USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=20 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= -0.918 K(o=-0.92,f=-2!) USER MOD Set 2.1: A 48 CYS SG : rot 12:sc= -0.0289 USER MOD Set 2.2: A 55 MET CE :methyl -127:sc= -1.27 (180deg=-2.51!) USER MOD Set 3.1: A 28 SER OG : rot 136:sc= 0.68 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.0593 K(o=0.62,f=-2.6!) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.244 F(o=-1,f=-0.24) USER MOD Single : A 19 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.3) USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 1.21 (180deg=1.06) USER MOD Single : A 25 GLN : amide:sc= 0.061 X(o=0.061,f=-0.24) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.085 F(o=-1,f=-0.085) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=-0.076) USER MOD Single : A 38 THR OG1 : rot -130:sc= -2.64! USER MOD Single : A 41 SER OG : rot -134:sc= -0.888 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= -0.0473 (180deg=-0.28) USER MOD Single : A 44 MET CE :methyl 168:sc= -1.25 (180deg=-1.59) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.09) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.013 USER MOD Single : A 65 GLN :FLIP amide:sc= -0.315 F(o=-2!,f=-0.31) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.0104 F(o=-1.6!,f=-0.01) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0276 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.31) USER MOD Single : A 78 MET CE :methyl -119:sc= -0.613 (180deg=-1.93) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0868 F(o=-1.5,f=-0.087) USER MOD Single : A 89 GLN : amide:sc= -0.566 X(o=-0.57,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -0.632 15.444 1.153 1.00 0.00 N ATOM 243 CA HIS A 17 -0.581 14.062 1.589 1.00 0.00 C ATOM 244 C HIS A 17 -1.960 13.507 1.915 1.00 0.00 C ATOM 245 O HIS A 17 -2.797 14.160 2.535 1.00 0.00 O ATOM 246 CB HIS A 17 0.493 13.793 2.701 1.00 0.00 C ATOM 247 CG HIS A 17 0.038 13.927 4.132 1.00 0.00 C ATOM 248 ND1 HIS A 17 -0.948 13.309 4.800 1.00 0.00 N flip ATOM 249 CD2 HIS A 17 0.651 14.759 5.044 1.00 0.00 C flip ATOM 250 CE1 HIS A 17 -0.924 13.769 6.091 1.00 0.00 C flip ATOM 251 NE2 HIS A 17 0.053 14.645 6.209 1.00 0.00 N flip ATOM 0 HA HIS A 17 -0.227 13.488 0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.882 12.784 2.561 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.325 14.480 2.543 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.491 15.404 4.834 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.595 13.464 6.881 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.303 15.149 7.060 1.00 0.00 H new ATOM 260 N ILE A 18 -2.186 12.296 1.475 1.00 0.00 N ATOM 261 CA ILE A 18 -3.455 11.629 1.649 1.00 0.00 C ATOM 262 C ILE A 18 -3.239 10.225 2.181 1.00 0.00 C ATOM 263 O ILE A 18 -2.103 9.746 2.269 1.00 0.00 O ATOM 264 CB ILE A 18 -4.261 11.558 0.321 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.437 10.878 -0.774 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.691 12.952 -0.122 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.215 10.591 -2.044 1.00 0.00 C ATOM 0 H ILE A 18 -1.489 11.738 0.981 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.032 12.214 2.365 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.157 10.962 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.584 11.511 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.038 9.941 -0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.254 12.881 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.319 13.401 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.809 13.573 -0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.561 10.109 -2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.053 9.932 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.591 11.526 -2.459 1.00 0.00 H new ATOM 279 N ASN A 19 -4.312 9.571 2.557 1.00 0.00 N ATOM 280 CA ASN A 19 -4.234 8.215 3.064 1.00 0.00 C ATOM 281 C ASN A 19 -4.662 7.238 2.001 1.00 0.00 C ATOM 282 O ASN A 19 -5.720 7.378 1.412 1.00 0.00 O ATOM 283 CB ASN A 19 -5.117 8.049 4.305 1.00 0.00 C ATOM 284 CG ASN A 19 -5.144 6.620 4.826 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.967 5.814 4.409 1.00 0.00 O ATOM 286 ND2 ASN A 19 -4.253 6.303 5.748 1.00 