USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 399 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 41 THR OG1 : rot 110:sc= -1.01 USER MOD Set 1.2: A 45 SER OG : rot 36:sc= -0.566 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= -0.751 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.0117 X(o=-0.76,f=-0.75) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc=-0.00684 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.66 K(o=-0.66,f=-6!) USER MOD Single : A 20 THR OG1 : rot 70:sc= 0.768 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.00083) USER MOD Single : A 29 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=-0.0074) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.956 K(o=-0.96,f=-5.2!) USER MOD Single : A 39 SER OG : rot 84:sc= 1.24 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.37 K(o=-1.4,f=-6.5!) USER MOD Single : A 46 ASN : amide:sc= 0.487 K(o=0.49,f=-3.9!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.216 USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.228 (180deg=-0.973) USER MOD Single : A 52 ASN : amide:sc= 0.0533 X(o=0.053,f=-0.0083) USER MOD Single : A 58 LYS NZ :NH3+ -167:sc=-0.000445 (180deg=-0.184) USER MOD Single : A 63 ASN :FLIP amide:sc= 0.432 F(o=-1.3,f=0.43) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N CYS A 13 24.375 10.061 -5.818 1.00 0.00 N ATOM 211 CA CYS A 13 24.145 9.531 -7.158 1.00 0.00 C ATOM 212 C CYS A 13 25.305 8.639 -7.593 1.00 0.00 C ATOM 213 O CYS A 13 26.071 8.991 -8.490 1.00 0.00 O ATOM 214 CB CYS A 13 23.978 10.682 -8.154 1.00 0.00 C ATOM 215 SG CYS A 13 22.224 11.101 -8.303 1.00 0.00 S ATOM 0 HA CYS A 13 23.234 8.933 -7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 13 24.543 11.552 -7.819 1.00 0.00 H new ATOM 0 HB3 CYS A 13 24.379 10.396 -9.127 1.00 0.00 H new ATOM 220 N ASN A 14 25.431 7.483 -6.949 1.00 0.00 N ATOM 221 CA ASN A 14 26.503 6.550 -7.277 1.00 0.00 C ATOM 222 C ASN A 14 25.941 5.273 -7.895 1.00 0.00 C ATOM 223 O ASN A 14 26.575 4.220 -7.846 1.00 0.00 O ATOM 224 CB ASN A 14 27.298 6.202 -6.017 1.00 0.00 C ATOM 225 CG ASN A 14 26.373 5.604 -4.962 1.00 0.00 C ATOM 226 OD1 ASN A 14 25.218 5.292 -5.252 1.00 0.00 O ATOM 227 ND2 ASN A 14 26.814 5.427 -3.747 1.00 0.00 N ATOM 0 H ASN A 14 24.809 7.172 -6.203 1.00 0.00 H new ATOM 0 HA ASN A 14 27.161 7.029 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 14 28.090 5.494 -6.261 1.00 0.00 H new ATOM 0 HB3 ASN A 14 27.781 7.097 -5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 14 26.201 5.029 -3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 14 27.771 5.686 -3.509 1.00 0.00 H new ATOM 234 N THR A 15 24.750 5.372 -8.480 1.00 0.00 N ATOM 235 CA THR A 15 24.122 4.215 -9.107 1.00 0.00 C ATOM 236 C THR A 15 23.642 4.565 -10.512 1.00 0.00 C ATOM 237 O THR A 15 23.369 5.727 -10.813 1.00 0.00 O ATOM 238 CB THR A 15 22.940 3.731 -8.260 1.00 0.00 C ATOM 239 OG1 THR A 15 22.329 2.619 -8.899 1.00 0.00 O ATOM 240 CG2 THR A 15 21.917 4.858 -8.104 1.00 0.00 C ATOM 0 H THR A 15 24.206 6.233 -8.532 1.00 0.00 H new ATOM 0 HA THR A 15 24.861 3.417 -9.177 1.00 0.00 H new ATOM 0 HB THR A 15 23.299 3.436 -7.274 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.574 2.306 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.079 4.508 -7.501 1.00 0.00 H new ATOM 0 HG22 THR A 15 22.387 5.710 -7.613 1.00 0.00 H new ATOM 0 HG23 THR A 15 21.555 5.160 -9.087 1.00 0.00 H new ATOM 248 N ALA A 16 23.551 3.554 -11.370 1.00 0.00 N ATOM 249 CA ALA A 16 23.114 3.764 -12.746 1.00 0.00 C ATOM 250 C ALA A 16 21.706 4.353 -12.796 1.00 0.00 C ATOM 251 O ALA A 16 21.305 4.929 -13.807 1.00 0.00 O ATOM 252 CB ALA A 16 23.136 2.436 -13.504 1.00 0.00 C ATOM 0 H ALA A 16 23.773 2.586 -11.139 1.00 0.00 H new ATOM 0 HA ALA A 16 23.800 4.471 -13.214 1.00 0.00 H new ATOM 0 HB1 ALA A 16 22.809 2.598 -14.531 1.00 0.00 H new ATOM 0 HB2 ALA A 16 24.149 2.034 -13.505 1.00 0.00 H new ATOM 0 HB3 ALA A 16 22.466 1.728 -13.017 1.00 0.00 H new ATOM 258 N THR A 17 20.957 4.206 -11.707 1.00 0.00 N ATOM 259 CA THR A 17 19.596 4.729 -11.655 1.00 0.00 C ATOM 260 C THR A 17 19.592 6.250 -11.783 1.00 0.00 C ATOM 261 O THR A 17 18.751 6.821 -12.477 1.00 0.00 O ATOM 262 CB THR A 17 18.931 4.324 -10.337 1.00 0.00 C ATOM 263 OG1 THR A 17 18.873 2.907 -10.254 1.00 0.00 O ATOM 264 CG2 THR A 17 17.515 4.899 -10.280 1.00 0.00 C ATOM 0 H THR A 17 21.265 3.734 -10.857 1.00 0.00 H new ATOM 0 HA THR A 17 19.037 4.308 -12.491 1.00 0.00 H new ATOM 0 HB THR A 17 19.512 4.714 -9.501 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.449 2.646 -9.410 1.00 0.00 H new ATOM 0 HG21 THR A 17 17.042 4.610 -9.341 1.00 0.00 H new ATOM 0 HG22 THR A 17 17.561 5.986 -10.344 1.00 0.00 H new ATOM 0 HG23 THR A 17 16.931 4.511 -11.115 1.00 0.00 H new ATOM 272 N CYS A 18 20.533 6.901 -11.108 1.00 0.00 N ATOM 273 CA CYS A 18 20.621 8.356 -11.155 1.00 0.00 C ATOM 274 C CYS A 18 20.852 8.834 -12.585 1.00 0.00 C ATOM 275 O CYS A 18 20.210 9.777 -13.045 1.00 0.00 O ATOM 276 CB CYS A 18 21.764 8.840 -10.261 1.00 0.00 C ATOM 277 SG CYS A 18 21.772 10.650 -10.220 1.00 0.00 S ATOM 0 H CYS A 18 21.239 6.450 -10.527 1.00 0.00 H new ATOM 0 HA CYS A 18 19.679 8.769 -10.795 1.00 0.00 H new ATOM 0 HB2 CYS A 18 21.645 8.443 -9.253 1.00 0.00 H new ATOM 0 HB3 CYS A 18 22.717 8.470 -10.638 1.00 0.00 H new ATOM 282 N ALA A 19 21.774 8.179 -13.282 1.00 0.00 N ATOM 283 CA ALA A 19 22.081 8.550 -14.659 1.00 0.00 C ATOM 284 C ALA A 19 20.858 8.365 -15.554 1.00 0.00 C ATOM 285 O ALA A 19 20.593 9.185 -16.431 1.00 0.00 O ATOM 286 CB ALA A 19 23.235 7.695 -15.185 1.00 0.00 C ATOM 0 H ALA A 19 22.318 7.395 -12.921 1.00 0.00 H new ATOM 0 HA ALA A 19 22.370 9.601 -14.675 1.00 0.00 H new ATOM 0 HB1 ALA A 19 23.458 7.978 -16.214 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.118 7.854 -14.565 1.00 0.00 H new ATOM 0 HB3 ALA A 19 22.953 6.643 -15.151 1.00 0.00 H new ATOM 292 N THR A 20 20.128 7.274 -15.332 1.00 0.00 N ATOM 293 CA THR A 20 18.940 6.973 -16.129 1.00 0.00 C ATOM 294 C THR A 20 18.054 8.205 -16.298 1.00 0.00 C ATOM 295 O THR A 20 17.540 8.462 -17.386 1.00 0.00 O ATOM 296 