12.745 19.738 -12.926 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.036 18.119 -11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.510 17.969 -12.340 1.00 0.00 H new ATOM 629 N ARG A 42 12.679 16.854 -14.360 1.00 0.00 N ATOM 630 CA ARG A 42 13.245 15.683 -15.059 1.00 0.00 C ATOM 631 C ARG A 42 14.576 15.280 -14.431 1.00 0.00 C ATOM 632 O ARG A 42 15.588 15.941 -14.651 1.00 0.00 O ATOM 633 CB ARG A 42 13.412 16.005 -16.560 1.00 0.00 C ATOM 634 CG ARG A 42 12.157 15.726 -17.402 1.00 0.00 C ATOM 635 CD ARG A 42 11.969 14.218 -17.639 1.00 0.00 C ATOM 636 NE ARG A 42 10.818 13.963 -18.530 1.00 0.00 N ATOM 637 CZ ARG A 42 10.271 12.792 -18.815 1.00 0.00 C ATOM 638 NH1 ARG A 42 10.702 11.675 -18.298 1.00 0.00 N ATOM 639 NH2 ARG A 42 9.269 12.723 -19.641 1.00 0.00 N ATOM 0 H ARG A 42 12.780 17.727 -14.877 1.00 0.00 H new ATOM 0 HA ARG A 42 12.562 14.839 -14.959 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.683 17.055 -16.668 1.00 0.00 H new ATOM 0 HB3 ARG A 42 14.241 15.419 -16.957 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.280 16.129 -16.896 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.237 16.240 -18.360 1.00 0.00 H new ATOM 0 HD2 ARG A 42 12.874 13.799 -18.079 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.815 13.713 -16.686 1.00 0.00 H new ATOM 0 HE ARG A 42 10.399 14.780 -18.974 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.488 11.684 -17.648 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.253 10.793 -18.543 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.903 13.573 -20.071 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.849 11.819 -19.859 1.00 0.00 H new ATOM 653 N VAL A 43 14.611 14.154 -13.717 1.00 0.00 N ATOM 654 CA VAL A 43 15.791 13.754 -12.921 1.00 0.00 C ATOM 655 C VAL A 43 17.044 13.553 -13.781 1.00 0.00 C ATOM 656 O VAL A 43 18.120 13.991 -13.389 1.00 0.00 O ATOM 657 CB VAL A 43 15.464 12.555 -12.006 1.00 0.00 C ATOM 658 CG1 VAL A 43 15.321 11.227 -12.757 1.00 0.00 C ATOM 659 CG2 VAL A 43 16.514 12.388 -10.906 1.00 0.00 C ATOM 0 H VAL A 43 13.835 13.494 -13.668 1.00 0.00 H new ATOM 0 HA VAL A 43 16.042 14.585 -12.261 1.00 0.00 H new ATOM 0 HB VAL A 43 14.495 12.794 -11.568 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.091 10.431 -12.048 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.515 11.307 -13.487 1.00 0.00 H new ATOM 0 HG13 VAL A 43 16.254 10.997 -13.271 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.253 11.535 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.491 12.220 -11.358 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.547 13.290 -10.295 1.00 0.00 H new ATOM 669 N ARG A 44 16.912 13.027 -15.010 1.00 0.00 N ATOM 670 CA ARG A 44 18.042 12.883 -15.956 1.00 0.00 C ATOM 671 C ARG A 44 18.673 14.225 -16.358 1.00 0.00 C ATOM 672 O ARG A 44 19.895 14.366 -16.376 1.00 0.00 O ATOM 673 CB ARG A 44 17.621 12.005 -17.157 1.00 0.00 C ATOM 674 CG ARG A 44 16.558 12.611 -18.100 1.00 0.00 C ATOM 675 CD ARG A 44 16.087 11.609 -19.165 1.00 0.00 C ATOM 676 NE ARG A 44 17.162 11.255 -20.120 1.00 0.00 N ATOM 677 CZ ARG A 44 17.126 10.296 -21.034 1.00 0.00 C ATOM 678 NH1 ARG A 44 16.083 9.531 -21.196 1.00 0.00 N ATOM 679 NH2 ARG A 44 18.147 10.089 -21.815 1.00 0.00 N ATOM 0 H ARG A 44 16.023 12.689 -15.379 1.00 0.00 H new ATOM 0 HA ARG A 44 18.849 12.363 -15.440 1.00 0.00 H new ATOM 0 HB2 ARG A 44 18.511 11.777 -17.744 1.00 0.00 H new ATOM 0 HB3 ARG A 44 17.240 11.058 -16.774 1.00 0.00 H new ATOM 0 HG2 ARG A 44 15.702 12.944 -17.513 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.970 