0.00 N ATOM 0 H ASN A 19 -5.256 9.956 2.522 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.199 8.013 3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.756 8.711 5.092 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.133 8.362 4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.235 5.360 6.137 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.583 7.001 6.071 1.00 0.00 H new ATOM 293 N LEU A 20 -3.834 6.270 1.736 1.00 0.00 N ATOM 294 CA LEU A 20 -4.154 5.246 0.765 1.00 0.00 C ATOM 295 C LEU A 20 -4.173 3.916 1.464 1.00 0.00 C ATOM 296 O LEU A 20 -3.358 3.666 2.364 1.00 0.00 O ATOM 297 CB LEU A 20 -3.136 5.222 -0.398 1.00 0.00 C ATOM 298 CG LEU A 20 -3.048 6.485 -1.280 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.420 6.917 -1.766 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.373 7.609 -0.538 1.00 0.00 C ATOM 0 H LEU A 20 -2.922 6.162 2.180 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.131 5.463 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.148 5.032 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.377 4.376 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.446 6.236 -2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.323 7.809 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.867 6.115 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.057 7.137 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.322 8.489 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.944 7.847 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.364 7.306 -0.257 1.00 0.00 H new ATOM 312 N LYS A 21 -5.093 3.063 1.098 1.00 0.00 N ATOM 313 CA LYS A 21 -5.198 1.777 1.733 1.00 0.00 C ATOM 314 C LYS A 21 -5.233 0.679 0.711 1.00 0.00 C ATOM 315 O LYS A 21 -5.854 0.792 -0.327 1.00 0.00 O ATOM 316 CB LYS A 21 -6.424 1.712 2.643 1.00 0.00 C ATOM 317 CG LYS A 21 -6.417 2.770 3.730 1.00 0.00 C ATOM 318 CD LYS A 21 -7.604 2.632 4.669 1.00 0.00 C ATOM 319 CE LYS A 21 -8.920 2.779 3.931 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.061 2.918 4.866 1.00 0.00 N ATOM 0 H LYS A 21 -5.780 3.236 0.364 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.313 1.636 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.324 1.827 2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.474 0.726 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.492 2.695 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.430 3.759 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.569 1.660 5.161 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.539 3.388 5.452 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.876 3.651 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.077 1.910 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.943 2.663 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.921 2.287 5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.121 3.902 5.197 1.00 0.00 H new ATOM 334 N VAL A 22 -4.583 -0.394 1.017 1.00 0.00 N ATOM 335 CA VAL A 22 -4.487 -1.501 0.108 1.00 0.00 C ATOM 336 C VAL A 22 -5.067 -2.748 0.738 1.00 0.00 C ATOM 337 O VAL A 22 -4.701 -3.118 1.845 1.00 0.00 O ATOM 338 CB VAL A 22 -3.020 -1.738 -0.305 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.144 -1.858 0.905 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.891 -2.960 -1.185 1.00 0.00 C ATOM 0 H VAL A 22 -4.100 -0.534 1.905 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.061 -1.264 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.690 -0.875 -0.884 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.113 -2.025 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.202 -0.939 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.479 -2.697 1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.846 -3.102 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.246 -3.837 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.488 -2.824 -2.087 1.00 0.00 H new ATOM 350 N ALA A 23 -5.973 -3.389 0.044 1.00 0.00 N ATOM 351 CA ALA A 23 -6.606 -4.579 0.553 1.00 0.00 C ATOM 352 C ALA A 23 -6.355 -5.743 -0.385 1.00 0.00 C ATOM 353 O ALA A 23 -6.520 -5.629 -1.607 1.00 0.00 O ATOM 354 CB ALA A 23 -8.095 -4.349 0.739 1.00 0.00 C ATOM 0 H ALA A 23 -6.291 -3.104 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.176 -4.819 