CB THR A 20 18.134 5.858 -15.458 1.00 0.00 C ATOM 297 OG1 THR A 20 18.949 4.703 -15.322 1.00 0.00 O ATOM 298 CG2 THR A 20 16.911 5.524 -16.314 1.00 0.00 C ATOM 0 H THR A 20 20.337 6.585 -14.609 1.00 0.00 H new ATOM 0 HA THR A 20 19.273 6.651 -17.116 1.00 0.00 H new ATOM 0 HB THR A 20 17.805 6.189 -14.473 1.00 0.00 H new ATOM 0 HG1 THR A 20 19.644 4.870 -14.651 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.338 4.730 -15.835 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.286 6.411 -16.417 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.237 5.193 -17.300 1.00 0.00 H new ATOM 306 N GLN A 21 17.869 8.960 -15.220 1.00 0.00 N ATOM 307 CA GLN A 21 17.031 10.154 -15.280 1.00 0.00 C ATOM 308 C GLN A 21 17.811 11.341 -15.841 1.00 0.00 C ATOM 309 O GLN A 21 17.227 12.261 -16.415 1.00 0.00 O ATOM 310 CB GLN A 21 16.498 10.493 -13.884 1.00 0.00 C ATOM 311 CG GLN A 21 17.411 11.520 -13.210 1.00 0.00 C ATOM 312 CD GLN A 21 17.090 11.603 -11.721 1.00 0.00 C ATOM 313 OE1 GLN A 21 15.928 11.496 -11.329 1.00 0.00 O ATOM 314 NE2 GLN A 21 18.057 11.788 -10.864 1.00 0.00 N ATOM 0 H GLN A 21 18.281 8.771 -14.306 1.00 0.00 H new ATOM 0 HA GLN A 21 16.193 9.948 -15.945 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.485 10.888 -13.959 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.443 9.589 -13.277 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.455 11.239 -13.351 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.279 12.497 -13.674 1.00 0.00 H new ATOM 0 HE21 GLN A 21 19.019 11.876 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.851 11.844 -9.867 1.00 0.00 H new ATOM 323 N ARG A 22 19.130 11.321 -15.669 1.00 0.00 N ATOM 324 CA ARG A 22 19.969 12.409 -16.162 1.00 0.00 C ATOM 325 C ARG A 22 19.966 12.444 -17.689 1.00 0.00 C ATOM 326 O ARG A 22 19.755 13.495 -18.294 1.00 0.00 O ATOM 327 CB ARG A 22 21.402 12.237 -15.644 1.00 0.00 C ATOM 328 CG ARG A 22 22.321 13.299 -16.262 1.00 0.00 C ATOM 329 CD ARG A 22 21.807 14.697 -15.913 1.00 0.00 C ATOM 330 NE ARG A 22 21.619 14.822 -14.471 1.00 0.00 N ATOM 331 CZ ARG A 22 22.646 15.036 -13.645 1.00 0.00 C ATOM 332 NH1 ARG A 22 23.867 15.142 -14.106 1.00 0.00 N ATOM 333 NH2 ARG A 22 22.429 15.142 -12.362 1.00 0.00 N ATOM 0 H ARG A 22 19.637 10.572 -15.197 1.00 0.00 H new ATOM 0 HA ARG A 22 19.565 13.353 -15.796 1.00 0.00 H new ATOM 0 HB2 ARG A 22 21.416 12.322 -14.557 1.00 0.00 H new ATOM 0 HB3 ARG A 22 21.768 11.241 -15.891 1.00 0.00 H new ATOM 0 HG2 ARG A 22 23.338 13.173 -15.891 1.00 0.00 H new ATOM 0 HG3 ARG A 22 22.358 13.175 -17.344 1.00 0.00 H new ATOM 0 HD2 ARG A 22 22.515 15.449 -16.261 1.00 0.00 H new ATOM 0 HD3 ARG A 22 20.864 14.884 -16.427 1.00 0.00 H new ATOM 0 HE ARG A 22 20.678 14.744 -14.084 1.00 0.00 H new ATOM 0 HH11 ARG A 22 24.043 15.061 -15.107 1.00 0.00 H new ATOM 0 HH12 ARG A 22 24.642 15.306 -13.464 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.480 15.061 -11.997 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.208 15.305 -11.725 1.00 0.00 H new ATOM 347 N LEU A 23 20.206 11.291 -18.304 1.00 0.00 N ATOM 348 CA LEU A 23 20.231 11.211 -19.760 1.00 0.00 C ATOM 349 C LEU A 23 18.853 11.523 -20.336 1.00 0.00 C ATOM 350 O LEU A 23 18.741 12.085 -21.426 1.00 0.00 O ATOM 351 CB LEU A 23 20.689 9.820 -20.214 1.00 0.00 C ATOM 352 CG LEU A 23 19.689 8.760 -19.750 1.00 0.00 C ATOM 353 CD1 LEU A 23 18.777 8.372 -20.916 1.00 0.00 C ATOM 354 CD2 LEU A 23 20.449 7.523 -19.265 1.00 0.00 C ATOM 0 H LEU A 23 20.384 10.409 -17.824 1.00 0.00 H new ATOM 0 HA LEU A 23 20.941 11.951 -20.131 1.00 0.00 H new ATOM 0 HB2 LEU A 23 20.780 9.795 -21.300 1.00 0.00 H new ATOM 0 HB3 LEU A 23 21.676 9.603 -19.807 1.00 0.00 H new ATOM 0 HG LEU A 23 19.086 9.161 -18.936 1.00 0.00 H new ATOM 0 HD11 LEU A 23 18.064 7.617 -20.585 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.237 9.252 -21.264 1.00 0.00 H new ATOM 0 HD13 LEU A 23 19.379 7.970 -21.731 1.00 0.00 H new ATOM 0 HD21 LEU A 23 19.738 6.766 -18.934 1.00 0.00 H new ATOM 0 HD22 LEU A 23 21.051 7.123 -20.081 1.00 0.00 H new ATOM 0 HD23 LEU A 23 21.099 7.798 -18.435 1.00 0.00 H new ATOM 366 N ALA A 24 17.807 11.157 -19.601 1.00 0.00 N ATOM 367 CA ALA A 24 16.445 11.406 -20.058 1.00 0.00 C ATOM 368 C ALA A 24 16.223 12.897 -20.287 1.00 0.00 C ATOM 369 O ALA A 24 15.642 13.299 -21.294 1.00 0.00 O ATOM 370 CB ALA A 24 15.444 10.893 -19.021 1.00 0.00 C ATOM 0 H ALA A 24 17.875 10.692 -18.696 1.00 0.00 H new ATOM 0 HA ALA A 24 16.295 10.878 -21.000 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.429 11.083 -19.370 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.584 9.821 -18.879 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.604 11.409 -18.074 1.00 0.00 H new ATOM 376 N ASN A 25 16.690 13.713 -19.349 1.00 0.00 N ATOM 377 CA ASN A 25 16.536 15.158 -19.465 1.00 0.00 C ATOM 378 C ASN A 25 17.313 15.684 -20.668 1.00 0.00 C ATOM 379 O ASN A 25 16.839 16.556 -21.395 1.00 0.00 O ATOM 380 CB ASN A 25 17.040 15.841 -18.192 1.00 0.00 C ATOM 381 CG ASN A 25 16.801 17.344 -18.278 1.00 0.00 C ATOM 382 OD1 ASN A 25 15.662 17.785 -18.431 1.00 0.00 O ATOM 383 ND2 ASN A 25 17.813 18.163 -18.187 1.00 0.00 N ATOM 0 H ASN A 25 17.174 13.402 -18.507 1.00 0.00 H new ATOM 0 HA ASN A 25 15.478 15.382 -19.603 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.526 15.432 -17.322 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.103 15.640 -18.058 1.00 0.00 H new ATOM 0 HD21 ASN A 25 17.661 19.170 -18.243 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.756 17.796 -18.060 1.00 0.00 H new ATOM 390 N PHE A 26 18.513 15.147 -20.866 1.00 0.00 N ATOM 391 CA PHE A 26 19.357 15.567 -21.979 1.00 0.00 C ATOM 392 C PHE A 26 18.684 15.269 -23.315 1.00 0.00 C ATOM 393 O PHE A 26 18.853 16.009 -24.282 1.00 0.00 O ATOM 394 CB PHE A 26 20.706 14.849 -21.913 1.00 0.00 C ATOM 395 CG PHE A 26 21.591 15.336 -23.036 1.00 0.00 C ATOM 396 CD1 PHE A 26 22.261 16.560 -22.918 1.00 0.00 C ATOM 397 CD2 PHE A 26 21.740 14.565 -24.195 1.00 0.00 C ATOM 398 CE1 PHE A 26 23.081 17.012 -23.958 1.00 0.00 C ATOM 399 CE2 PHE A 26 22.560 15.018 -25.236 1.00 0.00 C ATOM 