USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 577 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.75 K(o=-1.8,f=-3.5!) USER MOD Set 2.1: A 48 CYS SG : rot 9:sc= -1.08! USER MOD Set 2.2: A 55 MET CE :methyl -132:sc= -0.483 (180deg=-1.59) USER MOD Set 3.1: A 38 THR OG1 : rot 140:sc= 0.654 USER MOD Set 3.2: A 42 LYS NZ :NH3+ 134:sc= 1.25 (180deg=0) USER MOD Set 4.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 51 GLN : amide:sc= -0.751 K(o=-0.75,f=-0.25) USER MOD Single : A 17 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.059) USER MOD Single : A 19 ASN : amide:sc= -0.0782 K(o=-0.078,f=-2.7!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.018 X(o=0.018,f=-0.48) USER MOD Single : A 31 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.15) USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= -0.0308 (180deg=-0.293) USER MOD Single : A 37 HIS : no HD1:sc= -0.277 X(o=-0.28,f=-0.0082) USER MOD Single : A 41 SER OG : rot 180:sc= -0.988 USER MOD Single : A 44 MET CE :methyl 168:sc= -0.926 (180deg=-1.34) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.01 X(o=-1,f=-0.71) USER MOD Single : A 68 ASN : amide:sc= 1.12 K(o=1.1,f=-0.39) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 72 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 75 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.26) USER MOD Single : A 78 MET CE :methyl -127:sc= -1.07 (180deg=-3.63!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.32) USER MOD Single : A 89 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -1.309 15.351 0.524 1.00 0.00 N ATOM 243 CA HIS A 17 -0.973 14.377 1.577 1.00 0.00 C ATOM 244 C HIS A 17 -2.196 13.591 1.915 1.00 0.00 C ATOM 245 O HIS A 17 -3.034 13.998 2.717 1.00 0.00 O ATOM 246 CB HIS A 17 -0.400 15.075 2.808 1.00 0.00 C ATOM 247 CG HIS A 17 0.136 14.195 3.898 1.00 0.00 C ATOM 248 ND1 HIS A 17 1.006 14.648 4.867 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.090 12.907 4.180 1.00 0.00 C ATOM 250 CE1 HIS A 17 1.291 13.670 5.693 1.00 0.00 C ATOM 251 NE2 HIS A 17 0.638 12.594 5.306 1.00 0.00 N ATOM 0 HA HIS A 17 -0.202 13.698 1.212 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.402 15.736 2.481 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.180 15.706 3.234 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.728 12.235 3.625 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.950 13.736 6.546 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.667 11.683 5.763 1.00 0.00 H new ATOM 260 N ILE A 18 -2.293 12.453 1.326 1.00 0.00 N ATOM 261 CA ILE A 18 -3.468 11.673 1.456 1.00 0.00 C ATOM 262 C ILE A 18 -3.178 10.304 2.042 1.00 0.00 C ATOM 263 O ILE A 18 -2.023 9.901 2.199 1.00 0.00 O ATOM 264 CB ILE A 18 -4.217 11.513 0.108 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.294 10.882 -0.942 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.739 12.859 -0.381 1.00 0.00 C ATOM 267 CD1 ILE A 18 -3.992 10.506 -2.235 1.00 0.00 C ATOM 0 H ILE A 18 -1.564 12.039 0.744 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.113 12.218 2.145 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.070 10.853 0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.487 11.580 -1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.835 9.990 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.261 12.724 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.426 13.272 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.903 13.544 -0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.270 10.067 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.781 9.783 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.428 11.398 -2.686 1.00 0.00 H new ATOM 279 N ASN A 19 -4.231 9.596 2.373 1.00 0.00 N ATOM 280 CA ASN A 19 -4.133 8.261 2.924 1.00 0.00 C ATOM 281 C ASN A 19 -4.523 7.254 1.869 1.00 0.00 C ATOM 282 O ASN A 19 -5.488 7.453 1.150 1.00 0.00 O ATOM 283 CB ASN A 19 -5.062 8.129 4.140 1.00 0.00 C ATOM 284 CG ASN A 19 -5.031 6.748 4.779 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.747 5.844 4.364 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.227 6.593 5.813 1.00 0.00 N ATOM 0 H ASN A 19 -5.189 9.931 2.268 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.107 8.074 3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.780 8.872 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.083 8.356 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.186 5.696 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.646 7.370 6.128 1.00 0.00 H new ATOM 293 N LEU A 20 -3.766 6.199 1.746 1.00 0.00 N ATOM 294 CA LEU A 20 -4.085 5.154 0.795 1.00 0.00 C ATOM 295 C LEU A 20 -4.110 3.829 1.495 1.00 0.00 C ATOM 296 O LEU A 20 -3.231 3.521 2.296 1.00 0.00 O ATOM 297 CB LEU A 20 -3.087 5.108 -0.379 1.00 0.00 C ATOM 298 CG LEU A 20 -3.157 6.261 -1.394 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.591 6.527 -1.821 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.515 7.512 -0.838 1.00 0.00 C ATOM 0 H LEU A 20 -2.920 6.034 2.291 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.067 5.376 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.078 5.079 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.238 4.172 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.596 5.962 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.611 7.347 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.005 5.631 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.187 6.794 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.578 8.312 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.035 7.815 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.468 7.312 -0.608 1.00 0.00 H new ATOM 312 N LYS A 21 -5.117 3.048 1.223 1.00 0.00 N ATOM 313 CA LYS A 21 -5.238 1.754 1.828 1.00 0.00 C ATOM 314 C LYS A 21 -5.216 0.687 0.774 1.00 0.00 C ATOM 315 O LYS A 21 -5.699 0.878 -0.329 1.00 0.00 O ATOM 316 CB LYS A 21 -6.516 1.658 2.640 1.00 0.00 C ATOM 317 CG LYS A 21 -6.617 2.696 3.739 1.00 0.00 C ATOM 318 CD LYS A 21 -7.845 2.460 4.608 1.00 0.00 C ATOM 319 CE LYS A 21 -9.131 2.594 3.805 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.331 2.229 4.596 1.00 0.00 N ATOM 0 H LYS A 21 -5.872 3.289 0.580 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.392 1.608 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.370 1.765 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.581 0.664 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.719 2.664 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.666 3.692 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.793 1.465 5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.853 3.175 5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.230 3.620 3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.073 1.957 2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.181 2.336 4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.251 1.241 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.403 2.853 5.425 1.00 0.00 H new ATOM 334 N VAL A 22 -4.663 -0.432 1.109 1.00 0.00 N ATOM 335 CA VAL A 22 -4.570 -1.535 0.191 1.00 0.00 C ATOM 336 C VAL A 22 -5.188 -2.776 0.807 1.00 0.00 C ATOM 337 O VAL A 22 -4.871 -3.148 1.930 1.00 0.00 O ATOM 338 CB VAL A 22 -3.101 -1.801 -0.202 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.253 -1.983 1.015 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.991 -2.997 -1.119 1.00 0.00 C ATOM 0 H VAL A 22 -4.260 -0.614 2.028 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.120 -1.279 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.735 -0.930 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.222 -2.169 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.296 -1.082 1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.622 -2.831 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.945 -3.161 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.382 -3.880 -0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.567 -2.814 -2.026 1.00 0.00 H new ATOM 350 N ALA A 23 -6.075 -3.408 0.079 1.00 0.00 N ATOM 351 CA ALA A 23 -6.758 -4.581 0.563 1.00 0.00 C ATOM 352 C ALA A 23 -6.459 -5.762 -0.340 1.00 0.00 C ATOM 353 O ALA A 23 -6.557 -5.670 -1.569 1.00 0.00 O ATOM 354 CB ALA A 23 -8.255 -4.330 0.634 1.00 0.00 C ATOM 0 H ALA A 23 -6.343 -3.124 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.401 -4.809 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.757 -5.225 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.453 -3.499 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.630 -4.085 -0.360 1.00 0.00 H new ATOM 360 N GLY A 24 -6.093 -6.864 0.252 1.00 0.00 N ATOM 361 CA GLY A 24 -5.782 -8.031 -0.517 1.00 0.00 C ATOM 362 C GLY A 24 -6.858 -9.068 -0.395 1.00 0.00 C ATOM 363 O GLY A 24 -7.637 -9.054 0.564 1.00 0.00 O ATOM 0 H GLY A 24 -6.003 -6.977 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.656 -7.756 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.833 -8.448 -0.181 1.00 0.00 H new ATOM 367 N GLN A 25 -6.930 -9.969 -1.364 1.00 0.00 N ATOM 368 CA GLN A 25 -7.903 -11.064 -1.346 1.00 0.00 C ATOM 369 C GLN A 25 -7.819 -11.912 -0.059 1.00 0.00 C ATOM 370 O GLN A 25 -8.752 -12.627 0.285 1.00 0.00 O ATOM 371 CB