13.493 -18.591 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.727 10.704 -18.675 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.244 12.032 -19.711 1.00 0.00 H new ATOM 0 HE ARG A 44 18.019 11.806 -20.069 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.259 9.661 -20.609 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.091 8.803 -21.910 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.983 10.667 -21.726 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.111 9.349 -22.516 1.00 0.00 H new ATOM 693 N ILE A 45 17.835 15.243 -16.579 1.00 0.00 N ATOM 694 CA ILE A 45 18.278 16.601 -16.952 1.00 0.00 C ATOM 695 C ILE A 45 18.860 17.317 -15.722 1.00 0.00 C ATOM 696 O ILE A 45 19.858 18.023 -15.831 1.00 0.00 O ATOM 697 CB ILE A 45 17.132 17.399 -17.628 1.00 0.00 C ATOM 698 CG1 ILE A 45 16.481 16.597 -18.784 1.00 0.00 C ATOM 699 CG2 ILE A 45 17.678 18.729 -18.181 1.00 0.00 C ATOM 700 CD1 ILE A 45 15.335 17.316 -19.511 1.00 0.00 C ATOM 0 H ILE A 45 16.822 15.153 -16.505 1.00 0.00 H new ATOM 0 HA ILE A 45 19.073 16.529 -17.695 1.00 0.00 H new ATOM 0 HB ILE A 45 16.371 17.589 -16.871 1.00 0.00 H new ATOM 0 HG12 ILE A 45 17.253 16.348 -19.512 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.103 15.656 -18.385 1.00 0.00 H new ATOM 0 HG21 ILE A 45 16.869 19.285 -18.655 1.00 0.00 H new ATOM 0 HG22 ILE A 45 18.095 19.319 -17.365 1.00 0.00 H new ATOM 0 HG23 ILE A 45 18.457 18.525 -18.916 1.00 0.00 H new ATOM 0 HD11 ILE A 45 14.946 16.674 -20.301 1.00 0.00 H new ATOM 0 HD12 ILE A 45 14.539 17.541 -18.802 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.706 18.244 -19.947 1.00 0.00 H new ATOM 712 N ALA A 46 18.304 17.075 -14.534 1.00 0.00 N ATOM 713 CA ALA A 46 18.826 17.615 -13.273 1.00 0.00 C ATOM 714 C ALA A 46 20.229 17.077 -12.952 1.00 0.00 C ATOM 715 O ALA A 46 21.141 17.862 -12.691 1.00 0.00 O ATOM 716 CB ALA A 46 17.830 17.312 -12.149 1.00 0.00 C ATOM 0 H ALA A 46 17.473 16.495 -14.417 1.00 0.00 H new ATOM 0 HA ALA A 46 18.935 18.695 -13.371 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.211 17.710 -11.208 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.871 17.776 -12.378 1.00 0.00 H new ATOM 0 HB3 ALA A 46 17.699 16.234 -12.060 1.00 0.00 H new ATOM 722 N ILE A 47 20.453 15.758 -13.046 1.00 0.00 N ATOM 723 CA ILE A 47 21.793 15.186 -12.831 1.00 0.00 C ATOM 724 C ILE A 47 22.764 15.602 -13.946 1.00 0.00 C ATOM 725 O ILE A 47 23.909 15.922 -13.642 1.00 0.00 O ATOM 726 CB ILE A 47 21.769 13.664 -12.547 1.00 0.00 C ATOM 727 CG1 ILE A 47 21.384 12.819 -13.776 1.00 0.00 C ATOM 728 CG2 ILE A 47 20.850 13.389 -11.340 1.00 0.00 C ATOM 729 CD1 ILE A 47 21.373 11.307 -13.529 1.00 0.00 C ATOM 0 H ILE A 47 19.732 15.072 -13.267 1.00 0.00 H new ATOM 0 HA ILE A 47 22.185 15.619 -11.911 1.00 0.00 H new ATOM 0 HB ILE A 47 22.785 13.351 -12.304 1.00 0.00 H new ATOM 0 HG12 ILE A 47 20.395 13.126 -14.117 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.082 13.037 -14.584 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.829 12.319 -11.135 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.229 13.918 -10.466 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.841 13.735 -11.564 1.00 0.00 H new ATOM 0 HD11 ILE A 47 21.092 10.790 -14.447 1.00 0.00 H new ATOM 0 HD12 ILE A 47 22.366 10.982 -13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.653 11.072 -12.745 1.00 0.00 H new ATOM 741 N ALA A 48 22.307 15.734 -15.200 1.00 0.00 N ATOM 742 CA ALA A 48 23.112 16.331 -16.273 1.00 0.00 C ATOM 743 C ALA A 48 23.540 17.783 -15.965 1.00 