400 CZ PHE A 26 23.231 16.241 -25.117 1.00 0.00 C ATOM 0 H PHE A 26 18.921 14.424 -20.274 1.00 0.00 H new ATOM 0 HA PHE A 26 19.513 16.643 -21.900 1.00 0.00 H new ATOM 0 HB2 PHE A 26 21.184 15.037 -20.951 1.00 0.00 H new ATOM 0 HB3 PHE A 26 20.561 13.772 -21.991 1.00 0.00 H new ATOM 0 HD1 PHE A 26 22.145 17.155 -22.024 1.00 0.00 H new ATOM 0 HD2 PHE A 26 21.223 13.621 -24.286 1.00 0.00 H new ATOM 0 HE1 PHE A 26 23.598 17.956 -23.867 1.00 0.00 H new ATOM 0 HE2 PHE A 26 22.675 14.424 -26.131 1.00 0.00 H new ATOM 0 HZ PHE A 26 23.864 16.590 -25.919 1.00 0.00 H new ATOM 410 N LEU A 27 17.926 14.178 -23.365 1.00 0.00 N ATOM 411 CA LEU A 27 17.238 13.793 -24.592 1.00 0.00 C ATOM 412 C LEU A 27 16.296 14.910 -25.039 1.00 0.00 C ATOM 413 O LEU A 27 16.459 15.479 -26.119 1.00 0.00 O ATOM 414 CB LEU A 27 16.451 12.491 -24.338 1.00 0.00 C ATOM 415 CG LEU A 27 15.609 12.057 -25.560 1.00 0.00 C ATOM 416 CD1 LEU A 27 14.226 12.730 -25.528 1.00 0.00 C ATOM 417 CD2 LEU A 27 16.327 12.399 -26.874 1.00 0.00 C ATOM 0 H LEU A 27 17.773 13.549 -22.576 1.00 0.00 H new ATOM 0 HA LEU A 27 17.966 13.625 -25.385 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.148 11.694 -24.080 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.794 12.630 -23.479 1.00 0.00 H new ATOM 0 HG LEU A 27 15.479 10.976 -25.509 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.647 12.413 -26.395 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.702 12.441 -24.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.348 13.813 -25.549 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.713 12.083 -27.717 1.00 0.00 H new ATOM 0 HD22 LEU A 27 16.493 13.475 -26.929 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.286 11.882 -26.910 1.00 0.00 H new ATOM 429 N VAL A 28 15.311 15.219 -24.201 1.00 0.00 N ATOM 430 CA VAL A 28 14.345 16.265 -24.521 1.00 0.00 C ATOM 431 C VAL A 28 15.017 17.635 -24.610 1.00 0.00 C ATOM 432 O VAL A 28 14.460 18.573 -25.181 1.00 0.00 O ATOM 433 CB VAL A 28 13.249 16.304 -23.454 1.00 0.00 C ATOM 434 CG1 VAL A 28 12.552 14.944 -23.385 1.00 0.00 C ATOM 435 CG2 VAL A 28 13.871 16.628 -22.093 1.00 0.00 C ATOM 0 H VAL A 28 15.161 14.763 -23.301 1.00 0.00 H new ATOM 0 HA VAL A 28 13.909 16.033 -25.493 1.00 0.00 H new ATOM 0 HB VAL A 28 12.520 17.072 -23.713 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.772 14.973 -22.625 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.107 14.714 -24.353 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.280 14.175 -23.128 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.090 16.656 -21.333 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.601 15.861 -21.835 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.365 17.598 -22.141 1.00 0.00 H new ATOM 445 N HIS A 29 16.213 17.748 -24.037 1.00 0.00 N ATOM 446 CA HIS A 29 16.944 19.010 -24.054 1.00 0.00 C ATOM 447 C HIS A 29 17.773 19.145 -25.327 1.00 0.00 C ATOM 448 O HIS A 29 18.040 20.254 -25.790 1.00 0.00 O ATOM 449 CB HIS A 29 17.866 19.092 -22.836 1.00 0.00 C ATOM 450 CG HIS A 29 18.618 20.394 -22.861 1.00 0.00 C ATOM 451 ND1 HIS A 29 18.002 21.608 -22.600 1.00 0.00 N ATOM 452 CD2 HIS A 29 19.934 20.689 -23.116 1.00 0.00 C ATOM 453 CE1 HIS A 29 18.939 22.569 -22.702 1.00 0.00 C ATOM 454 NE2 HIS A 29 20.135 22.063 -23.014 1.00 0.00 N ATOM 0 H HIS A 29 16.693 16.986 -23.558 1.00 0.00 H new ATOM 0 HA HIS A 29 16.219 19.823 -24.024 1.00 0.00 H new ATOM 0 HB2 HIS A 29 17.282 19.015 -21.919 1.00 0.00 H new ATOM 0 HB3 HIS A 29 18.565 18.256 -22.839 1.00 0.00 H new ATOM 0 HD2 HIS A 29 20.698 19.965 -23.359 1.00 0.00 H new ATOM 0 HE1 HIS A 29 18.747 23.621 -22.550 1.00 0.00 H new ATOM 0 HE2 HIS A 29 21.008 22.573 -23.149 1.00 0.00 H new ATOM 463 N SER A 30 18.185 18.012 -25.883 1.00 0.00 N ATOM 464 CA SER A 30 18.994 18.003 -27.096 1.00 0.00 C ATOM 465 C SER A 30 18.129 17.796 -28.336 1.00 0.00 C ATOM 466 O SER A 30 18.634 17.409 -29.388 1.00 0.00 O ATOM 467 CB SER A 30 20.024 16.877 -27.012 1.00 0.00 C ATOM 468 OG SER A 30 20.975 17.031 -28.056 1.00 0.00 O ATOM 0 H SER A 30 17.972 17.086 -25.512 1.00 0.00 H new ATOM 0 HA SER A 30 19.493 18.968 -27.179 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.524 16.897 -26.044 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.529 15.909 -27.095 1.00 0.00 H new ATOM 0 HG SER A 30 21.638 16.311 -28.004 1.00 0.00 H new ATOM 474 N SER A 31 16.830 18.048 -28.215 1.00 0.00 N ATOM 475 CA SER A 31 15.931 17.872 -29.351 1.00 0.00 C ATOM 476 C SER A 31 16.418 18.693 -30.544 1.00 0.00 C ATOM 477 O SER A 31 16.651 18.158 -31.627 1.00 0.00 O ATOM 478 CB SER A 31 14.515 18.307 -28.971 1.00 0.00 C ATOM 479 OG SER A 31 13.669 18.199 -30.108 1.00 0.00 O ATOM 0 H SER A 31 16.381 18.369 -27.357 1.00 0.00 H new ATOM 0 HA SER A 31 15.921 16.817 -29.626 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.136 17.684 -28.161 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.523 19.334 -28.606 1.00 0.00 H new ATOM 0 HG SER A 31 12.760 18.476 -29.867 1.00 0.00 H new ATOM 485 N ASN A 32 16.565 19.996 -30.330 1.00 0.00 N ATOM 486 CA ASN A 32 17.023 20.891 -31.389 1.00 0.00 C ATOM 487 C ASN A 32 18.271 20.327 -32.059 1.00 0.00 C ATOM 488 O ASN A 32 18.343 20.230 -33.284 1.00 0.00 O ATOM 489 CB ASN A 32 17.331 22.273 -30.810 1.00 0.00 C ATOM 490 CG ASN A 32 18.206 22.137 -29.568 1.00 0.00 C ATOM 491 OD1 ASN A 32 17.778 21.564 -28.566 1.00 0.00 O ATOM 492 ND2 ASN A 32 19.413 22.632 -29.575 1.00 0.00 N ATOM 0 H ASN A 32 16.375 20.455 -29.439 1.00 0.00 H new ATOM 0 HA ASN A 32 16.232 20.980 -32.133 1.00 0.00 H new ATOM 0 HB2 ASN A 32 17.838 22.884 -31.557 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.403 22.785 -30.556 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.005 22.545 -28.749 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.765 23.106 -30.407 1.00 0.00 H new ATOM 499 N ASN A 33 19.249 19.953 -31.244 1.00 0.00 N ATOM 500 CA ASN A 33 20.493 19.393 -31.760 1.00 0.00 C ATOM 501 C ASN A 33 20.219 18.144 -32.592 1.00 0.00 C ATOM 502 O ASN A 33 20.800 17.965 -33.662 1.00 0.00 O ATOM 503 CB ASN A 33 21.428 19.041 -30.601 1.00 