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.558 -5.257 1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.252 -3.534 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.546 -4.090 -0.219 1.00 0.00 H new ATOM 360 N GLY A 24 -5.947 -6.852 0.167 1.00 0.00 N ATOM 361 CA GLY A 24 -5.686 -8.005 -0.631 1.00 0.00 C ATOM 362 C GLY A 24 -6.721 -9.064 -0.409 1.00 0.00 C ATOM 363 O GLY A 24 -7.257 -9.187 0.687 1.00 0.00 O ATOM 0 H GLY A 24 -5.790 -6.976 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.669 -7.725 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.699 -8.401 -0.390 1.00 0.00 H new ATOM 367 N GLN A 25 -7.008 -9.835 -1.449 1.00 0.00 N ATOM 368 CA GLN A 25 -7.992 -10.933 -1.391 1.00 0.00 C ATOM 369 C GLN A 25 -7.733 -11.945 -0.250 1.00 0.00 C ATOM 370 O GLN A 25 -8.585 -12.777 0.052 1.00 0.00 O ATOM 371 CB GLN A 25 -8.087 -11.654 -2.751 1.00 0.00 C ATOM 372 CG GLN A 25 -6.782 -11.709 -3.552 1.00 0.00 C ATOM 373 CD GLN A 25 -5.651 -12.408 -2.824 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.495 -13.617 -2.921 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.832 -11.639 -2.126 1.00 0.00 N ATOM 0 H GLN A 25 -6.570 -9.725 -2.363 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.950 -10.465 -1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.433 -12.673 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.845 -11.157 -3.356 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.967 -12.221 -4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.472 -10.693 -3.796 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.999 -10.634 -2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.034 -12.051 -1.643 1.00 0.00 H new ATOM 384 N ASP A 26 -6.560 -11.880 0.376 1.00 0.00 N ATOM 385 CA ASP A 26 -6.250 -12.748 1.515 1.00 0.00 C ATOM 386 C ASP A 26 -7.013 -12.289 2.749 1.00 0.00 C ATOM 387 O ASP A 26 -7.210 -13.045 3.703 1.00 0.00 O ATOM 388 CB ASP A 26 -4.744 -12.766 1.802 1.00 0.00 C ATOM 389 CG ASP A 26 -3.962 -13.565 0.782 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.790 -14.784 0.989 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.522 -12.983 -0.235 1.00 0.00 O ATOM 0 H ASP A 26 -5.810 -11.239 0.117 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.559 -13.762 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.370 -11.742 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.573 -13.185 2.794 1.00 0.00 H new ATOM 396 N GLY A 27 -7.414 -11.032 2.737 1.00 0.00 N ATOM 397 CA GLY A 27 -8.210 -10.486 3.811 1.00 0.00 C ATOM 398 C GLY A 27 -7.398 -9.577 4.687 1.00 0.00 C ATOM 399 O GLY A 27 -7.643 -9.458 5.886 1.00 0.00 O ATOM 0 H GLY A 27 -7.199 -10.371 1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.054 -9.935 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.622 -11.298 4.410 1.00 0.00 H new ATOM 403 N SER A 28 -6.413 -8.940 4.099 1.00 0.00 N ATOM 404 CA SER A 28 -5.560 -8.029 4.819 1.00 0.00 C ATOM 405 C SER A 28 -5.556 -6.654 4.156 1.00 0.00 C ATOM 406 O SER A 28 -5.865 -6.523 2.968 1.00 0.00 O ATOM 407 CB SER A 28 -4.151 -8.600 4.907 1.00 0.00 C ATOM 408 OG SER A 28 -3.702 -9.078 3.643 1.00 0.00 O ATOM 0 H SER A 28 -6.182 -9.039 3.110 1.00 0.00 H new ATOM 0 HA SER A 28 -5.948 -7.906 5.830 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.468 -7.832 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.131 -9.413 5.633 1.00 0.00 H new ATOM 0 HG SER A 28 -2.777 -8.790 3.494 1.00 0.00 H new ATOM 414 N VAL A 29 -5.205 -5.626 4.919 1.00 0.00 N ATOM 415 CA VAL A 29 -5.196 -4.263 4.421 1.00 0.00 C ATOM 416 C VAL A 29 -4.126 -3.423 5.122 1.00 0.00 C ATOM 417 O VAL A 29 -3.917 -3.538 6.331 1.00 0.00 O ATOM 418 CB VAL A 29 -6.599 -3.594 4.571 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.132 -3.764 5.976 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.564 -2.116 4.185 1.00 0.00 C ATOM 0 H VAL A 29 -4.921 -5.716 5.894 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.953 -4.308 3.359 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.275 -4.100 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.110 -3.289 6.054 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.225 -4.826 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.446 -3.300 6.684 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.559 -1.686 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.862 -1.588 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.247 -2.019 3.147 1.00 0.00 H new ATOM 430 N VAL A 30 -3.435 -2.586 4.359 1.00 0.00 N ATOM 431 CA VAL A 30 -2.405 -1.723 4.908 1.00 0.00 C ATOM 432 C VAL A 30 -2.730 -0.273 4.588 1.00 0.00 C ATOM 433 O VAL A 30 -3.187 0.038 3.491 1.00 0.00 O ATOM 434 CB VAL A 30 -1.007 -2.052 4.350 1.00 0.00 C ATOM 435 CG1 VAL A 30 0.071 -1.374 5.183 1.00 0.00 C ATOM 436 CG2 VAL A 30 -0.784 -3.553 4.293 1.00 0.00 C ATOM 0 H VAL A 30 -3.573 -2.489 3.353 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.387 -1.888 5.985 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.946 -1.667 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.052 -1.617 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.075 -0.294 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.009 -1.725 6.213 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.210 -3.758 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.867 -3.972 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.534 -4.008 3.646 1.00 0.00 H new ATOM 446 N GLN A 31 -2.538 0.611 5.552 1.00 0.00 N ATOM 447 CA GLN A 31 -2.812 2.024 5.351 1.00 0.00 C ATOM 448 C GLN A 31 -1.510 2.816 5.270 1.00 0.00 C ATOM 449 O GLN A 31 -0.531 2.492 5.944 1.00 0.00 O ATOM 450 CB GLN A 31 -3.686 2.579 6.485 1.00 0.00 C ATOM 451 CG GLN A 31 -4.986 1.815 6.732 1.00 0.00 C ATOM 452 CD GLN A 31 -4.841 0.673 7.729 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.626 -0.529 7.230 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -4.960 0.870 8.934 1.00 0.00 N flip ATOM 0 H GLN A 31 -2.193 0.375 6.483 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.352 2.129 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.102 2.580 7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.930 3.617 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.743 2.510 7.096 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.349 1.416 5.785 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.126 1.814 9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.893 0.090 9.587 1.00 0.00 H new ATOM 463 N PHE A 32 -1.489 3.854 4.436 1.00 0.00 N ATOM 464 CA PHE A 32 -0.297 4.686 4.268 1.00 0.00 C ATOM 465 C PHE A 32 -0.681 6.157 4.166 1.00 0.00 C ATOM 466 O PHE A 32 -1.778 6.494 3.725 1.00 0.00 O ATOM 467 CB PHE A 32 0.463 4.306 2.984 1.00 0.00 C ATOM 468 CG PHE A 32 0.602 2.835 2.738 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.426 2.132 2.140 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.759 2.160 3.085 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.309 0.791 1.895 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.881 0.803 2.842 1.00 0.00 C ATOM 473 CZ PHE A 32 0.842 0.121 2.244 1.00 0.00 C ATOM 0 H PHE A 32 -2.284 4.140 3.865 1.00 0.00 H new ATOM 0 HA PHE A 32 0.338 4.520 5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.048 4.754 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.459 4.747 3.026 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.334 2.648 1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.573 2.696 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.122 0.256 1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.785 0.281 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.931 -0.938 2.050 1.00 0.00 H new ATOM 509 N ILE A 34 0.844 9.224 2.288 1.00 0.00 N ATOM 510 CA ILE A 34 1.856 9.685 1.340 1.00 0.00 C ATOM 511 C ILE A 34 1.374 10.920 0.608 1.00 0.00 C ATOM 512 O ILE A 34 0.193 11.257 0.651 1.00 0.00 O ATOM 513 CB ILE A 34 2.229 8.589 0.294 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.083 8.373 -0.699 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.577 7.276 0.991 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.406 7.393 -1.810 1.00 0.00 C ATOM 0 HA ILE A 34 2.747 9.919 1.923 1.00 0.00 H new ATOM 0 HB ILE A 34 3.104 8.933 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.208 8.015 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.814 9.332 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.834 6.525 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.426 7.431 1.657 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.720 6.933 