0.00 C ATOM 744 O ALA A 48 24.717 18.121 -16.116 1.00 0.00 O ATOM 745 CB ALA A 48 22.301 16.253 -17.570 1.00 0.00 C ATOM 0 H ALA A 48 21.378 15.433 -15.496 1.00 0.00 H new ATOM 0 HA ALA A 48 24.042 15.771 -16.370 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.876 16.691 -18.386 1.00 0.00 H new ATOM 0 HB2 ALA A 48 22.081 15.210 -17.799 1.00 0.00 H new ATOM 0 HB3 ALA A 48 21.367 16.803 -17.449 1.00 0.00 H new ATOM 751 N LYS A 49 22.636 18.619 -15.431 1.00 0.00 N ATOM 752 CA LYS A 49 22.942 20.000 -15.014 1.00 0.00 C ATOM 753 C LYS A 49 23.911 20.060 -13.824 1.00 0.00 C ATOM 754 O LYS A 49 24.784 20.924 -13.797 1.00 0.00 O ATOM 755 CB LYS A 49 21.623 20.752 -14.766 1.00 0.00 C ATOM 756 CG LYS A 49 21.903 22.259 -14.730 1.00 0.00 C ATOM 757 CD LYS A 49 20.642 23.112 -14.904 1.00 0.00 C ATOM 758 CE LYS A 49 21.113 24.545 -15.169 1.00 0.00 C ATOM 759 NZ LYS A 49 19.982 25.472 -15.470 1.00 0.00 N ATOM 0 H LYS A 49 21.663 18.355 -15.274 1.00 0.00 H new ATOM 0 HA LYS A 49 23.477 20.504 -15.819 1.00 0.00 H new ATOM 0 HB2 LYS A 49 20.905 20.522 -15.553 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.178 20.430 -13.825 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.376 22.511 -13.781 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.614 22.509 -15.517 1.00 0.00 H new ATOM 0 HD2 LYS A 49 20.037 22.744 -15.733 1.00 0.00 H new ATOM 0 HD3 LYS A 49 20.019 23.068 -14.011 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.657 24.912 -14.299 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.812 24.546 -16.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.343 26.443 -15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.529 25.189 -16.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.285 25.431 -14.699 1.00 0.00 H new ATOM 773 N LEU A 50 23.821 19.116 -12.883 1.00 0.00 N ATOM 774 CA LEU A 50 24.764 19.020 -11.754 1.00 0.00 C ATOM 775 C LEU A 50 26.161 18.510 -12.174 1.00 0.00 C ATOM 776 O LEU A 50 27.167 18.973 -11.632 1.00 0.00 O ATOM 777 CB LEU A 50 24.167 18.108 -10.668 1.00 0.00 C ATOM 778 CG LEU A 50 22.917 18.669 -9.963 1.00 0.00 C ATOM 779 CD1 LEU A 50 22.258 17.572 -9.132 1.00 0.00 C ATOM 780 CD2 LEU A 50 23.240 19.847 -9.043 1.00 0.00 C ATOM 0 H LEU A 50 23.097 18.397 -12.878 1.00 0.00 H new ATOM 0 HA LEU A 50 24.909 20.027 -11.364 1.00 0.00 H new ATOM 0 HB2 LEU A 50 23.912 17.149 -11.120 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.933 17.913 -9.917 1.00 0.00 H new ATOM 0 HG LEU A 50 22.246 19.024 -10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.375 17.973 -8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 50 21.966 16.748 -9.783 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.962 17.210 -8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.324 20.203 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.942 19.526 -8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.685 20.653 -9.627 1.00 0.00 H new ATOM 792 N LEU A 51 26.231 17.574 -13.129 1.00 0.00 N ATOM 793 CA LEU A 51 27.488 16.938 -13.561 1.00 0.00 C ATOM 794 C LEU A 51 28.245 17.741 -14.638 1.00 0.00 C ATOM 795 O LEU A 51 29.460 17.913 -14.532 1.00 0.00 O ATOM 796 CB LEU A 51 27.176 15.520 -14.078 1.00 0.00 C ATOM 797 CG LEU A 51 26.757 14.522 -12.982 1.00 0.00 C ATOM 798 CD1 LEU A 51 26.139 13.276 -13.617 1.00 0.00 C ATOM 799 CD2 LEU A 51 27.950 14.078 -12.133 1.00 0.00 C ATOM 0 H LEU A 51 25.411 17.232 -13.630 1.00 0.00 H new ATOM 0 HA LEU A 51 28.148 16.900 -12.695 1.00 0.00 H new ATOM 0 HB2 LEU A 51 26.379 15.584 -14.819 1.00 0.00 H new ATOM 0 HB3 LEU A 51 28.056 15.131 -14.590 1.00 0.00 H new ATOM 0 HG LEU A 51 26.035 15.032 -12.344 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.846 12.576 -12.834 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.261 13.561 -14.