0.00 C ATOM 504 CG ASN A 33 21.950 20.316 -29.948 1.00 0.00 C ATOM 505 OD1 ASN A 33 21.695 20.559 -28.768 1.00 0.00 O ATOM 506 ND2 ASN A 33 22.671 21.149 -30.647 1.00 0.00 N ATOM 0 H ASN A 33 19.206 20.026 -30.228 1.00 0.00 H new ATOM 0 HA ASN A 33 20.967 20.141 -32.396 1.00 0.00 H new ATOM 0 HB2 ASN A 33 20.897 18.437 -29.865 1.00 0.00 H new ATOM 0 HB3 ASN A 33 22.262 18.441 -30.965 1.00 0.00 H new ATOM 0 HD21 ASN A 33 23.025 22.003 -30.216 1.00 0.00 H new ATOM 0 HD22 ASN A 33 22.881 20.946 -31.624 1.00 0.00 H new ATOM 513 N PHE A 34 19.340 17.280 -32.098 1.00 0.00 N ATOM 514 CA PHE A 34 19.011 16.050 -32.811 1.00 0.00 C ATOM 515 C PHE A 34 18.577 16.349 -34.242 1.00 0.00 C ATOM 516 O PHE A 34 19.074 15.741 -35.190 1.00 0.00 O ATOM 517 CB PHE A 34 17.884 15.315 -32.082 1.00 0.00 C ATOM 518 CG PHE A 34 17.596 14.010 -32.785 1.00 0.00 C ATOM 519 CD1 PHE A 34 18.532 12.970 -32.740 1.00 0.00 C ATOM 520 CD2 PHE A 34 16.392 13.839 -33.480 1.00 0.00 C ATOM 521 CE1 PHE A 34 18.265 11.759 -33.391 1.00 0.00 C ATOM 522 CE2 PHE A 34 16.126 12.628 -34.131 1.00 0.00 C ATOM 523 CZ PHE A 34 17.062 11.589 -34.086 1.00 0.00 C ATOM 0 H PHE A 34 18.846 17.406 -31.215 1.00 0.00 H new ATOM 0 HA PHE A 34 19.903 15.424 -32.841 1.00 0.00 H new ATOM 0 HB2 PHE A 34 18.168 15.127 -31.047 1.00 0.00 H new ATOM 0 HB3 PHE A 34 16.987 15.934 -32.059 1.00 0.00 H new ATOM 0 HD1 PHE A 34 19.460 13.101 -32.203 1.00 0.00 H new ATOM 0 HD2 PHE A 34 15.669 14.641 -33.514 1.00 0.00 H new ATOM 0 HE1 PHE A 34 18.987 10.957 -33.357 1.00 0.00 H new ATOM 0 HE2 PHE A 34 15.198 12.496 -34.668 1.00 0.00 H new ATOM 0 HZ PHE A 34 16.856 10.655 -34.588 1.00 0.00 H new ATOM 533 N GLY A 35 17.643 17.283 -34.393 1.00 0.00 N ATOM 534 CA GLY A 35 17.149 17.641 -35.717 1.00 0.00 C ATOM 535 C GLY A 35 18.254 18.268 -36.561 1.00 0.00 C ATOM 536 O GLY A 35 18.359 18.009 -37.759 1.00 0.00 O ATOM 0 H GLY A 35 17.217 17.800 -33.624 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.763 16.753 -36.218 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.318 18.340 -35.622 1.00 0.00 H new ATOM 540 N ALA A 36 19.073 19.097 -35.922 1.00 0.00 N ATOM 541 CA ALA A 36 20.170 19.764 -36.615 1.00 0.00 C ATOM 542 C ALA A 36 21.148 18.743 -37.191 1.00 0.00 C ATOM 543 O ALA A 36 21.605 18.880 -38.326 1.00 0.00 O ATOM 544 CB ALA A 36 20.910 20.690 -35.648 1.00 0.00 C ATOM 0 H ALA A 36 18.999 19.322 -34.930 1.00 0.00 H new ATOM 0 HA ALA A 36 19.752 20.349 -37.434 1.00 0.00 H new ATOM 0 HB1 ALA A 36 21.728 21.185 -36.172 1.00 0.00 H new ATOM 0 HB2 ALA A 36 20.220 21.440 -35.262 1.00 0.00 H new ATOM 0 HB3 ALA A 36 21.311 20.106 -34.820 1.00 0.00 H new ATOM 550 N ILE A 37 21.465 17.722 -36.403 1.00 0.00 N ATOM 551 CA ILE A 37 22.391 16.686 -36.848 1.00 0.00 C ATOM 552 C ILE A 37 21.767 15.836 -37.951 1.00 0.00 C ATOM 553 O ILE A 37 22.416 15.539 -38.954 1.00 0.00 O ATOM 554 CB ILE A 37 22.788 15.792 -35.671 1.00 0.00 C ATOM 555 CG1 ILE A 37 23.690 16.577 -34.714 1.00 0.00 C ATOM 556 CG2 ILE A 37 23.543 14.568 -36.192 1.00 0.00 C ATOM 557 CD1 ILE A 37 23.846 15.798 -33.407 1.00 0.00 C ATOM 0 H ILE A 37 21.098 17.589 -35.460 1.00 0.00 H new ATOM 0 HA ILE A 37 23.280 17.175 -37.246 1.00 0.00 H new ATOM 0 HB ILE A 37 21.891 15.469 -35.143 1.00 0.00 H new ATOM 0 HG12 ILE A 37 24.666 16.742 -35.170 1.00 0.00 H new ATOM 0 HG13 ILE A 37 23.261 17.559 -34.516 1.00 0.00 H new ATOM 0 HG21 ILE A 37 23.826 13.931 -35.354 1.00 0.00 H new ATOM 0 HG22 ILE A 37 22.902 14.008 -36.873 1.00 0.00 H new ATOM 0 HG23 ILE A 37 24.440 14.891 -36.721 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.488 16.356 -32.725 1.00 0.00 H new ATOM 0 HD12 ILE A 37 22.867 15.656 -32.949 1.00 0.00 H new ATOM 0 HD13 ILE A 37 24.294 14.826 -33.614 1.00 0.00 H new ATOM 569 N LEU A 38 20.511 15.447 -37.766 1.00 0.00 N ATOM 570 CA LEU A 38 19.827 14.631 -38.763 1.00 0.00 C ATOM 571 C LEU A 38 19.745 15.380 -40.090 1.00 0.00 C ATOM 572 O LEU A 38 19.988 14.812 -41.154 1.00 0.00 O ATOM 573 CB LEU A 38 18.417 14.282 -38.275 1.00 0.00 C ATOM 574 CG LEU A 38 17.696 13.427 -39.322 1.00 0.00 C ATOM 575 CD1 LEU A 38 18.426 12.093 -39.492 1.00 0.00 C ATOM 576 CD2 LEU A 38 16.261 13.162 -38.858 1.00 0.00 C ATOM 0 H LEU A 38 19.951 15.679 -36.946 1.00 0.00 H new ATOM 0 HA LEU A 38 20.392 13.711 -38.911 1.00 0.00 H new ATOM 0 HB2 LEU A 38 18.474 13.742 -37.330 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.852 15.195 -38.088 1.00 0.00 H new ATOM 0 HG LEU A 38 17.685 13.957 -40.275 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.910 11.488 -40.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 19.449 12.277 -39.819 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.440 11.562 -38.540 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.745 12.554 -39.601 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.279 12.633 -37.905 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.737 14.110 -38.738 1.00 0.00 H new ATOM 588 N SER A 39 19.396 16.659 -40.013 1.00 0.00 N ATOM 589 CA SER A 39 19.276 17.486 -41.207 1.00 0.00 C ATOM 590 C SER A 39 20.555 17.422 -42.035 1.00 0.00 C ATOM 591 O SER A 39 20.513 17.463 -43.265 1.00 0.00 O ATOM 592 CB SER A 39 18.997 18.936 -40.811 1.00 0.00 C ATOM 593 OG SER A 39 17.723 19.014 -40.183 1.00 0.00 O ATOM 0 H SER A 39 19.192 17.144 -39.139 1.00 0.00 H new ATOM 0 HA SER A 39 18.449 17.106 -41.807 1.00 0.00 H new ATOM 0 HB2 SER A 39 19.772 19.296 -40.134 1.00 0.00 H new ATOM 0 HB3 SER A 39 19.021 19.577 -41.692 1.00 0.00 H new ATOM 0 HG SER A 39 17.813 18.795 -39.232 1.00 0.00 H new ATOM 599 N SER A 40 21.692 17.320 -41.354 1.00 0.00 N ATOM 600 CA SER A 40 22.979 17.250 -42.037 1.00 0.00 C ATOM 601 C SER A 40 23.366 15.799 -42.310 1.00 0.00 C ATOM 602 O SER A 40 24.542 15.439 -42.250 1.00 0.00 O ATOM 603 CB SER A 40 24.059 17.916 -41.184 1.00 0.00 C ATOM 604 OG SER A 40 23.787 19.308 -41.084 1.00 0.00 O ATOM 0 H SER A 40 21.749 17.284 -40.336 1.00 0.00 H new ATOM 0 HA SER A 40 22.892 17.775 -42.989 1.00 0.00 H new ATOM 0 HB2 SER A 40 24.083 17.466 -40.191 1.00 0.00 H new ATOM 0 HB3 SER A 40 25.041 17.757 -41.630 1.00 0.00 H new ATOM 