GLN A 25 -7.770 -11.946 -2.603 1.00 0.00 C ATOM 372 CG GLN A 25 -6.339 -12.133 -3.136 1.00 0.00 C ATOM 373 CD GLN A 25 -5.375 -12.702 -2.113 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.279 -13.915 -1.933 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.616 -11.829 -1.475 1.00 0.00 N ATOM 0 H GLN A 25 -6.322 -9.967 -2.183 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.891 -10.605 -1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.187 -12.928 -2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.380 -11.512 -3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.367 -12.794 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.961 -11.171 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.727 -10.831 -1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.919 -12.153 -0.805 1.00 0.00 H new ATOM 384 N ASP A 26 -6.697 -11.822 0.657 1.00 0.00 N ATOM 385 CA ASP A 26 -6.532 -12.542 1.920 1.00 0.00 C ATOM 386 C ASP A 26 -7.439 -11.957 2.991 1.00 0.00 C ATOM 387 O ASP A 26 -7.762 -12.613 3.972 1.00 0.00 O ATOM 388 CB ASP A 26 -5.075 -12.485 2.402 1.00 0.00 C ATOM 389 CG ASP A 26 -4.145 -13.357 1.592 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.048 -14.565 1.892 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.501 -12.843 0.661 1.00 0.00 O ATOM 0 H ASP A 26 -5.891 -11.259 0.385 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.805 -13.582 1.744 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.725 -11.454 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.033 -12.792 3.447 1.00 0.00 H new ATOM 396 N GLY A 27 -7.849 -10.715 2.802 1.00 0.00 N ATOM 397 CA GLY A 27 -8.721 -10.067 3.756 1.00 0.00 C ATOM 398 C GLY A 27 -7.978 -9.075 4.621 1.00 0.00 C ATOM 399 O GLY A 27 -8.550 -8.470 5.531 1.00 0.00 O ATOM 0 H GLY A 27 -7.592 -10.140 2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.523 -9.555 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.189 -10.821 4.389 1.00 0.00 H new ATOM 403 N SER A 28 -6.695 -8.906 4.351 1.00 0.00 N ATOM 404 CA SER A 28 -5.879 -7.972 5.097 1.00 0.00 C ATOM 405 C SER A 28 -5.849 -6.628 4.377 1.00 0.00 C ATOM 406 O SER A 28 -6.126 -6.547 3.172 1.00 0.00 O ATOM 407 CB SER A 28 -4.454 -8.524 5.269 1.00 0.00 C ATOM 408 OG SER A 28 -3.701 -7.736 6.182 1.00 0.00 O ATOM 0 H SER A 28 -6.197 -9.408 3.616 1.00 0.00 H new ATOM 0 HA SER A 28 -6.312 -7.833 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.501 -9.553 5.626 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.951 -8.545 4.302 1.00 0.00 H new ATOM 0 HG SER A 28 -2.800 -8.112 6.273 1.00 0.00 H new ATOM 414 N VAL A 29 -5.518 -5.577 5.106 1.00 0.00 N ATOM 415 CA VAL A 29 -5.463 -4.241 4.548 1.00 0.00 C ATOM 416 C VAL A 29 -4.403 -3.405 5.257 1.00 0.00 C ATOM 417 O VAL A 29 -4.279 -3.442 6.485 1.00 0.00 O ATOM 418 CB VAL A 29 -6.852 -3.535 4.619 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.443 -3.647 6.005 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.761 -2.072 4.194 1.00 0.00 C ATOM 0 H VAL A 29 -5.281 -5.627 6.097 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.189 -4.333 3.497 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.512 -4.045 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.411 -3.147 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.571 -4.698 6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.774 -3.176 6.725 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.748 -1.613 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.073 -1.544 4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.398 -2.013 3.168 1.00 0.00 H new ATOM 430 N VAL A 30 -3.630 -2.654 4.489 1.00 0.00 N ATOM 431 CA VAL A 30 -2.591 -1.818 5.049 1.00 0.00 C ATOM 432 C VAL A 30 -2.875 -0.362 4.711 1.00 0.00 C ATOM 433 O VAL A 30 -3.267 -0.047 3.589 1.00 0.00 O ATOM 434 CB VAL A 30 -1.192 -2.200 4.522 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.112 -1.594 5.401 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.036 -3.709 4.437 1.00 0.00 C ATOM 0 H VAL A 30 -3.706 -2.609 3.473 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.593 -1.967 6.129 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.084 -1.796 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.869 -1.873 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.208 -0.508 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.221 -1.966 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.041 -3.951 4.063 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.167 -4.145 5.427 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.787 -4.115 3.760 1.00 0.00 H new ATOM 446 N GLN A 31 -2.728 0.523 5.685 1.00 0.00 N ATOM 447 CA GLN A 31 -2.989 1.939 5.464 1.00 0.00 C ATOM 448 C GLN A 31 -1.683 2.727 5.409 1.00 0.00 C ATOM 449 O GLN A 31 -0.734 2.429 6.138 1.00 0.00 O ATOM 450 CB GLN A 31 -3.902 2.515 6.561 1.00 0.00 C ATOM 451 CG GLN A 31 -5.208 1.750 6.796 1.00 0.00 C ATOM 452 CD GLN A 31 -5.068 0.603 7.787 1.00 0.00 C ATOM 453 OE1 GLN A 31 -5.177 0.792 8.992 1.00 0.00 O ATOM 454 NE2 GLN A 31 -4.867 -0.593 7.280 1.00 0.00 N ATOM 0 H GLN A 31 -2.431 0.288 6.632 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.500 2.033 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.344 2.544 7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.146 3.546 6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.966 2.444 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.566 1.356 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.781 -0.711 6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.797 -1.403 7.896 1.00 0.00 H new ATOM 463 N PHE A 32 -1.630 3.732 4.543 1.00 0.00 N ATOM 464 CA PHE A 32 -0.423 4.548 4.373 1.00 0.00 C ATOM 465 C PHE A 32 -0.777 6.020 4.269 1.00 0.00 C ATOM 466 O PHE A 32 -1.914 6.382 3.966 1.00 0.00 O ATOM 467 CB PHE A 32 0.337 4.148 3.104 1.00 0.00 C ATOM 468 CG PHE A 32 0.513 2.676 2.921 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.495 1.923 2.355 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.685 2.043 3.304 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.348 0.578 2.174 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.837 0.682 3.124 1.00 0.00 C ATOM 473 CZ PHE A 32 0.815 -0.050 2.556 1.00 0.00 C ATOM 0 H PHE A 32 -2.409 4.006 3.944 1.00 0.00 H new ATOM 0 HA PHE A 32 0.205 4.377 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.192 4.547 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.320 4.618 3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.413 2.404 2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.485 2.618 3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.148 0.005 1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.751 0.193 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.928 -1.114 2.411 1.00 0.00 H new ATOM 509 N ILE A 34 0.837 9.231 2.319 1.00 0.00 N ATOM 510 CA ILE A 34 1.834 9.767 1.402 1.00 0.00 C ATOM 511 C ILE A 34 1.320 11.034 0.721 1.00 0.00 C ATOM 512 O ILE A 34 0.154 11.402 0.860 1.00 0.00 O ATOM 513 CB ILE A 34 2.216 8.725 0.305 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.041 8.500 -0.657 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.643 7.403 0.942 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.319 7.481 -1.747 1.00 0.00 C ATOM 0 HA ILE A 34 2.719 10.002 1.994 1.00 0.00 H new ATOM 0 HB ILE A 34 3.058 9.121 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.173 8.175 -0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.778 9.451 -1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.905 6.690 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.507 7.571 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.821 7.003 1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.440 7.380 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.166 7.813 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.551 6.517 -1.294 1.00 0.00 H new ATOM 528 N LYS A 35 2.190 11.709 0.000 1.00 0.00 N ATOM 529 CA LYS A 35 1.807 12.895 -0.752 1.00 0.00 C ATOM 530 C LYS A 35 1.215 12.477 -2.095 1.00 0.00 C ATOM 531 O LYS A 35 1.591 11.449 -2.650 1.00 0.00 O ATOM 532 CB LYS A 35 3.022 13.794 -0.976 1.00 0.00 C ATOM 533 CG LYS A 35 3.494 14.509 0.278 1.00 0.00 C ATOM 534 CD LYS A 35 4.776 15.290 0.035 1.00 0.00 C ATOM 535 CE LYS A 35 5.990 14.376 -0.008 1.00 0.00 C ATOM 536 NZ LYS A 35 6.282 13.784 1.319 1.00 0.00 N ATOM 0 H LYS A 35 3.175 11.458 -0.084 1.00 0.00 H new ATOM 0 HA LYS A 35 1.061 13.452 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.841 13.191 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.778 14.536 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.715 15.188 0.624 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.657 13.780 1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.697 15.836 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.906 16.031 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.819 13.579 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.857 14.939 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.258 13.426 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.169 14.510 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.623 13.000 1.502 1.00 0.00 H new ATOM 550 N ARG A 