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.869 12.802 -14.273 1.00 0.00 H new ATOM 0 HD21 LEU A 51 27.613 13.375 -11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 51 28.691 13.595 -12.771 1.00 0.00 H new ATOM 0 HD23 LEU A 51 28.397 14.947 -11.651 1.00 0.00 H new ATOM 1252 N SER A 85 10.712 10.597 -12.209 1.00 0.00 N ATOM 1253 CA SER A 85 11.070 12.023 -12.140 1.00 0.00 C ATOM 1254 C SER A 85 10.159 12.801 -11.180 1.00 0.00 C ATOM 1255 O SER A 85 10.655 13.486 -10.286 1.00 0.00 O ATOM 1256 CB SER A 85 11.036 12.658 -13.535 1.00 0.00 C ATOM 1257 OG SER A 85 12.253 12.390 -14.221 1.00 0.00 O ATOM 0 HA SER A 85 12.086 12.080 -11.748 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.194 12.263 -14.103 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.886 13.734 -13.450 1.00 0.00 H new ATOM 0 HG SER A 85 12.061 12.188 -15.161 1.00 0.00 H new ATOM 1263 N GLN A 86 8.828 12.654 -11.286 1.00 0.00 N ATOM 1264 CA GLN A 86 7.895 13.337 -10.373 1.00 0.00 C ATOM 1265 C GLN A 86 7.913 12.754 -8.948 1.00 0.00 C ATOM 1266 O GLN A 86 7.789 13.509 -7.985 1.00 0.00 O ATOM 1267 CB GLN A 86 6.482 13.481 -10.973 1.00 0.00 C ATOM 1268 CG GLN A 86 5.683 12.186 -11.205 1.00 0.00 C ATOM 1269 CD GLN A 86 4.242 12.451 -11.651 1.00 0.00 C ATOM 1270 OE1 GLN A 86 3.828 13.562 -11.963 1.00 0.00 O ATOM 1271 NE2 GLN A 86 3.407 11.438 -11.710 1.00 0.00 N ATOM 0 H GLN A 86 8.375 12.072 -11.991 1.00 0.00 H new ATOM 0 HA GLN A 86 8.264 14.356 -10.260 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.899 14.125 -10.314 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.571 13.999 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.187 11.583 -11.960 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.672 11.601 -10.285 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.722 10.502 -11.457 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.444 11.588 -12.009 1.00 0.00 H new ATOM 1280 N GLN A 87 8.153 11.444 -8.784 1.00 0.00 N ATOM 1281 CA GLN A 87 8.322 10.823 -7.460 1.00 0.00 C ATOM 1282 C GLN A 87 9.575 11.361 -6.739 1.00 0.00 C ATOM 1283 O GLN A 87 9.492 11.779 -5.583 1.00 0.00 O ATOM 1284 CB GLN A 87 8.363 9.291 -7.624 1.00 0.00 C ATOM 1285 CG GLN A 87 8.310 8.550 -6.275 1.00 0.00 C ATOM 1286 CD GLN A 87 8.424 7.036 -6.453 1.00 0.00 C ATOM 1287 OE1 GLN A 87 9.478 6.442 -6.266 1.00 0.00 O ATOM 1288 NE2 GLN A 87 7.361 6.357 -6.825 1.00 0.00 N ATOM 0 H GLN A 87 8.235 10.788 -9.561 1.00 0.00 H new ATOM 0 HA GLN A 87 7.473 11.085 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.524 8.973 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.274 9.010 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.119 8.902 -5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.375 8.787 -5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.477 6.840 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 87 7.421 5.347 -6.955 1.00 0.00 H new ATOM 1297 N ILE A 88 10.714 11.419 -7.444 1.00 0.00 N ATOM 1298 CA ILE A 88 11.963 12.006 -6.926 1.00 0.00 C ATOM 1299 C ILE A 88 11.763 13.495 -6.629 1.00 0.00 C ATOM 1300 O ILE A 88 12.135 13.937 -5.549 1.00 0.00 O ATOM 1301 CB ILE A 88 13.144 11.742 -7.896 1.00 0.00 C ATOM 1302 CG1 ILE A 88 13.525 10.241 -7.974 1.00 0.00 C ATOM 1303 CG2 ILE A 88 14.394 12.567 -7.529 1.00 0.00 C ATOM 1304 CD1 ILE A 88 14.289 9.679 -6.769 