0 HG SER A 40 24.477 19.738 -40.536 1.00 0.00 H new ATOM 610 N THR A 41 22.370 14.971 -42.611 1.00 0.00 N ATOM 611 CA THR A 41 22.618 13.561 -42.892 1.00 0.00 C ATOM 612 C THR A 41 23.604 13.398 -44.048 1.00 0.00 C ATOM 613 O THR A 41 24.183 12.328 -44.231 1.00 0.00 O ATOM 614 CB THR A 41 21.303 12.860 -43.239 1.00 0.00 C ATOM 615 OG1 THR A 41 21.548 11.476 -43.449 1.00 0.00 O ATOM 616 CG2 THR A 41 20.714 13.475 -44.509 1.00 0.00 C ATOM 0 H THR A 41 21.390 15.249 -42.666 1.00 0.00 H new ATOM 0 HA THR A 41 23.051 13.108 -42.000 1.00 0.00 H new ATOM 0 HB THR A 41 20.597 12.984 -42.418 1.00 0.00 H new ATOM 0 HG1 THR A 41 21.158 10.959 -42.713 1.00 0.00 H new ATOM 0 HG21 THR A 41 19.777 12.975 -44.755 1.00 0.00 H new ATOM 0 HG22 THR A 41 20.527 14.536 -44.346 1.00 0.00 H new ATOM 0 HG23 THR A 41 21.418 13.353 -45.332 1.00 0.00 H new ATOM 624 N ASN A 42 23.792 14.462 -44.828 1.00 0.00 N ATOM 625 CA ASN A 42 24.711 14.412 -45.960 1.00 0.00 C ATOM 626 C ASN A 42 26.094 13.940 -45.515 1.00 0.00 C ATOM 627 O ASN A 42 26.879 13.446 -46.323 1.00 0.00 O ATOM 628 CB ASN A 42 24.825 15.796 -46.602 1.00 0.00 C ATOM 629 CG ASN A 42 25.528 16.757 -45.650 1.00 0.00 C ATOM 630 OD1 ASN A 42 25.476 16.577 -44.433 1.00 0.00 O ATOM 631 ND2 ASN A 42 26.188 17.774 -46.133 1.00 0.00 N ATOM 0 H ASN A 42 23.325 15.359 -44.698 1.00 0.00 H new ATOM 0 HA ASN A 42 24.317 13.703 -46.689 1.00 0.00 H new ATOM 0 HB2 ASN A 42 25.380 15.727 -47.538 1.00 0.00 H new ATOM 0 HB3 ASN A 42 23.833 16.175 -46.847 1.00 0.00 H new ATOM 0 HD21 ASN A 42 26.661 18.421 -45.502 1.00 0.00 H new ATOM 0 HD22 ASN A 42 26.230 17.922 -47.141 1.00 0.00 H new ATOM 638 N VAL A 43 26.386 14.094 -44.225 1.00 0.00 N ATOM 639 CA VAL A 43 27.677 13.677 -43.688 1.00 0.00 C ATOM 640 C VAL A 43 27.973 12.226 -44.061 1.00 0.00 C ATOM 641 O VAL A 43 29.132 11.813 -44.107 1.00 0.00 O ATOM 642 CB VAL A 43 27.679 13.823 -42.166 1.00 0.00 C ATOM 643 CG1 VAL A 43 26.797 12.737 -41.547 1.00 0.00 C ATOM 644 CG2 VAL A 43 29.109 13.677 -41.642 1.00 0.00 C ATOM 0 H VAL A 43 25.751 14.501 -43.538 1.00 0.00 H new ATOM 0 HA VAL A 43 28.450 14.314 -44.117 1.00 0.00 H new ATOM 0 HB VAL A 43 27.290 14.805 -41.895 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.799 12.841 -40.462 1.00 0.00 H new ATOM 0 HG12 VAL A 43 25.778 12.840 -41.920 1.00 0.00 H new ATOM 0 HG13 VAL A 43 27.185 11.755 -41.818 1.00 0.00 H new ATOM 0 HG21 VAL A 43 29.111 13.781 -40.557 1.00 0.00 H new ATOM 0 HG22 VAL A 43 29.497 12.695 -41.913 1.00 0.00 H new ATOM 0 HG23 VAL A 43 29.738 14.451 -42.082 1.00 0.00 H new ATOM 654 N GLY A 44 26.920 11.458 -44.325 1.00 0.00 N ATOM 655 CA GLY A 44 27.082 10.055 -44.692 1.00 0.00 C ATOM 656 C GLY A 44 26.166 9.161 -43.861 1.00 0.00 C ATOM 657 O GLY A 44 26.463 7.987 -43.642 1.00 0.00 O ATOM 0 H GLY A 44 25.953 11.780 -44.292 1.00 0.00 H new ATOM 0 HA2 GLY A 44 26.859 9.925 -45.751 1.00 0.00 H new ATOM 0 HA3 GLY A 44 28.119 9.755 -44.545 1.00 0.00 H new ATOM 661 N SER A 45 25.053 9.724 -43.402 1.00 0.00 N ATOM 662 CA SER A 45 24.101 8.968 -42.597 1.00 0.00 C ATOM 663 C SER A 45 22.720 8.984 -43.247 1.00 0.00 C ATOM 664 O SER A 45 21.701 8.895 -42.562 1.00 0.00 O ATOM 665 CB SER A 45 24.012 9.565 -41.193 1.00 0.00 C ATOM 666 OG SER A 45 23.593 10.920 -41.284 1.00 0.00 O ATOM 0 H SER A 45 24.789 10.695 -43.572 1.00 0.00 H new ATOM 0 HA SER A 45 24.449 7.937 -42.531 1.00 0.00 H new ATOM 0 HB2 SER A 45 23.308 8.995 -40.587 1.00 0.00 H new ATOM 0 HB3 SER A 45 24.981 9.505 -40.698 1.00 0.00 H new ATOM 0 HG SER A 45 22.949 11.015 -42.016 1.00 0.00 H new ATOM 672 N ASN A 46 22.696 9.099 -44.571 1.00 0.00 N ATOM 673 CA ASN A 46 21.435 9.127 -45.304 1.00 0.00 C ATOM 674 C ASN A 46 21.046 7.725 -45.768 1.00 0.00 C ATOM 675 O ASN A 46 20.266 7.569 -46.708 1.00 0.00 O ATOM 676 CB ASN A 46 21.558 10.050 -46.517 1.00 0.00 C ATOM 677 CG ASN A 46 22.593 9.495 -47.490 1.00 0.00 C ATOM 678 OD1 ASN A 46 23.750 9.295 -47.120 1.00 0.00 O ATOM 679 ND2 ASN A 46 22.244 9.233 -48.720 1.00 0.00 N ATOM 0 H ASN A 46 23.529 9.174 -45.155 1.00 0.00 H new ATOM 0 HA ASN A 46 20.660 9.502 -44.636 1.00 0.00 H new ATOM 0 HB2 ASN A 46 20.592 10.142 -47.014 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.848 11.050 -46.196 1.00 0.00 H new ATOM 0 HD21 ASN A 46 22.930 8.862 -49.377 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.285 9.399 -49.024 1.00 0.00 H new ATOM 686 N THR A 47 21.592 6.709 -45.106 1.00 0.00 N ATOM 687 CA THR A 47 21.290 5.328 -45.465 1.00 0.00 C ATOM 688 C THR A 47 20.126 4.800 -44.632 1.00 0.00 C ATOM 689 O THR A 47 20.031 3.602 -44.370 1.00 0.00 O ATOM 690 CB THR A 47 22.522 4.448 -45.242 1.00 0.00 C ATOM 691 OG1 THR A 47 23.690 5.173 -45.601 1.00 0.00 O ATOM 692 CG2 THR A 47 22.414 3.189 -46.102 1.00 0.00 C ATOM 0 H THR A 47 22.240 6.814 -44.325 1.00 0.00 H new ATOM 0 HA THR A 47 21.010 5.299 -46.518 1.00 0.00 H new ATOM 0 HB THR A 47 22.581 4.162 -44.192 1.00 0.00 H new ATOM 0 HG1 THR A 47 24.480 4.612 -45.457 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.292 2.563 -45.942 1.00 0.00 H new ATOM 0 HG22 THR A 47 21.518 2.635 -45.824 1.00 0.00 H new ATOM 0 HG23 THR A 47 22.355 3.470 -47.153 1.00 0.00 H new ATOM 700 N TYR A 48 19.245 5.705 -44.219 1.00 0.00 N ATOM 701 CA TYR A 48 18.091 5.322 -43.414 1.00 0.00 C ATOM 702 C TYR A 48 16.793 5.741 -44.101 1.00 0.00 C ATOM 703 O TYR A 48 15.768 5.932 -43.448 1.00 0.00 O ATOM 704 CB TYR A 48 18.178 5.979 -42.034 1.00 0.00 C ATOM 705 CG TYR A 48 17.912 7.461 -42.160 1.00 0.00 C ATOM 706 CD1 TYR A 48 16.685 7.990 -41.742 1.00 0.00 C ATOM 707 CD2 TYR A 48 18.892 8.305 -42.696 1.00 0.00 C ATOM 708 CE1 TYR A 48 16.438 9.363 -41.860 1.00 0.00 C ATOM 709 CE2 TYR A 48 18.645 9.678 -42.814 1.00 0.00 C ATOM 710 CZ TYR A 48 17.418 10.207 -42.396 1.00 0.00 C ATOM 711 OH TYR A 48 17.174 11.560 -42.513 1.00 0.00 O ATOM 0 H TYR A 48 19.307 6.702 -44.426 1.00 0.00 H new ATOM 0 HA TYR A 48 18.093 4.238 -43.301 1.00 0.00 H new ATOM 0 HB2 TYR A 48 17.453 5.525 -41.358 1.00 0.00 H new ATOM 0 HB3 TYR A 48 19.165 5.812 -41.602 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.929 7.339 -41.329 