36 0.301 13.275 -2.635 1.00 0.00 N ATOM 551 CA ARG A 36 -0.341 12.935 -3.912 1.00 0.00 C ATOM 552 C ARG A 36 0.631 13.096 -5.074 1.00 0.00 C ATOM 553 O ARG A 36 0.366 12.664 -6.189 1.00 0.00 O ATOM 554 CB ARG A 36 -1.606 13.787 -4.146 1.00 0.00 C ATOM 555 CG ARG A 36 -1.360 15.288 -4.293 1.00 0.00 C ATOM 556 CD ARG A 36 -1.139 15.681 -5.748 1.00 0.00 C ATOM 557 NE ARG A 36 -0.998 17.129 -5.918 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.497 17.816 -6.952 1.00 0.00 C ATOM 559 NH1 ARG A 36 -2.169 17.189 -7.914 1.00 0.00 N ATOM 560 NH2 ARG A 36 -1.318 19.126 -7.020 1.00 0.00 N ATOM 0 H ARG A 36 -0.013 14.152 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.641 11.889 -3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.106 13.427 -5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.292 13.627 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.212 15.838 -3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.490 15.574 -3.702 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.244 15.185 -6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.977 15.327 -6.349 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.487 17.646 -5.203 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.306 16.179 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.547 17.718 -8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.801 19.609 -6.285 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.697 19.652 -7.807 1.00 0.00 H new ATOM 574 N HIS A 37 1.768 13.710 -4.801 1.00 0.00 N ATOM 575 CA HIS A 37 2.769 13.966 -5.818 1.00 0.00 C ATOM 576 C HIS A 37 3.866 12.904 -5.738 1.00 0.00 C ATOM 577 O HIS A 37 4.801 12.884 -6.536 1.00 0.00 O ATOM 578 CB HIS A 37 3.357 15.371 -5.604 1.00 0.00 C ATOM 579 CG HIS A 37 4.197 15.889 -6.737 1.00 0.00 C ATOM 580 ND1 HIS A 37 3.705 16.727 -7.705 1.00 0.00 N ATOM 581 CD2 HIS A 37 5.504 15.700 -7.037 1.00 0.00 C ATOM 582 CE1 HIS A 37 4.661 17.032 -8.554 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.766 16.421 -8.170 1.00 0.00 N ATOM 0 H HIS A 37 2.022 14.044 -3.871 1.00 0.00 H new ATOM 0 HA HIS A 37 2.315 13.919 -6.808 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.537 16.069 -5.431 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.963 15.360 -4.698 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.207 15.094 -6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.560 17.673 -9.418 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.669 16.477 -8.641 1.00 0.00 H new ATOM 592 N THR A 38 3.739 12.008 -4.776 1.00 0.00 N ATOM 593 CA THR A 38 4.717 10.967 -4.580 1.00 0.00 C ATOM 594 C THR A 38 4.224 9.656 -5.214 1.00 0.00 C ATOM 595 O THR A 38 3.018 9.412 -5.280 1.00 0.00 O ATOM 596 CB THR A 38 5.031 10.775 -3.059 1.00 0.00 C ATOM 597 OG1 THR A 38 6.449 10.735 -2.851 1.00 0.00 O ATOM 598 CG2 THR A 38 4.408 9.500 -2.507 1.00 0.00 C ATOM 0 H THR A 38 2.961 11.985 -4.117 1.00 0.00 H new ATOM 0 HA THR A 38 5.644 11.261 -5.072 1.00 0.00 H new ATOM 0 HB THR A 38 4.598 11.623 -2.529 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.674 11.231 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.650 9.405 -1.449 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.326 9.541 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.801 8.639 -3.048 1.00 0.00 H new ATOM 606 N PRO A 39 5.146 8.817 -5.715 1.00 0.00 N ATOM 607 CA PRO A 39 4.793 7.539 -6.343 1.00 0.00 C ATOM 608 C PRO A 39 4.164 6.555 -5.355 1.00 0.00 C ATOM 609 O PRO A 39 4.683 6.328 -4.253 1.00 0.00 O ATOM 610 CB PRO A 39 6.138 7.003 -6.847 1.00 0.00 C ATOM 611 CG PRO A 39 7.154 7.686 -6.003 1.00 0.00 C ATOM 612 CD PRO A 39 6.598 9.049 -5.719 1.00 0.00 C ATOM 0 HA PRO A 39 4.048 7.667 -7.128 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.198 5.920 -6.741 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.284 7.228 -7.903 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.330 7.135 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.111 7.754 -6.521 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.948 9.437 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.890 9.771 -6.481 1.00 0.00 H new ATOM 620 N LEU A 40 3.043 5.963 -5.749 1.00 0.00 N ATOM 621 CA LEU A 40 2.339 4.991 -4.913 1.00 0.00 C ATOM 622 C LEU A 40 3.115 3.681 -4.798 1.00 0.00 C ATOM 623 O LEU A 40 2.854 2.862 -3.917 1.00 0.00 O ATOM 624 CB LEU A 40 0.898 4.755 -5.420 1.00 0.00 C ATOM 625 CG LEU A 40 0.706 4.603 -6.940 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.360 3.338 -7.463 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.772 4.617 -7.288 1.00 0.00 C ATOM 0 H LEU A 40 2.597 6.139 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 40 2.269 5.412 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.513 3.856 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.280 5.587 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 40 1.193 5.450 -7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.203 3.266 -8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.429 3.368 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.918 2.471 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.893 4.509 -8.366 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.273 3.792 -6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.213 5.561 -6.966 1.00 0.00 H new ATOM 639 N SER A 41 4.068 3.488 -5.704 1.00 0.00 N ATOM 640 CA SER A 41 4.899 2.291 -5.740 1.00 0.00 C ATOM 641 C SER A 41 5.566 2.015 -4.395 1.00 0.00 C ATOM 642 O SER A 41 5.837 0.864 -4.045 1.00 0.00 O ATOM 643 CB SER A 41 5.954 2.440 -6.829 1.00 0.00 C ATOM 644 OG SER A 41 6.561 3.719 -6.770 1.00 0.00 O ATOM 0 H SER A 41 4.286 4.162 -6.438 1.00 0.00 H new ATOM 0 HA SER A 41 4.254 1.440 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.713 1.666 -6.714 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.496 2.295 -7.807 1.00 0.00 H new ATOM 0 HG SER A 41 7.236 3.794 -7.476 1.00 0.00 H new ATOM 650 N LYS A 42 5.807 3.069 -3.629 1.00 0.00 N ATOM 651 CA LYS A 42 6.446 2.938 -2.338 1.00 0.00 C ATOM 652 C LYS A 42 5.553 2.174 -1.363 1.00 0.00 C ATOM 653 O LYS A 42 6.017 1.292 -0.640 1.00 0.00 O ATOM 654 CB LYS A 42 6.827 4.312 -1.785 1.00 0.00 C ATOM 655 CG LYS A 42 7.877 5.021 -2.626 1.00 0.00 C ATOM 656 CD LYS A 42 8.341 6.325 -1.991 1.00 0.00 C ATOM 657 CE LYS A 42 7.255 7.387 -2.021 1.00 0.00 C ATOM 658 NZ LYS A 42 7.743 8.683 -1.493 1.00 0.00 N ATOM 0 H LYS A 42 5.566 4.027 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 42 7.363 2.362 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.934 4.935 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.201 4.197 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.734 4.362 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.469 5.226 -3.616 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.640 6.140 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.222 6.692 -2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.904 7.520 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.401 7.052 -1.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.447 9.451 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.344 8.844 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.781 8.665 -1.433 1.00 0.00 H new ATOM 672 N LEU A 43 4.257 2.487 -1.358 1.00 0.00 N ATOM 673 CA LEU A 43 3.323 1.786 -0.486 1.00 0.00 C ATOM 674 C LEU A 43 3.101 0.371 -1.000 1.00 0.00 C ATOM 675 O LEU A 43 2.924 -0.566 -0.226 1.00 0.00 O ATOM 676 CB LEU A 43 1.974 2.549 -0.360 1.00 0.00 C ATOM 677 CG LEU A 43 0.948 2.384 -1.502 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.121 1.108 -1.332 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.031 3.584 -1.570 1.00 0.00 C ATOM 0 H LEU A 43 3.837 3.212 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 43 3.758 1.737 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.496 2.235 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.197 3.611 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 43 1.507 2.307 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.591 1.024 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.783 0.242 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.419 1.148 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.685 3.449 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.505 3.687 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.621 4.483 -1.752 1.00 0.00 H new ATOM 691 N MET A 44 3.121 0.214 -2.325 1.00 0.00 N ATOM 692 CA MET A 44 2.900 -1.087 -2.936 1.00 0.00 C ATOM 693 C MET A 44 4.017 -2.048 -2.572 1.00 0.00 C ATOM 694 O MET A 44 3.769 -3.191 -2.179 1.00 0.00 O ATOM 695 CB MET A 44 2.760 -0.977 -4.462 1.00 0.00 C ATOM 696 CG MET A 44 1.609 -0.089 -4.916 1.00 0.00 C ATOM 697 SD MET A 44 1.110 -0.401 -6.626 1.00 0.00 S ATOM 698 CE MET A 44 2.636 -0.101 -7.508 1.00 0.00 C ATOM 0 H MET A 44 3.288 0.971 -2.988 1.00 0.00 H new ATOM 0 HA MET A 44 1.962 -1.479 -2.544 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.691 -0.587 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.621 -1.975 -4.877 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.754 -0.247 -4.259 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.901 0.956 -4.813 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.540 -0.457 -8.534 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.849 0.968 -7.514 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.451 -0.630 -7.015 1.00 0.00 H new ATOM 708 N LYS A 45 5.260 -1.589 -2.685 1.00 0.00 N ATOM 709 CA LYS A 45 6.395 -2.413 -2.320 1.00 0.00 C ATOM 710 C LYS A 45 6.411 -2.676 -0.829 1.00 0.00 C ATOM 711 O LYS A 45 6.746 -3.772 -0.386 1.00 0.00 O ATOM 712 CB LYS A 45 7.708 -1.788 -2.764 1.00 0.00 C ATOM 713 CG LYS A 45 7.903 -1.826 -4.262 1.00 0.00 C ATOM 714 CD LYS A 45 9.357 -1.645 -4.631 1.00 0.00 C ATOM 715 CE LYS A 45 9.575 -1.861 -6.115 1.00 0.00 C ATOM 716 NZ LYS A 45 11.002 -1.698 -6.491 1.00 0.00 N ATOM 0 H LYS A 45 5.500 -0.658 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 45 6.288 -3.365 -2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.744 -0.753 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.534 -2.311 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.542 -2.777 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.307 -1.042 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.683 -0.642 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.969 -2.347 -4.065 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.238 -2.860 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.967 -1.153 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.112 -1.853 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.316 -0.736 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.579 -2.390 -5.972 1.00 0.00 H new ATOM 730 N ALA A 46 6.005 -1.684 -0.048 1.00 0.00 N ATOM 731 CA ALA A 46 5.953 -1.834 1.393 1.00 0.00 C ATOM 732 C ALA A 46 4.947 -2.913 1.759 1.00 0.00 C ATOM 733 O ALA A 46 5.167 -3.706 2.671 1.00 0.00 O ATOM 734 CB ALA A 46 5.591 -0.515 2.056 1.00 0.00 C ATOM 0 H ALA A 46 5.708 -0.770 -0.391 1.00 0.00 H new ATOM 0 HA ALA A 46 6.937 -2.132 1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.557 -0.649 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.341 0.236 1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.615 -0.185 1.700 1.00 0.00 H new ATOM 740 N TYR A 47 3.841 -2.955 1.015 1.00 0.00 N ATOM 741 CA TYR A 47 2.802 -3.947 1.211 1.00 0.00 C ATOM 742 C TYR A 47 3.343 -5.351 0.993 1.00 0.00 C ATOM 743 O TYR A 47 3.267 -6.193 1.875 1.00 0.00 O ATOM 744 CB TYR A 47 1.640 -3.687 0.242 1.00 0.00 C ATOM 745 CG TYR A 47 0.539 -4.734 0.286 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.529 -4.600 1.149 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.570 -5.847 -0.546 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.541 -5.537 1.194 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.433 -6.794 -0.513 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.491 -6.634 0.358 1.00 0.00 C ATOM 751 OH TYR A 47 -2.495 -7.577 0.399 1.00 0.00 O ATOM 0 H TYR A 47 3.647 -2.297 0.260 1.00 0.00 H new ATOM 0 HA TYR A 47 2.446 -3.868 2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.207 -2.712 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.034 -3.634 -0.773 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.574 -3.743 1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.395 -5.973 -1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.367 -5.413 1.879 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.390 -7.654 -1.164 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.307 -8.283 -0.254 1.00 0.00 H new ATOM 761 N CYS A 48 3.913 -5.602 -0.177 1.00 0.00 N ATOM 762 CA CYS A 48 4.411 -6.930 -0.501 1.00 0.00 C ATOM 763 C CYS A 48 5.531 -7.351 0.444 1.00 0.00 C ATOM 764 O CYS A 48 5.589 -8.503 0.878 1.00 0.00 O ATOM 765 CB CYS A 48 4.857 -7.011 -1.971 1.00 0.00 C ATOM 766 SG CYS A 48 6.112 -5.804 -2.464 1.00 0.00 S ATOM 0 H CYS A 48 4.041 -4.908 -0.913 1.00 0.00 H new ATOM 0 HA CYS A 48 3.589 -7.633 -0.365 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.244 -8.012 -2.162 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.981 -6.881 -2.607 1.00 0.00 H new ATOM 0 HG CYS A 48 6.559 -5.188 -1.410 1.00 0.00 H new ATOM 772 N GLU A 49 6.395 -6.411 0.803 1.00 0.00 N ATOM 773 CA GLU A 49 7.503 -6.699 1.695 1.00 0.00 C ATOM 774 C GLU A 49 7.020 -7.069 3.100 1.00 0.00 C ATOM 775 O GLU A 49 7.585 -7.946 3.746 1.00 0.00 O ATOM 776 CB GLU A 49 8.475 -5.521 1.747 1.00 0.00 C ATOM 777 CG GLU A 49 9.256 -5.330 0.462 1.00 0.00 C ATOM 778 CD GLU A 49 10.269 -4.206 0.544 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.246 -4.334 1.314 1.00 0.00 O ATOM 780 OE2 GLU A 49 10.112 -3.205 -0.182 1.00 0.00 O ATOM 0 H GLU A 49 6.347 -5.442 0.488 1.00 0.00 H new ATOM 0 HA GLU A 49 8.030 -7.565 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.919 -4.609 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.174 -5.672 2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.771 -6.258 0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.560 -5.126 -0.352 1.00 0.00 H new ATOM 787 N ARG A 50 5.966 -6.418 3.575 1.00 0.00 N ATOM 788 CA ARG A 50 5.449 -6.707 4.908 1.00 0.00 C ATOM 789 C ARG A 50 4.513 -7.922 4.895 1.00 0.00 C ATOM 790 O ARG A 50 4.453 -8.683 5.856 1.00 0.00 O ATOM 791 CB ARG A 50 4.727 -5.484 5.502 1.00 0.00 C ATOM 792 CG ARG A 50 3.463 -5.076 4.758 1.00 0.00 C ATOM 793 CD ARG A 50 2.739 -3.946 5.462 1.00 0.00 C ATOM 794 NE ARG A 50 2.377 -4.318 6.829 1.00 0.00 N ATOM 795 CZ ARG A 50 2.180 -3.461 7.831 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.393 -2.160 7.662 1.00 0.00 N ATOM 797 NH2 ARG A 50 1.800 -3.916 9.012 1.00 0.00 N ATOM 0 H ARG A 50 5.457 -5.695 3.066 1.00 0.00 H new ATOM 0 HA ARG A 50 6.304 -6.943 5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.470 -5.698 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.417 -4.640 5.512 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.720 -4.768 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.798 -5.936 4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.373 -3.060 5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.840 -3.683 4.904 1.00 0.00 H new ATOM 0 HE ARG A 50 2.267 -5.311 7.032 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.710 -1.808 6.759 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.239 -1.513 8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.659 -4.917 9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.647 -3.267 9.784 1.00 0.00 H new ATOM 811 N GLN A 51 3.783 -8.101 3.804 1.00 0.00 N ATOM 812 CA GLN A 51 2.839 -9.208 3.682 1.00 0.00 C ATOM 813 C GLN A 51 3.530 -10.508 3.355 1.00 0.00 C ATOM 814 O GLN A 51 2.990 -11.588 3.587 1.00 0.00 O ATOM 815 CB GLN A 51 1.804 -8.898 2.615 1.00 0.00 C ATOM 816 CG GLN A 51 0.885 -7.776 2.987 1.00 0.00 C ATOM 817 CD GLN A 51 0.019 -8.115 4.184 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.089 -8.620 4.036 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.535 -7.866 5.375 1.00 0.00 N ATOM 0 H GLN A 51 3.825 -7.493 2.986 1.00 0.00 H new ATOM 0 HA GLN A 51 2.349 -9.324 4.649 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.315 -8.646 1.686 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.213 -9.793 2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.473 -6.885 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.247 -7.534 2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.461 -7.445 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.008 -8.095 6.217 1.00 0.00 H new ATOM 828 N GLY A 52 4.711 -10.415 2.807 1.00 0.00 N ATOM 829 CA GLY A 52 5.428 -11.599 2.436 1.00 0.00 C ATOM 830 C GLY A 52 5.047 -12.057 1.049 1.00 0.00 C ATOM 831 O GLY A 52 4.915 -13.256 0.785 1.00 0.00 O ATOM 0 H GLY A 52 5.192 -9.538 2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.500 -11.406 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.220 -12.393 3.154 1.00 0.00 H new ATOM 835 N LEU A 53 4.878 -11.099 0.152 1.00 0.00 N ATOM 836 CA LEU A 53 4.532 -11.375 -1.227 1.00 0.00 C ATOM 837 C LEU A 53 5.533 -10.693 -2.142 1.00 0.00 C ATOM 838 O LEU A 53 6.326 -9.867 -1.701 1.00 0.00 O ATOM 839 CB LEU A 53 3.121 -10.884 -1.568 1.00 0.00 C ATOM 840 CG LEU A 53 1.947 -11.714 -1.037 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.109 -13.190 -1.369 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.742 -11.504 0.444 1.00 0.00 C ATOM 0 H LEU A 53 4.978 -10.106 0.364 1.00 0.00 H new ATOM 0 HA LEU A 53 4.557 -12.455 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.016 -9.867 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.034 -10.830 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 53 1.049 -11.361 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.258 -13.747 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.158 -13.316 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.027 -13.566 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.901 -12.109 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.643 -11.800 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.534 -10.452 0.637 1.00 0.00 H new ATOM 854 N SER A 54 5.508 -11.033 -3.409 1.00 0.00 N ATOM 855 CA SER A 54 6.402 -10.431 -4.368 1.00 0.00 C ATOM 856 C SER A 54 5.614 -9.732 -5.474 1.00 0.00 C ATOM 857 O SER A 54 4.456 -10.061 -5.722 1.00 0.00 O ATOM 858 CB SER A 54 7.306 -11.507 -4.953 1.00 0.00 C ATOM 859 OG SER A 