1.00 0.00 C ATOM 0 H ILE A 88 10.797 11.059 -8.395 1.00 0.00 H new ATOM 0 HA ILE A 88 12.223 11.521 -5.985 1.00 0.00 H new ATOM 0 HB ILE A 88 12.788 12.059 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.611 9.661 -8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 88 14.130 10.086 -8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.194 12.349 -8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 88 14.154 13.629 -7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.719 12.307 -6.522 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.502 8.623 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.225 10.223 -6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.683 9.791 -5.870 1.00 0.00 H new ATOM 1316 N LEU A 89 11.112 14.260 -7.515 1.00 0.00 N ATOM 1317 CA LEU A 89 10.816 15.679 -7.276 1.00 0.00 C ATOM 1318 C LEU A 89 9.987 15.891 -6.008 1.00 0.00 C ATOM 1319 O LEU A 89 10.391 16.661 -5.146 1.00 0.00 O ATOM 1320 CB LEU A 89 10.091 16.265 -8.509 1.00 0.00 C ATOM 1321 CG LEU A 89 9.656 17.739 -8.373 1.00 0.00 C ATOM 1322 CD1 LEU A 89 10.847 18.693 -8.289 1.00 0.00 C ATOM 1323 CD2 LEU A 89 8.792 18.149 -9.559 1.00 0.00 C ATOM 0 H LEU A 89 10.777 13.915 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 89 11.760 16.202 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.748 16.175 -9.374 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.208 15.659 -8.714 1.00 0.00 H new ATOM 0 HG LEU A 89 9.090 17.810 -7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 89 10.487 19.717 -8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.455 18.440 -7.420 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.450 18.603 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.493 19.191 -9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.360 18.030 -10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.903 17.519 -9.597 1.00 0.00 H new ATOM 1335 N ASN A 90 8.846 15.219 -5.869 1.00 0.00 N ATOM 1336 CA ASN A 90 7.949 15.457 -4.736 1.00 0.00 C ATOM 1337 C ASN A 90 8.572 14.987 -3.415 1.00 0.00 C ATOM 1338 O ASN A 90 8.556 15.746 -2.443 1.00 0.00 O ATOM 1339 CB ASN A 90 6.567 14.853 -5.047 1.00 0.00 C ATOM 1340 CG ASN A 90 5.801 15.653 -6.098 1.00 0.00 C ATOM 1341 OD1 ASN A 90 6.139 16.782 -6.439 1.00 0.00 O ATOM 1342 ND2 ASN A 90 4.728 15.107 -6.623 1.00 0.00 N ATOM 0 H ASN A 90 8.520 14.508 -6.523 1.00 0.00 H new ATOM 0 HA ASN A 90 7.799 16.527 -4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.692 13.828 -5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.979 14.808 -4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.179 15.621 -7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.444 14.169 -6.342 1.00 0.00 H new ATOM 1349 N ARG A 91 9.259 13.833 -3.394 1.00 0.00 N ATOM 1350 CA ARG A 91 10.005 13.408 -2.198 1.00 0.00 C ATOM 1351 C ARG A 91 11.171 14.348 -1.877 1.00 0.00 C ATOM 1352 O ARG A 91 11.403 14.623 -0.705 1.00 0.00 O ATOM 1353 CB ARG A 91 10.430 11.933 -2.338 1.00 0.00 C ATOM 1354 CG ARG A 91 10.879 11.303 -1.006 1.00 0.00 C ATOM 1355 CD ARG A 91 9.746 11.092 0.015 1.00 0.00 C ATOM 1356 NE ARG A 91 8.860 9.974 -0.377 1.00 0.00 N ATOM 1357 CZ ARG A 91 7.639 10.030 -0.888 1.00 0.00 C ATOM 1358 NH1 ARG A 91 6.986 11.140 -1.054 1.00 0.00 N ATOM 1359 NH2 ARG A 91 7.035 8.934 -1.251 1.00 0.00 N ATOM 0 H ARG A 91 9.314 13.185 -4.180 1.00 0.00 H new ATOM 0 HA ARG A 91 9.344 13.476 -1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 91 9.597 11.358 -2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.245 11.863 