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.839 7.897 -43.018 1.00 0.00 H new ATOM 0 HE1 TYR A 48 15.491 9.771 -41.538 1.00 0.00 H new ATOM 0 HE2 TYR A 48 19.401 10.329 -43.227 1.00 0.00 H new ATOM 0 HH TYR A 48 17.957 12.001 -42.903 1.00 0.00 H new ATOM 721 N GLY A 49 16.845 5.881 -45.423 1.00 0.00 N ATOM 722 CA GLY A 49 15.668 6.279 -46.185 1.00 0.00 C ATOM 723 C GLY A 49 14.458 5.433 -45.803 1.00 0.00 C ATOM 724 O GLY A 49 14.465 4.212 -45.963 1.00 0.00 O ATOM 0 H GLY A 49 17.683 5.726 -45.984 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.452 7.332 -46.004 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.868 6.174 -47.251 1.00 0.00 H new ATOM 728 N LYS A 50 13.421 6.092 -45.297 1.00 0.00 N ATOM 729 CA LYS A 50 12.205 5.394 -44.893 1.00 0.00 C ATOM 730 C LYS A 50 11.445 4.886 -46.114 1.00 0.00 C ATOM 731 O LYS A 50 10.691 3.917 -46.028 1.00 0.00 O ATOM 732 CB LYS A 50 11.308 6.335 -44.087 1.00 0.00 C ATOM 733 CG LYS A 50 11.943 6.597 -42.719 1.00 0.00 C ATOM 734 CD LYS A 50 10.972 7.397 -41.847 1.00 0.00 C ATOM 735 CE LYS A 50 10.918 8.845 -42.335 1.00 0.00 C ATOM 736 NZ LYS A 50 12.260 9.473 -42.177 1.00 0.00 N ATOM 0 H LYS A 50 13.397 7.102 -45.157 1.00 0.00 H new ATOM 0 HA LYS A 50 12.487 4.541 -44.276 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.173 7.274 -44.623 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.319 5.894 -43.962 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.189 5.652 -42.234 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.877 7.146 -42.839 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.978 6.951 -41.889 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.292 7.365 -40.806 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.611 8.876 -43.380 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.174 9.404 -41.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.150 10.498 -42.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.739 9.064 -41.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.829 9.295 -43.029 1.00 0.00 H new ATOM 750 N ARG A 51 11.648 5.546 -47.250 1.00 0.00 N ATOM 751 CA ARG A 51 10.976 5.152 -48.483 1.00 0.00 C ATOM 752 C ARG A 51 11.469 3.788 -48.964 1.00 0.00 C ATOM 753 O ARG A 51 10.809 3.132 -49.770 1.00 0.00 O ATOM 754 CB ARG A 51 11.224 6.199 -49.572 1.00 0.00 C ATOM 755 CG ARG A 51 12.683 6.134 -50.031 1.00 0.00 C ATOM 756 CD ARG A 51 12.967 7.290 -50.991 1.00 0.00 C ATOM 757 NE ARG A 51 14.331 7.198 -51.504 1.00 0.00 N ATOM 758 CZ ARG A 51 15.380 7.611 -50.791 1.00 0.00 C ATOM 759 NH1 ARG A 51 15.221 8.116 -49.594 1.00 0.00 N ATOM 760 NH2 ARG A 51 16.580 7.511 -51.295 1.00 0.00 N ATOM 0 H ARG A 51 12.268 6.351 -47.342 1.00 0.00 H new ATOM 0 HA ARG A 51 9.908 5.083 -48.279 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.559 6.022 -50.417 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.997 7.195 -49.191 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.349 6.190 -49.170 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.878 5.182 -50.524 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.258 7.268 -51.818 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.828 8.241 -50.477 1.00 0.00 H new ATOM 0 HE ARG A 51 14.486 6.807 -52.433 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.286 8.198 -49.195 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.032 8.428 -49.060 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.710 7.119 -52.228 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.387 7.825 -50.756 1.00 0.00 H new ATOM 774 N ASN A 52 12.630 3.366 -48.471 1.00 0.00 N ATOM 775 CA ASN A 52 13.191 2.079 -48.866 1.00 0.00 C ATOM 776 C ASN A 52 12.463 0.935 -48.165 1.00 0.00 C ATOM 777 O ASN A 52 12.435 -0.192 -48.660 1.00 0.00 O ATOM 778 CB ASN A 52 14.679 2.029 -48.514 1.00 0.00 C ATOM 779 CG ASN A 52 15.443 1.266 -49.590 1.00 0.00 C ATOM 780 OD1 ASN A 52 16.589 1.599 -49.894 1.00 0.00 O ATOM 781 ND2 ASN A 52 14.875 0.254 -50.188 1.00 0.00 N ATOM 0 H ASN A 52 13.195 3.891 -47.804 1.00 0.00 H new ATOM 0 HA ASN A 52 13.066 1.966 -49.943 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.074 3.041 -48.424 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.816 1.546 -47.547 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.380 -0.262 -50.908 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.926 -0.021 -49.935 1.00 0.00 H new ATOM 788 N ALA A 53 11.880 1.232 -47.008 1.00 0.00 N ATOM 789 CA ALA A 53 11.160 0.221 -46.242 1.00 0.00 C ATOM 790 C ALA A 53 9.997 -0.349 -47.048 1.00 0.00 C ATOM 791 O ALA A 53 9.733 -1.551 -47.007 1.00 0.00 O ATOM 792 CB ALA A 53 10.628 0.834 -44.945 1.00 0.00 C ATOM 0 H ALA A 53 11.892 2.159 -46.582 1.00 0.00 H new ATOM 0 HA ALA A 53 11.853 -0.588 -46.011 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.091 0.074 -44.377 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.461 1.209 -44.351 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.952 1.656 -45.181 1.00 0.00 H new ATOM 798 N VAL A 54 9.302 0.517 -47.778 1.00 0.00 N ATOM 799 CA VAL A 54 8.168 0.077 -48.583 1.00 0.00 C ATOM 800 C VAL A 54 8.648 -0.586 -49.872 1.00 0.00 C ATOM 801 O VAL A 54 7.984 -1.474 -50.406 1.00 0.00 O ATOM 802 CB VAL A 54 7.257 1.265 -48.910 1.00 0.00 C ATOM 803 CG1 VAL A 54 7.723 1.943 -50.200 1.00 0.00 C ATOM 804 CG2 VAL A 54 5.820 0.768 -49.086 1.00 0.00 C ATOM 0 H VAL A 54 9.501 1.516 -47.829 1.00 0.00 H new ATOM 0 HA VAL A 54 7.602 -0.655 -48.007 1.00 0.00 H new ATOM 0 HB VAL A 54 7.301 1.985 -48.093 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.070 2.786 -50.424 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.745 2.300 -50.075 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.686 1.227 -51.021 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.169 1.611 -49.319 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.782 0.045 -49.901 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.484 0.294 -48.164 1.00 0.00 H new ATOM 814 N GLU A 55 9.802 -0.150 -50.369 1.00 0.00 N ATOM 815 CA GLU A 55 10.353 -0.713 -51.597 1.00 0.00 C ATOM 816 C GLU A 55 10.666 -2.195 -51.418 