54 8.134 -12.074 -3.950 1.00 0.00 O ATOM 0 H SER A 54 4.873 -11.728 -3.801 1.00 0.00 H new ATOM 0 HA SER A 54 7.013 -9.680 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.699 -12.287 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.925 -11.078 -5.741 1.00 0.00 H new ATOM 0 HG SER A 54 8.705 -12.764 -4.348 1.00 0.00 H new ATOM 865 N MET A 55 6.244 -8.766 -6.145 1.00 0.00 N ATOM 866 CA MET A 55 5.598 -8.024 -7.241 1.00 0.00 C ATOM 867 C MET A 55 5.247 -8.940 -8.401 1.00 0.00 C ATOM 868 O MET A 55 4.334 -8.675 -9.168 1.00 0.00 O ATOM 869 CB MET A 55 6.494 -6.879 -7.720 1.00 0.00 C ATOM 870 CG MET A 55 6.425 -5.667 -6.827 1.00 0.00 C ATOM 871 SD MET A 55 4.770 -4.966 -6.790 1.00 0.00 S ATOM 872 CE MET A 55 4.915 -3.882 -5.393 1.00 0.00 C ATOM 0 H MET A 55 7.202 -8.475 -5.952 1.00 0.00 H new ATOM 0 HA MET A 55 4.670 -7.604 -6.852 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.525 -7.228 -7.771 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.203 -6.596 -8.732 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.727 -5.941 -5.816 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.132 -4.915 -7.178 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.063 -4.028 -4.729 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.836 -4.104 -4.854 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.935 -2.847 -5.736 1.00 0.00 H new ATOM 882 N ARG A 56 5.991 -10.017 -8.534 1.00 0.00 N ATOM 883 CA ARG A 56 5.738 -11.006 -9.570 1.00 0.00 C ATOM 884 C ARG A 56 4.692 -12.017 -9.099 1.00 0.00 C ATOM 885 O ARG A 56 4.162 -12.804 -9.879 1.00 0.00 O ATOM 886 CB ARG A 56 7.037 -11.729 -9.979 1.00 0.00 C ATOM 887 CG ARG A 56 7.856 -12.281 -8.813 1.00 0.00 C ATOM 888 CD ARG A 56 8.921 -11.294 -8.346 1.00 0.00 C ATOM 889 NE ARG A 56 9.903 -11.017 -9.390 1.00 0.00 N ATOM 890 CZ ARG A 56 10.830 -10.055 -9.324 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.904 -9.258 -8.261 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.676 -9.886 -10.329 1.00 0.00 N ATOM 0 H ARG A 56 6.785 -10.235 -7.932 1.00 0.00 H new ATOM 0 HA ARG A 56 5.353 -10.484 -10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.784 -12.551 -10.648 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.659 -11.036 -10.546 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.191 -12.517 -7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.333 -13.214 -9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.444 -10.363 -8.041 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.428 -11.695 -7.468 1.00 0.00 H new ATOM 0 HE ARG A 56 9.881 -11.598 -10.228 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.250 -9.378 -7.487 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.614 -8.527 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.619 -10.488 -11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.384 -9.153 -10.282 1.00 0.00 H new ATOM 906 N GLN A 57 4.412 -11.996 -7.806 1.00 0.00 N ATOM 907 CA GLN A 57 3.471 -12.921 -7.191 1.00 0.00 C ATOM 908 C GLN A 57 2.081 -12.309 -7.050 1.00 0.00 C ATOM 909 O GLN A 57 1.078 -13.022 -7.012 1.00 0.00 O ATOM 910 CB GLN A 57 3.997 -13.363 -5.820 1.00 0.00 C ATOM 911 CG GLN A 57 4.795 -14.660 -5.848 1.00 0.00 C ATOM 912 CD GLN A 57 6.014 -14.595 -6.751 1.00 0.00 C ATOM 913 OE1 GLN A 57 7.108 -14.264 -6.311 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.825 -14.886 -8.019 1.00 0.00 N ATOM 0 H GLN A 57 4.831 -11.336 -7.151 1.00 0.00 H new ATOM 0 HA GLN A 57 3.380 -13.788 -7.845 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.625 -12.571 -5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.153 -13.483 -5.141 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.114 -14.904 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.147 -15.470 -6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.898 -15.158 -8.347 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.605 -14.840 -8.675 1.00 0.00 H new ATOM 923 N ILE A 58 2.011 -10.992 -6.970 1.00 0.00 N ATOM 924 CA ILE A 58 0.732 -10.305 -6.812 1.00 0.00 C ATOM 925 C ILE A 58 0.647 -9.111 -7.740 1.00 0.00 C ATOM 926 O ILE A 58 1.601 -8.783 -8.425 1.00 0.00 O ATOM 927 CB ILE A 58 0.513 -9.812 -5.354 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.452 -8.637 -5.039 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.723 -10.951 -4.369 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.384 -8.157 -3.603 1.00 0.00 C ATOM 0 H ILE A 58 2.821 -10.374 -7.011 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.043 -11.030 -7.060 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.515 -9.464 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.476 -8.935 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.210 -7.805 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.566 -10.588 -3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.014 -11.751 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.740 -11.332 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.076 -7.327 -3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.370 -7.826 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.656 -8.973 -2.933 1.00 0.00 H new ATOM 942 N ARG A 59 -0.494 -8.452 -7.742 1.00 0.00 N ATOM 943 CA ARG A 59 -0.709 -7.276 -8.566 1.00 0.00 C ATOM 944 C ARG A 59 -1.742 -6.363 -7.950 1.00 0.00 C ATOM 945 O ARG A 59 -2.690 -6.815 -7.303 1.00 0.00 O ATOM 946 CB ARG A 59 -1.104 -7.647 -10.000 1.00 0.00 C ATOM 947 CG ARG A 59 0.080 -7.913 -10.925 1.00 0.00 C ATOM 948 CD ARG A 59 1.052 -6.739 -10.961 1.00 0.00 C ATOM 949 NE ARG A 59 2.171 -6.993 -11.871 1.00 0.00 N ATOM 950 CZ ARG A 59 3.388 -6.455 -11.747 1.00 0.00 C ATOM 951 NH1 ARG A 59 3.655 -5.616 -10.747 1.00 0.00 N ATOM 952 NH2 ARG A 59 4.344 -6.767 -12.622 1.00 0.00 N ATOM 0 H ARG A 59 -1.299 -8.715 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 59 0.240 -6.741 -8.614 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.736 -8.534 -9.973 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.705 -6.840 -10.420 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.605 -8.808 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.285 -8.113 -11.933 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.524 -5.838 -11.275 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.434 -6.551 -9.957 1.00 0.00 H new ATOM 0 HE ARG A 59 2.010 -7.625 -12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.929 -5.381 -10.071 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.586 -5.209 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.146 -7.415 -13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.274 -6.358 -12.529 1.00 0.00 H new ATOM 966 N PHE A 60 -1.553 -5.075 -8.152 1.00 0.00 N ATOM 967 CA PHE A 60 -2.420 -4.057 -7.595 1.00 0.00 C ATOM 968 C PHE A 60 -3.333 -3.488 -8.673 1.00 0.00 C ATOM 969 O PHE A 60 -2.930 -3.332 -9.830 1.00 0.00 O ATOM 970 CB PHE A 60 -1.569 -2.932 -6.995 1.00 0.00 C ATOM 971 CG PHE A 60 -0.674 -3.369 -5.867 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.452 -4.144 -6.109 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.956 -3.004 -4.569 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.269 -4.546 -5.074 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.142 -3.399 -3.528 1.00 0.00 C ATOM 976 CZ PHE A 60 0.972 -4.172 -3.781 1.00 0.00 C ATOM 0 H PHE A 60 -0.787 -4.702 -8.712 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.036 -4.507 -6.816 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.955 -2.497 -7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.230 -2.144 -6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.691 -4.436 -7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.827 -2.400 -4.363 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.140 -5.152 -5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.377 -3.103 -2.516 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.610 -4.484 -2.968 1.00 0.00 H new ATOM 986 N ARG A 61 -4.559 -3.184 -8.305 1.00 0.00 N ATOM 987 CA ARG A 61 -5.525 -2.628 -9.233 1.00 0.00 C ATOM 988 C ARG A 61 -6.408 -1.589 -8.542 1.00 0.00 C ATOM 989 O ARG A 61 -6.786 -1.745 -7.381 1.00 0.00 O ATOM 990 CB ARG A 61 -6.373 -3.762 -9.848 1.00 0.00 C ATOM 991 CG ARG A 61 -7.491 -3.301 -10.774 1.00 0.00 C ATOM 992 CD ARG A 61 -8.808 -3.154 -10.031 1.00 0.00 C ATOM 993 NE ARG A 61 -9.440 -4.444 -9.775 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.356 -4.659 -8.829 1.00 0.00 C ATOM 995 NH1 ARG A 61 -10.816 -3.652 -8.111 1.00 0.00 N ATOM 996 NH2 ARG A 61 -10.826 -5.880 -8.623 1.00 0.00 N ATOM 0 H ARG A 61 -4.915 -3.314 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.991 -2.120 -10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.713 -4.428 -10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.810 -4.348 -9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.219 -2.347 -11.226 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.609 -4.017 -11.587 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.635 -2.641 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.485 -2.528 -10.613 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.163 -5.234 -10.358 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.471 -2.707 -8.279 