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.348 10.341 -1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.642 11.939 -0.557 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.174 10.891 0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.160 12.007 0.104 1.00 0.00 H new ATOM 0 HE ARG A 91 9.239 9.038 -0.235 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.412 12.027 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.047 11.125 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.502 8.034 -1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.095 8.976 -1.645 1.00 0.00 H new ATOM 1373 N LEU A 92 11.853 14.914 -2.877 1.00 0.00 N ATOM 1374 CA LEU A 92 12.921 15.902 -2.655 1.00 0.00 C ATOM 1375 C LEU A 92 12.371 17.257 -2.159 1.00 0.00 C ATOM 1376 O LEU A 92 12.982 17.870 -1.290 1.00 0.00 O ATOM 1377 CB LEU A 92 13.762 16.024 -3.941 1.00 0.00 C ATOM 1378 CG LEU A 92 15.067 16.826 -3.807 1.00 0.00 C ATOM 1379 CD1 LEU A 92 16.101 16.130 -2.916 1.00 0.00 C ATOM 1380 CD2 LEU A 92 15.682 16.975 -5.194 1.00 0.00 C ATOM 0 H LEU A 92 11.684 14.704 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 92 13.571 15.556 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.007 15.021 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.148 16.489 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 92 14.816 17.785 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 92 17.001 16.741 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.688 15.996 -1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.350 15.157 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.610 17.542 -5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.891 15.988 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.985 17.502 -5.846 1.00 0.00 H new ATOM 1392 N ARG A 93 11.194 17.689 -2.638 1.00 0.00 N ATOM 1393 CA ARG A 93 10.494 18.898 -2.150 1.00 0.00 C ATOM 1394 C ARG A 93 10.106 18.754 -0.678 1.00 0.00 C ATOM 1395 O ARG A 93 10.400 19.640 0.116 1.00 0.00 O ATOM 1396 CB ARG A 93 9.250 19.188 -3.013 1.00 0.00 C ATOM 1397 CG ARG A 93 9.588 19.750 -4.406 1.00 0.00 C ATOM 1398 CD ARG A 93 8.364 19.736 -5.336 1.00 0.00 C ATOM 1399 NE ARG A 93 7.286 20.624 -4.853 1.00 0.00 N ATOM 1400 CZ ARG A 93 5.980 20.492 -5.030 1.00 0.00 C ATOM 1401 NH1 ARG A 93 5.442 19.471 -5.637 1.00 0.00 N ATOM 1402 NH2 ARG A 93 5.168 21.410 -4.588 1.00 0.00 N ATOM 0 H ARG A 93 10.692 17.207 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 93 11.179 19.741 -2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.676 18.269 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.611 19.898 -2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.958 20.770 -4.307 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.390 19.162 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.666 20.045 -6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 93 7.984 18.718 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 93 7.584 21.439 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.034 18.725 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 93 4.429 19.419 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.538 22.229 -4.106 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.162 21.309 -4.724 1.00 0.00 H new ATOM 1416 N GLU A 94 9.543 17.610 -0.290 1.00 0.00 N ATOM 1417 CA GLU A 94 9.244 17.320 1.124 1.00 0.00 C ATOM 1418 C GLU A 94 10.525 17.302 1.979 1.00 0.00 C ATOM 1419 O GLU A 94 10.618 18.005 2.986 1.00 0.00 O ATOM 1420 CB GLU A 94 8.525 15.966 1.241 1.00 0.00 C ATOM 1421 CG GLU A 94 7.135 15.973 0.598 1.00 