1.00 0.00 C ATOM 817 O GLU A 55 10.271 -3.024 -52.238 1.00 0.00 O ATOM 818 CB GLU A 55 11.628 0.039 -51.987 1.00 0.00 C ATOM 819 CG GLU A 55 12.045 -0.360 -53.405 1.00 0.00 C ATOM 820 CD GLU A 55 12.828 -1.669 -53.377 1.00 0.00 C ATOM 821 OE1 GLU A 55 13.503 -1.915 -52.391 1.00 0.00 O ATOM 822 OE2 GLU A 55 12.741 -2.408 -54.345 1.00 0.00 O ATOM 0 H GLU A 55 10.369 0.584 -49.945 1.00 0.00 H new ATOM 0 HA GLU A 55 9.611 -0.607 -52.388 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.458 1.114 -51.936 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.428 -0.191 -51.283 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.162 -0.470 -54.034 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.655 0.427 -53.847 1.00 0.00 H new ATOM 829 N VAL A 56 11.378 -2.524 -50.344 1.00 0.00 N ATOM 830 CA VAL A 56 11.734 -3.914 -50.080 1.00 0.00 C ATOM 831 C VAL A 56 10.487 -4.737 -49.763 1.00 0.00 C ATOM 832 O VAL A 56 10.353 -5.874 -50.214 1.00 0.00 O ATOM 833 CB VAL A 56 12.727 -3.997 -48.916 1.00 0.00 C ATOM 834 CG1 VAL A 56 12.105 -3.402 -47.651 1.00 0.00 C ATOM 835 CG2 VAL A 56 13.089 -5.462 -48.662 1.00 0.00 C ATOM 0 H VAL A 56 11.716 -1.857 -49.651 1.00 0.00 H new ATOM 0 HA VAL A 56 12.203 -4.323 -50.975 1.00 0.00 H new ATOM 0 HB VAL A 56 13.624 -3.433 -49.172 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.819 -3.466 -46.830 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.848 -2.358 -47.828 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.204 -3.958 -47.392 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.795 -5.524 -47.834 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.188 -6.022 -48.412 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.542 -5.885 -49.558 1.00 0.00 H new ATOM 845 N LEU A 57 9.577 -4.156 -48.986 1.00 0.00 N ATOM 846 CA LEU A 57 8.346 -4.846 -48.615 1.00 0.00 C ATOM 847 C LEU A 57 7.618 -5.366 -49.851 1.00 0.00 C ATOM 848 O LEU A 57 7.260 -6.542 -49.920 1.00 0.00 O ATOM 849 CB LEU A 57 7.425 -3.892 -47.850 1.00 0.00 C ATOM 850 CG LEU A 57 7.242 -4.399 -46.419 1.00 0.00 C ATOM 851 CD1 LEU A 57 8.437 -3.968 -45.566 1.00 0.00 C ATOM 852 CD2 LEU A 57 5.958 -3.809 -45.831 1.00 0.00 C ATOM 0 H LEU A 57 9.668 -3.215 -48.603 1.00 0.00 H new ATOM 0 HA LEU A 57 8.610 -5.693 -47.982 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.850 -2.888 -47.840 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.459 -3.824 -48.349 1.00 0.00 H new ATOM 0 HG LEU A 57 7.175 -5.487 -46.425 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.306 -4.330 -44.546 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.352 -4.386 -45.984 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.505 -2.880 -45.559 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.826 -4.169 -44.811 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.027 -2.721 -45.826 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.106 -4.116 -46.437 1.00 0.00 H new ATOM 864 N LYS A 58 7.394 -4.485 -50.820 1.00 0.00 N ATOM 865 CA LYS A 58 6.697 -4.875 -52.041 1.00 0.00 C ATOM 866 C LYS A 58 7.498 -5.922 -52.813 1.00 0.00 C ATOM 867 O LYS A 58 6.945 -6.664 -53.624 1.00 0.00 O ATOM 868 CB LYS A 58 6.467 -3.649 -52.927 1.00 0.00 C ATOM 869 CG LYS A 58 5.396 -2.754 -52.298 1.00 0.00 C ATOM 870 CD LYS A 58 4.011 -3.349 -52.560 1.00 0.00 C ATOM 871 CE LYS A 58 2.937 -2.381 -52.061 1.00 0.00 C ATOM 872 NZ LYS A 58 3.000 -2.292 -50.575 1.00 0.00 N ATOM 0 H LYS A 58 7.681 -3.507 -50.786 1.00 0.00 H new ATOM 0 HA LYS A 58 5.736 -5.307 -51.762 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.397 -3.093 -53.044 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.155 -3.961 -53.924 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.567 -2.664 -51.225 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.456 -1.749 -52.716 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.880 -3.537 -53.626 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.914 -4.309 -52.053 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.088 -1.395 -52.502 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.950 -2.723 -52.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.146 -1.817 -50.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.058 -3.249 -50.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.841 -1.747 -50.295 1.00 0.00 H new ATOM 886 N ARG A 59 8.803 -5.970 -52.560 1.00 0.00 N ATOM 887 CA ARG A 59 9.671 -6.925 -53.240 1.00 0.00 C ATOM 888 C ARG A 59 9.342 -8.354 -52.815 1.00 0.00 C ATOM 889 O ARG A 59 9.435 -9.286 -53.615 1.00 0.00 O ATOM 890 CB ARG A 59 11.135 -6.618 -52.916 1.00 0.00 C ATOM 891 CG ARG A 59 12.038 -7.242 -53.982 1.00 0.00 C ATOM 892 CD ARG A 59 12.705 -8.497 -53.417 1.00 0.00 C ATOM 893 NE ARG A 59 13.768 -8.948 -54.311 1.00 0.00 N ATOM 894 CZ ARG A 59 14.453 -10.069 -54.079 1.00 0.00 C ATOM 895 NH1 ARG A 59 14.193 -10.809 -53.032 1.00 0.00 N ATOM 896 NH2 ARG A 59 15.395 -10.432 -54.906 1.00 0.00 N ATOM 0 H ARG A 59 9.280 -5.363 -51.893 1.00 0.00 H new ATOM 0 HA ARG A 59 9.507 -6.834 -54.314 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.291 -5.540 -52.878 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.391 -7.012 -51.932 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.453 -7.495 -54.866 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.796 -6.525 -54.296 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.115 -8.287 -52.429 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.964 -9.287 -53.293 1.00 0.00 H new ATOM 0 HE ARG A 59 13.993 -8.391 -55.135 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.459 -10.531 -52.381 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.725 -11.664 -52.867 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.604 -9.860 -55.724 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.922 -11.288 -54.734 1.00 0.00 H new ATOM 910 N GLU A 60 8.962 -8.521 -51.552 1.00 0.00 N ATOM 911 CA GLU A 60 8.626 -9.843 -51.033 1.00 0.00 C ATOM 912 C GLU A 60 7.217 -9.849 -50.445 1.00 0.00 C ATOM 913 O GLU A 60 7.042 -9.854 -49.227 1.00 0.00 O ATOM 914 CB GLU A 60 9.629 -10.245 -49.950 1.00 