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.516 -3.819 -7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.488 -6.659 -9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.526 -6.042 -7.899 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.716 -0.521 -9.260 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.572 0.541 -8.761 1.00 0.00 C ATOM 1012 C PHE A 62 -8.368 1.115 -9.913 1.00 0.00 C ATOM 1013 O PHE A 62 -7.893 1.140 -11.034 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.742 1.638 -8.083 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.558 2.742 -7.460 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.031 2.619 -6.167 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.841 3.904 -8.165 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.771 3.633 -5.588 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.580 4.917 -7.593 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.046 4.784 -6.304 1.00 0.00 C ATOM 0 H PHE A 62 -6.377 -0.367 -10.210 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.253 0.132 -8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.121 1.182 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.067 2.073 -8.820 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.820 1.722 -5.604 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.477 4.016 -9.176 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.134 3.526 -4.577 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.793 5.814 -8.155 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.625 5.577 -5.853 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.587 1.559 -9.637 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.500 2.112 -10.666 1.00 0.00 C ATOM 1032 C ASP A 63 -10.765 1.087 -11.757 1.00 0.00 C ATOM 1033 O ASP A 63 -11.153 1.417 -12.880 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.874 3.356 -11.286 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.863 4.214 -12.057 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.909 4.588 -11.485 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.584 4.541 -13.233 1.00 0.00 O ATOM 0 H ASP A 63 -9.984 1.552 -8.698 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.446 2.369 -10.188 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.422 3.957 -10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.069 3.052 -11.956 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.588 -0.163 -11.419 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.790 -1.215 -12.364 1.00 0.00 C ATOM 1044 C GLY A 64 -9.615 -1.388 -13.316 1.00 0.00 C ATOM 1045 O GLY A 64 -9.637 -2.247 -14.194 1.00 0.00 O ATOM 0 H GLY A 64 -10.303 -0.473 -10.490 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.959 -2.150 -11.829 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.692 -1.010 -12.941 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.575 -0.588 -13.139 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.401 -0.669 -13.990 1.00 0.00 C ATOM 1051 C GLN A 65 -6.170 -1.074 -13.173 1.00 0.00 C ATOM 1052 O GLN A 65 -6.062 -0.741 -11.989 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.164 0.668 -14.706 1.00 0.00 C ATOM 1054 CG GLN A 65 -7.106 1.862 -13.775 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.904 3.170 -14.502 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -7.320 3.331 -15.647 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.269 4.112 -13.841 1.00 0.00 N ATOM 0 H GLN A 65 -8.521 0.126 -12.412 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.574 -1.435 -14.745 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.230 0.609 -15.264 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.960 0.825 -15.433 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.030 1.912 -13.200 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.294 1.720 -13.062 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.940 3.936 -12.892 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.105 5.019 -14.277 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.238 -1.813 -13.786 1.00 0.00 N ATOM 1067 CA PRO A 66 -4.025 -2.274 -13.108 1.00 0.00 C ATOM 1068 C PRO A 66 -3.094 -1.117 -12.763 1.00 0.00 C ATOM 1069 O PRO A 66 -2.938 -0.171 -13.544 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.369 -3.205 -14.135 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.902 -2.755 -15.453 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.290 -2.249 -15.192 1.00 0.00 C ATOM 0 HA PRO A 66 -4.245 -2.763 -12.159 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.282 -3.128 -14.101 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.621 -4.248 -13.942 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.276 -1.971 -15.879 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.915 -3.577 -16.169 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.549 -1.426 -15.858 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.037 -3.029 -15.343 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.476 -1.181 -11.600 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.581 -0.127 -11.162 1.00 0.00 C ATOM 1082 C ILE A 67 -0.145 -0.520 -11.430 1.00 0.00 C ATOM 1083 O ILE A 67 0.235 -1.681 -11.276 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.731 0.156 -9.650 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.199 0.292 -9.256 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.967 1.414 -9.267 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.400 0.499 -7.773 1.00 0.00 C ATOM 0 H ILE A 67 -2.577 -1.952 -10.940 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.844 0.771 -11.720 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.312 -0.692 -9.108 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.637 1.131 -9.796 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.737 -0.603 -9.568 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.083 1.599 -8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.090 1.283 -9.500 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.359 2.263 -9.827 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.465 0.588 -7.559 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.990 -0.352 -7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.890 1.410 -7.460 1.00 0.00 H new ATOM 1099 N ASN A 68 0.656 0.435 -11.846 1.00 0.00 N ATOM 1100 CA ASN A 68 2.055 0.186 -12.074 1.00 0.00 C ATOM 1101 C ASN A 68 2.848 0.942 -11.054 1.00 0.00 C ATOM 1102 O ASN A 68 2.313 1.780 -10.330 1.00 0.00 O ATOM 1103 CB ASN A 68 2.510 0.644 -13.464 1.00 0.00 C ATOM 1104 CG ASN A 68 1.490 0.430 -14.543 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.391 -0.650 -15.125 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.755 1.470 -14.848 1.00 0.00 N ATOM 0 H ASN A 68 0.358 1.393 -12.033 1.00 0.00 H new ATOM 0 HA ASN A 68 2.215 -0.890 -12.000 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.761 1.704 -13.421 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.422 0.110 -13.730 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.065 1.405 -15.596 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.873 2.345 -14.337 1.00 0.00 H new ATOM 1113 N GLU A 69 4.121 0.678 -11.000 1.00 0.00 N ATOM 1114 CA GLU A 69 5.001 1.372 -10.092 1.00 0.00 C ATOM 1115 C GLU A 69 5.251 2.798 -10.588 1.00 0.00 C ATOM 1116 O GLU A 69 5.714 3.669 -9.845 1.00 0.00 O ATOM 1117 CB GLU A 69 6.319 0.600 -9.974 1.00 0.00 C ATOM 1118 CG GLU A 69 7.003 0.356 -11.312 1.00 0.00 C ATOM 1119 CD GLU A 69 8.089 -0.687 -11.230 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.241 -0.327 -10.934 1.00 0.00 O ATOM 1121 OE2 GLU A 69 7.791 -1.877 -11.468 1.00 0.00 O ATOM 0 H GLU A 69 4.582 -0.022 -11.581 1.00 0.00 H new ATOM 0 HA GLU A 69 4.537 1.432 -9.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.997 1.153 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.127 -0.359 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.259 0.042 -12.044 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.430 1.292 -11.673 1.00 0.00 H new ATOM 1128 N THR A 70 4.947 3.021 -11.854 1.00 0.00 N ATOM 1129 CA THR A 70 5.166 4.286 -12.494 1.00 0.00 C ATOM 1130 C THR A 70 4.055 5.270 -12.233 1.00 0.00 C ATOM 1131 O THR A 70 4.244 6.484 -12.350 1.00 0.00 O ATOM 1132 CB THR A 70 5.325 4.072 -13.996 1.00 0.00 C ATOM 1133 OG1 THR A 70 4.276 3.208 -14.460 1.00 0.00 O ATOM 1134 CG2 THR A 70 6.665 3.428 -14.289 1.00 0.00 C ATOM 0 H THR A 70 4.537 2.315 -12.465 1.00 0.00 H new ATOM 0 HA THR A 70 6.075 4.713 -12.071 1.00 0.00 H new ATOM 0 HB THR A 70 5.271 5.035 -14.504 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.371 3.067 -15.425 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.770 3.279 -15.364 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.466 4.076 -13.933 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.725 2.465 -13.782 1.00 0.00 H new ATOM 1142 N ASP A 71 2.892 4.773 -11.875 1.00 0.00 N ATOM 1143 CA ASP A 71 1.753 5.617 -11.641 1.00 0.00 C ATOM 1144 C ASP A 71 1.803 6.325 -10.290 1.00 0.00 C ATOM 1145 O ASP A 71 2.446 5.864 -9.340 1.00 0.00 O ATOM 1146 CB ASP A 71 0.491 4.782 -11.731 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.059 4.705 -13.131 1.00 0.00 C ATOM 1148 OD1 ASP A 71 0.441 