0.00 C ATOM 1422 CD GLU A 94 6.500 14.569 0.620 1.00 0.00 C ATOM 1423 OE1 GLU A 94 7.140 13.599 0.145 1.00 0.00 O ATOM 1424 OE2 GLU A 94 5.344 14.425 1.094 1.00 0.00 O ATOM 0 H GLU A 94 9.282 16.863 -0.933 1.00 0.00 H new ATOM 0 HA GLU A 94 8.597 18.114 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.134 15.195 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.432 15.699 2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.490 16.674 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.210 16.324 -0.431 1.00 0.00 H new ATOM 1431 N ARG A 95 11.539 16.549 1.530 1.00 0.00 N ATOM 1432 CA ARG A 95 12.821 16.356 2.231 1.00 0.00 C ATOM 1433 C ARG A 95 13.601 17.659 2.467 1.00 0.00 C ATOM 1434 O ARG A 95 14.173 17.836 3.541 1.00 0.00 O ATOM 1435 CB ARG A 95 13.627 15.357 1.389 1.00 0.00 C ATOM 1436 CG ARG A 95 14.984 14.930 1.960 1.00 0.00 C ATOM 1437 CD ARG A 95 15.646 13.992 0.943 1.00 0.00 C ATOM 1438 NE ARG A 95 16.927 13.472 1.438 1.00 0.00 N ATOM 1439 CZ ARG A 95 17.223 12.251 1.834 1.00 0.00 C ATOM 1440 NH1 ARG A 95 16.335 11.301 1.911 1.00 0.00 N ATOM 1441 NH2 ARG A 95 18.452 11.997 2.152 1.00 0.00 N ATOM 0 H ARG A 95 11.491 16.043 0.646 1.00 0.00 H new ATOM 0 HA ARG A 95 12.633 15.977 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.020 14.463 1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.792 15.794 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.613 15.801 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.854 14.425 2.917 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.976 13.161 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.807 14.526 0.007 1.00 0.00 H new ATOM 0 HE ARG A 95 17.690 14.147 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.365 11.488 1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 95 16.610 10.370 2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.157 12.732 2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 95 18.716 11.062 2.463 1.00 0.00 H new ATOM 1455 N VAL A 96 13.628 18.554 1.475 1.00 0.00 N ATOM 1456 CA VAL A 96 14.453 19.782 1.502 1.00 0.00 C ATOM 1457 C VAL A 96 13.658 21.013 1.961 1.00 0.00 C ATOM 1458 O VAL A 96 14.215 21.860 2.664 1.00 0.00 O ATOM 1459 CB VAL A 96 15.121 20.013 0.128 1.00 0.00 C ATOM 1460 CG1 VAL A 96 16.009 21.261 0.088 1.00 0.00 C ATOM 1461 CG2 VAL A 96 16.024 18.820 -0.225 1.00 0.00 C ATOM 0 H VAL A 96 13.077 18.453 0.622 1.00 0.00 H new ATOM 0 HA VAL A 96 15.237 19.634 2.244 1.00 0.00 H new ATOM 0 HB VAL A 96 14.301 20.137 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 96 16.447 21.364 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 96 15.408 22.142 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 96 16.804 21.166 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.491 18.991 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.797 18.711 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.425 17.910 -0.266 1.00 0.00 H new ATOM 1471 N SER A 97 12.366 21.107 1.622 1.00 0.00 N ATOM 1472 CA SER A 97 11.522 22.295 1.862 1.00 0.00 C ATOM 1473 C SER A 97 10.339 22.053 2.825 1.00 0.00 C ATOM 1474 O SER A 97 9.608 23.000 3.133 1.00 0.00 O ATOM 1475 CB SER A 97 11.023 22.872 0.528 1.00 0.00 C ATOM 1476 OG SER A 97 12.108 23.140 -0.358 1.00 0.00 O ATOM 0 H SER A 97 11.864 20.347 1.164 1.00 0.00 H new ATOM 0 HA SER A 97 12.164 23.019 2.365 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.334 22.169 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.466 23.790 0.712 1.00 0.00 H new ATOM 0 HG SER A 97 11.761 23.504 -1.199 1.00 0.00 H new