0.00 C ATOM 915 CG GLU A 60 11.027 -10.355 -50.563 1.00 0.00 C ATOM 916 CD GLU A 60 11.200 -11.721 -51.218 1.00 0.00 C ATOM 917 OE1 GLU A 60 10.223 -12.447 -51.296 1.00 0.00 O ATOM 918 OE2 GLU A 60 12.307 -12.022 -51.630 1.00 0.00 O ATOM 0 H GLU A 60 8.879 -7.764 -50.873 1.00 0.00 H new ATOM 0 HA GLU A 60 8.667 -10.556 -51.856 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.629 -9.507 -49.148 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.339 -11.198 -49.507 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.173 -9.567 -51.302 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.784 -10.213 -49.792 1.00 0.00 H new ATOM 925 N PRO A 61 6.218 -9.849 -51.287 1.00 0.00 N ATOM 926 CA PRO A 61 4.791 -9.855 -50.847 1.00 0.00 C ATOM 927 C PRO A 61 4.394 -11.173 -50.186 1.00 0.00 C ATOM 928 O PRO A 61 3.406 -11.238 -49.456 1.00 0.00 O ATOM 929 CB PRO A 61 4.005 -9.634 -52.142 1.00 0.00 C ATOM 930 CG PRO A 61 4.910 -10.085 -53.240 1.00 0.00 C ATOM 931 CD PRO A 61 6.338 -9.845 -52.754 1.00 0.00 C ATOM 0 HA PRO A 61 4.597 -9.093 -50.092 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.076 -10.205 -52.140 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.734 -8.585 -52.263 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.750 -11.139 -53.466 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.714 -9.529 -54.157 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.015 -10.626 -53.102 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.731 -8.896 -53.120 1.00 0.00 H new ATOM 939 N LEU A 62 5.167 -12.221 -50.450 1.00 0.00 N ATOM 940 CA LEU A 62 4.882 -13.530 -49.877 1.00 0.00 C ATOM 941 C LEU A 62 4.935 -13.472 -48.354 1.00 0.00 C ATOM 942 O LEU A 62 4.088 -14.046 -47.670 1.00 0.00 O ATOM 943 CB LEU A 62 5.903 -14.551 -50.384 1.00 0.00 C ATOM 944 CG LEU A 62 5.457 -15.959 -49.986 1.00 0.00 C ATOM 945 CD1 LEU A 62 5.746 -16.930 -51.132 1.00 0.00 C ATOM 946 CD2 LEU A 62 6.224 -16.402 -48.738 1.00 0.00 C ATOM 0 H LEU A 62 5.989 -12.190 -51.052 1.00 0.00 H new ATOM 0 HA LEU A 62 3.880 -13.831 -50.183 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.997 -14.480 -51.468 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.886 -14.337 -49.965 1.00 0.00 H new ATOM 0 HG LEU A 62 4.388 -15.955 -49.775 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.428 -17.933 -50.848 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.201 -16.615 -52.022 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.815 -16.935 -51.344 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.907 -17.405 -48.453 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.293 -16.406 -48.950 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.019 -15.711 -47.920 1.00 0.00 H new ATOM 958 N ASN A 63 5.941 -12.778 -47.831 1.00 0.00 N ATOM 959 CA ASN A 63 6.103 -12.654 -46.387 1.00 0.00 C ATOM 960 C ASN A 63 4.954 -11.854 -45.781 1.00 0.00 C ATOM 961 O ASN A 63 4.544 -12.102 -44.647 1.00 0.00 O ATOM 962 CB ASN A 63 7.430 -11.962 -46.067 1.00 0.00 C ATOM 963 CG ASN A 63 7.193 -10.479 -45.801 1.00 0.00 C ATOM 964 OD1 ASN A 63 6.949 -10.075 -44.584 1.00 0.00 O flip ATOM 965 ND2 ASN A 63 7.231 -9.667 -46.725 1.00 0.00 N flip ATOM 0 H ASN A 63 6.652 -12.296 -48.381 1.00 0.00 H new ATOM 0 HA ASN A 63 6.100 -13.655 -45.956 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.892 -12.427 -45.196 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.124 -12.085 -46.899 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.422 -9.984 -47.675 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.072 -8.677 -46.540 1.00 0.00 H new ATOM 972 N TYR A 64 4.441 -10.892 -46.541 1.00 0.00 N ATOM 973 CA TYR A 64 3.342 -10.061 -46.062 1.00 0.00 C ATOM 974 C TYR A 64 2.029 -10.836 -46.082 1.00 0.00 C ATOM 975 O TYR A 64 1.226 -10.735 -45.154 1.00 0.00 O ATOM 976 CB TYR A 64 3.213 -8.809 -46.932 1.00 0.00 C ATOM 977 CG TYR A 64 2.098 -7.941 -46.401 1.00 0.00 C ATOM 978 CD1 TYR A 64 2.312 -7.139 -45.274 1.00 0.00 C ATOM 979 CD2 TYR A 64 0.850 -7.938 -47.036 1.00 0.00 C ATOM 980 CE1 TYR A 64 1.277 -6.334 -44.781 1.00 0.00 C ATOM 981 CE2 TYR A 64 -0.184 -7.133 -46.544 1.00 0.00 C ATOM 982 CZ TYR A 64 0.029 -6.331 -45.416 1.00 0.00 C ATOM 983 OH TYR A 64 -0.990 -5.537 -44.931 1.00 0.00 O ATOM 0 H TYR A 64 4.765 -10.670 -47.482 1.00 0.00 H new ATOM 0 HA TYR A 64 3.559 -9.768 -45.035 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.152 -8.255 -46.932 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.009 -9.090 -47.965 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.275 -7.141 -44.785 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.685 -8.557 -47.906 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.442 -5.716 -43.911 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.146 -7.130 -47.034 1.00 0.00 H new ATOM 0 HH TYR A 64 -1.788 -5.653 -45.488 1.00 0.00 H new ATOM 993 N LEU A 65 1.811 -11.606 -47.143 1.00 0.00 N ATOM 994 CA LEU A 65 0.585 -12.387 -47.267 1.00 0.00 C ATOM 995 C LEU A 65 0.515 -13.449 -46.168 1.00 0.00 C ATOM 996 O LEU A 65 1.537 -13.816 -45.588 1.00 0.00 O ATOM 997 CB LEU A 65 0.539 -13.064 -48.639 1.00 0.00 C ATOM 998 CG LEU A 65 0.354 -12.006 -49.729 1.00 0.00 C ATOM 999 CD1 LEU A 65 0.601 -12.639 -51.100 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -1.076 -11.457 -49.673 1.00 0.00 C ATOM 0 H LEU A 65 2.461 -11.706 -47.923 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.268 -11.716 -47.163 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.460 -13.621 -48.812 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.280 -13.783 -48.673 1.00 0.00 H new ATOM 0 HG LEU A 65 1.062 -11.193 -49.569 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.469 -11.886 -51.877 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.617 -13.030 -51.142 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.108 -13.452 -51.258 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.207 -10.703 -50.450 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.784 -12.270 -49.833 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.255 -11.007 -48.697 1.00 0.00 H new