3.882 -13.921 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.995 5.461 -13.449 1.00 0.00 O ATOM 0 H ASP A 71 2.715 3.778 -11.740 1.00 0.00 H new ATOM 0 HA ASP A 71 1.761 6.394 -12.405 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.701 3.774 -11.372 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.266 5.204 -11.071 1.00 0.00 H new ATOM 1154 N THR A 72 1.135 7.462 -10.219 1.00 0.00 N ATOM 1155 CA THR A 72 0.998 8.214 -8.989 1.00 0.00 C ATOM 1156 C THR A 72 -0.461 8.252 -8.566 1.00 0.00 C ATOM 1157 O THR A 72 -1.354 8.148 -9.405 1.00 0.00 O ATOM 1158 CB THR A 72 1.507 9.660 -9.147 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.283 10.117 -10.482 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.975 9.767 -8.793 1.00 0.00 C ATOM 0 H THR A 72 0.670 7.891 -11.019 1.00 0.00 H new ATOM 0 HA THR A 72 1.601 7.714 -8.231 1.00 0.00 H new ATOM 0 HB THR A 72 0.950 10.293 -8.456 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.608 11.037 -10.572 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.304 10.799 -8.914 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.123 9.458 -7.758 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.556 9.121 -9.451 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.724 8.415 -7.262 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.091 8.473 -6.722 1.00 0.00 C ATOM 1170 C PRO A 73 -2.907 9.595 -7.357 1.00 0.00 C ATOM 1171 O PRO A 73 -4.131 9.505 -7.500 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.872 8.760 -5.223 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.464 9.247 -5.122 1.00 0.00 C ATOM 1174 CD PRO A 73 0.284 8.557 -6.209 1.00 0.00 C ATOM 0 HA PRO A 73 -2.648 7.557 -6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.575 9.509 -4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.023 7.862 -4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.415 10.329 -5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.039 9.014 -4.146 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.140 9.143 -6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.668 7.590 -5.884 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.222 10.646 -7.765 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.867 11.799 -8.352 1.00 0.00 C ATOM 1184 C ALA A 74 -3.347 11.514 -9.773 1.00 0.00 C ATOM 1185 O ALA A 74 -4.228 12.199 -10.291 1.00 0.00 O ATOM 1186 CB ALA A 74 -1.921 12.979 -8.331 1.00 0.00 C ATOM 0 H ALA A 74 -1.207 10.722 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.749 12.037 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.411 13.846 -8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.645 13.205 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.025 12.737 -8.902 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.779 10.493 -10.401 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.162 10.119 -11.760 1.00 0.00 C ATOM 1194 C GLN A 75 -4.565 9.533 -11.793 1.00 0.00 C ATOM 1195 O GLN A 75 -5.334 9.764 -12.726 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.173 9.107 -12.336 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.847 9.698 -12.787 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.013 10.799 -13.816 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -1.085 10.538 -15.017 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.051 12.038 -13.360 1.00 0.00 N ATOM 0 H GLN A 75 -2.051 9.907 -9.992 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.147 11.024 -12.368 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.977 8.343 -11.584 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.639 8.607 -13.185 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.318 10.094 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.226 8.906 -13.206 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.989 12.215 -12.357 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.143 12.818 -14.011 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.906 8.773 -10.766 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.205 8.135 -10.696 1.00 0.00 C ATOM 1211 C LEU A 76 -7.209 9.060 -10.026 1.00 0.00 C ATOM 1212 O LEU A 76 -8.393 8.728 -9.898 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.105 6.807 -9.940 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.867 5.959 -10.263 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.780 6.192 -9.229 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.220 4.486 -10.345 1.00 0.00 C ATOM 0 H LEU A 76 -4.298 8.584 -9.969 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.550 7.928 -11.709 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.113 7.016 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.996 6.217 -10.156 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.491 6.268 -11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.909 5.583 -9.473 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.498 7.245 -9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.151 5.915 -8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.324 3.909 -10.575 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.629 4.156 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.961 4.333 -11.129 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.719 10.236 -9.595 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.540 11.256 -8.940 1.00 0.00 C ATOM 1230 C GLU A 77 -8.287 10.673 -7.752 1.00 0.00 C ATOM 1231 O GLU A 77 -9.432 11.028 -7.468 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.497 11.893 -9.947 1.00 0.00 C ATOM 1233 CG GLU A 77 -7.772 12.579 -11.092 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.702 13.269 -12.051 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.178 14.371 -11.729 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -8.949 12.725 -13.145 1.00 0.00 O ATOM 0 H GLU A 77 -5.739 10.501 -9.694 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.884 12.038 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.158 11.126 -10.349 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.127 12.620 -9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.072 13.309 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.182 11.840 -11.635 1.00 0.00 H new ATOM 1243 N MET A 78 -7.610 9.791 -7.041 1.00 0.00 N ATOM 1244 CA MET A 78 -8.176 9.114 -5.896 1.00 0.00 C ATOM 1245 C MET A 78 -8.187 10.036 -4.676 1.00 0.00 C ATOM 1246 O MET A 78 -7.581 11.111 -4.688 1.00 0.00 O ATOM 1247 CB MET A 78 -7.381 7.836 -5.615 1.00 0.00 C ATOM 1248 CG MET A 78 -5.959 8.083 -5.151 1.00 0.00 C ATOM 1249 SD MET A 78 -4.809 6.797 -5.690 1.00 0.00 S ATOM 1250 CE MET A 78 -5.640 5.326 -5.119 1.00 0.00 C ATOM 0 H MET A 78 -6.647 9.525 -7.245 1.00 0.00 H new ATOM 0 HA MET A 78 -9.209 8.843 -6.112 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.904 7.255 -4.856 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.357 7.229 -6.520 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.621 9.047 -5.530 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.943 8.145 -4.063 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.955 4.733 -4.513 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.505 5.607 -4.518 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.969 4.738 -5.976 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.866 9.621 -3.631 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.995 10.424 -2.426 1.00 0.00 C ATOM 1262 C GLU A 79 -8.363 9.699 -1.255 1.00 0.00 C ATOM 1263 O GLU A 79 -8.000 8.525 -1.362 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.471 10.665 -2.137 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.229 9.385 -1.835 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.722 9.559 -1.873 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.227 10.220 -2.802 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.406 9.037 -0.973 1.00 0.00 O ATOM 0 H GLU A 79 -9.345 8.721 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.489 11.378 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.564 11.345 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.928 11.159 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.940 8.620 -2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.937 9.021 -0.850 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.199 10.385 -0.134 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.674 9.751 1.055 1.00 0.00 C ATOM 1277 C ASP A 80 -8.594 8.639 1.546 1.00 0.00 C ATOM 1278 O ASP A 80 -9.826 8.733 1.467 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.425 10.776 2.176 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.690 11.442 2.684 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.344 12.159 1.904 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.020 11.269 3.876 1.00 0.00 O ATOM 0 H ASP A 80 -8.422 11.375 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.717 9.305 0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.928 10.278 3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.743 11.543 1.810 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.966 7.579 2.032 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.624 6.390 2.558 1.00 0.00 C ATOM 1289 C GLU A 81 -9.197 5.516 1.446 1.00 0.00 C ATOM 1290 O GLU A 81 -10.031 4.646 1.690 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.681 6.743 3.613 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.092 7.434 4.836 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.074 7.565 5.978 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -10.372 6.546 6.632 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.540 8.697 6.248 1.00 0.00 O ATOM 0 H GLU A 81 -6.949 7.520 2.073 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.858 5.799 3.060 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.433 7.391 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.191 5.833 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.221 6.874 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.742 8.426 4.551 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.740 5.743 0.211 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.163 4.910 -0.919 1.00 0.00 C ATOM 1304 C ASP A 82 -8.574 3.514 -0.794 1.00 0.00 C ATOM 1305 O ASP A 82 -7.534 3.322 -0.157 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.776 5.537 -2.264 1.00 0.00 C ATOM 1307 CG ASP A 82 -9.990 5.998 -3.056 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.014 5.275 -3.060 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -9.926 7.076 -3.688 1.00 0.00 O ATOM 0 H ASP A 82 -8.085 6.487 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.250 4.841 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.115 6.386 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.215 4.811 -2.853 1.00 0.00 H new ATOM 1314 N THR A 83 -9.218 2.535 -1.403 1.00 0.00 N ATOM 1315 CA THR A 83 -8.795 1.153 -1.268 1.00 0.00 C ATOM 1316 C THR A 83 -8.215 0.580 -2.571 1.00 0.00 C ATOM 1317 O THR A 83 -8.791 0.717 -3.651 1.00 0.00 O ATOM 1318 CB THR A 83 -9.966 0.272 -0.783 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.464 0.785 0.459 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.526 -1.171 -0.587 1.00 0.00 C ATOM 0 H THR A 83 -10.036 2.671 -1.996 1.00 0.00 H new ATOM 0 HA THR A 83 -7.997 1.143 -0.525 1.00 0.00 H new ATOM 0 HB THR A 83 -10.747 0.294 -1.543 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.209 0.228 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.373 -1.766 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.159 -1.571 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.730 -1.211 0.157 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.069 -0.061 -2.445 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.397 -0.710 -3.553 1.00 0.00 C ATOM 1330 C ILE A 84 -6.753 -2.191 -3.547 1.00 0.00 C ATOM 1331 O ILE A 84 -6.869 -2.798 -2.484 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.858 -0.580 -3.428 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.429 0.889 -3.294 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.161 -1.240 -4.607 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.751 1.739 -4.496 1.00 0.00 C ATOM 0 H ILE A 84 -6.572 -0.146 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.719 -0.230 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.556 -1.099 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.915 1.319 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.355 0.927 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.082 -1.136 -4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.422 -2.298 -4.638 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.479 -0.760 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.415 2.761 -4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.243 1.337 -5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.828 1.735 -4.667 1.00 0.00 H new ATOM 1347 N ASP A 85 -6.937 -2.772 -4.711 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.264 -4.187 -4.810 1.00 0.00 C ATOM 1349 C ASP A 85 -6.053 -4.994 -5.236 1.00 0.00 C ATOM 1350 O ASP A 85 -5.439 -4.717 -6.261 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.410 -4.409 -5.793 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.755 -4.008 -5.233 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.084 -2.809 -5.257 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -10.504 -4.903 -4.777 1.00 0.00 O ATOM 0 H ASP A 85 -6.867 -2.290 -5.607 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.578 -4.526 -3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.217 -3.840 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.440 -5.461 -6.076 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.699 -5.983 -4.440 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.569 -6.851 -4.748 1.00 0.00 C ATOM 1361 C VAL A 86 -5.028 -8.285 -4.991 1.00 0.00 C ATOM 1362 O VAL A 86 -5.835 -8.837 -4.235 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.518 -6.839 -3.618 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.360 -7.778 -3.932 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.009 -5.439 -3.396 1.00 0.00 C ATOM 0 H VAL A 86 -6.178 -6.210 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.111 -6.460 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.999 -7.191 -2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.636 -7.748 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.736 -8.795 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.878 -7.464 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.268 -5.444 -2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.551 -5.069 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.839 -4.790 -3.118 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.482 -8.897 -6.024 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.820 -10.258 -6.397 1.00 0.00 C ATOM 1377 C PHE A 87 -3.553 -11.034 -6.732 1.00 0.00 C ATOM 1378 O PHE A 87 -2.539 -10.446 -7.129 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.816 -10.279 -7.568 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.500 -9.302 -8.668 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.977 -8.004 -8.610 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.736 -9.681 -9.755 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.698 -7.104 -9.611 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.452 -8.783 -10.766 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.934 -7.493 -10.694 1.00 0.00 C ATOM 0 H PHE A 87 -3.788 -8.462 -6.632 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.307 -10.742 -5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.844 -11.284 -7.988 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.814 -10.066 -7.185 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.577 -7.694 -7.767 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.357 -10.690 -9.815 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.076 -6.094 -9.551 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.854 -9.091 -11.611 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.715 -6.788 -11.483 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.590 -12.343 -6.554 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.419 -13.183 -6.769 1.00 0.00 C ATOM 1397 C GLN A 88 -2.185 -13.494 -8.249 1.00 0.00 C ATOM 1398 O GLN A 88 -2.977 -14.181 -8.891 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.565 -14.491 -5.997 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.277 -15.286 -5.890 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.565 -15.083 -4.564 1.00 0.00 C ATOM 1402 OE1 GLN A 88 0.139 -15.970 -4.094 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -0.752 -13.928 -3.951 1.00 0.00 N ATOM 0 H GLN A 88 -4.423 -12.852 -6.259 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.556 -12.624 -6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.930 -14.271 -4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.322 -15.107 -6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.498 -16.345 -6.019 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.610 -14.998 -6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.346 -13.215 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.303 -13.749 -3.053 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.091 -12.986 -8.780 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.692 -13.256 -10.160 1.00 0.00 C ATOM 1414 C GLN A 89 0.294 -14.411 -10.234 1.00 0.00 C ATOM 1415 O GLN A 89 1.034 -14.558 -11.202 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.083 -12.017 -10.801 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.099 -10.977 -11.214 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.152 -11.535 -12.144 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.974 -11.563 -13.358 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -3.259 -11.958 -11.581 1.00 0.00 N ATOM 0 H GLN A 89 -0.450 -12.375 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.591 -13.533 -10.710 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.620 -11.566 -10.100 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.490 -12.318 -11.678 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.582 -10.572 -10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.588 -10.149 -11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.364 -11.916 -10.567 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.015 -12.329 -12.157 1.00 0.00 H new