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.544 7.295 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.261 7.758 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.646 6.421 -1.379 1.00 0.00 H new ATOM 528 N LYS A 35 2.281 11.599 -0.065 1.00 0.00 N ATOM 529 CA LYS A 35 1.937 12.798 -0.804 1.00 0.00 C ATOM 530 C LYS A 35 1.217 12.422 -2.087 1.00 0.00 C ATOM 531 O LYS A 35 1.452 11.356 -2.649 1.00 0.00 O ATOM 532 CB LYS A 35 3.188 13.635 -1.137 1.00 0.00 C ATOM 533 CG LYS A 35 3.963 14.167 0.058 1.00 0.00 C ATOM 534 CD LYS A 35 4.680 13.051 0.797 1.00 0.00 C ATOM 535 CE LYS A 35 5.798 13.590 1.639 1.00 0.00 C ATOM 536 NZ LYS A 35 6.370 12.560 2.538 1.00 0.00 N ATOM 0 H LYS A 35 3.266 11.340 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 35 1.283 13.403 -0.176 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.860 13.025 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.883 14.480 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.689 14.907 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.280 14.676 0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.971 12.515 1.428 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.075 12.332 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.583 13.980 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.431 14.426 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.139 12.978 3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.629 12.205 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.744 11.773 1.970 1.00 0.00 H new ATOM 550 N ARG A 36 0.349 13.293 -2.558 1.00 0.00 N ATOM 551 CA ARG A 36 -0.399 13.031 -3.788 1.00 0.00 C ATOM 552 C ARG A 36 0.507 13.128 -5.007 1.00 0.00 C ATOM 553 O ARG A 36 0.150 12.702 -6.098 1.00 0.00 O ATOM 554 CB ARG A 36 -1.604 13.979 -3.914 1.00 0.00 C ATOM 555 CG ARG A 36 -1.258 15.445 -3.746 1.00 0.00 C ATOM 556 CD ARG A 36 -0.916 16.118 -5.059 1.00 0.00 C ATOM 557 NE ARG A 36 -0.432 17.478 -4.841 1.00 0.00 N ATOM 558 CZ ARG A 36 -0.367 18.418 -5.783 1.00 0.00 C ATOM 559 NH1 ARG A 36 -0.824 18.174 -7.003 1.00 0.00 N ATOM 560 NH2 ARG A 36 0.143 19.611 -5.499 1.00 0.00 N ATOM 0 H ARG A 36 0.139 14.188 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.782 12.012 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.065 13.835 -4.891 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.348 13.704 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.100 15.962 -3.285 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.414 15.539 -3.063 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.156 15.537 -5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.797 16.140 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.122 17.726 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.228 17.264 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.772 18.897 -7.721 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.486 19.809 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.192 20.330 -6.221 1.00 0.00 H new ATOM 574 N HIS A 37 1.698 13.674 -4.812 1.00 0.00 N ATOM 575 CA HIS A 37 2.665 13.807 -5.887 1.00 0.00 C ATOM 576 C HIS A 37 3.728 12.728 -5.723 1.00 0.00 C ATOM 577 O HIS A 37 4.623 12.560 -6.551 1.00 0.00 O ATOM 578 CB HIS A 37 3.310 15.193 -5.836 1.00 0.00 C ATOM 579 CG HIS A 37 4.246 15.485 -6.974 1.00 0.00 C ATOM 580 ND1 HIS A 37 3.817 15.857 -8.230 1.00 0.00 N ATOM 581 CD2 HIS A 37 5.598 15.455 -7.041 1.00 0.00 C ATOM 582 CE1 HIS A 37 4.860 16.040 -9.014 1.00 0.00 C ATOM 583 NE2 HIS A 37 5.951 15.803 -8.316 1.00 0.00 N ATOM 0 H HIS A 37 2.018 14.034 -3.913 1.00 0.00 H new ATOM 0 HA HIS A 37 2.169 13.691 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.522 15.947 -5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.856 15.292 -4.898 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.273 15.203 -6.236 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.826 16.334 -10.053 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.906 15.868 -8.669 1.00 0.00 H new ATOM 592 N THR A 38 3.608 12.001 -4.647 1.00 0.00 N ATOM 593 CA THR A 38 4.523 10.954 -4.299 1.00 0.00 C ATOM 594 C THR A 38 4.108 9.644 -4.970 1.00 0.00 C ATOM 595 O THR A 38 2.933 9.299 -4.980 1.00 0.00 O ATOM 596 CB THR A 38 4.551 10.802 -2.762 1.00 0.00 C ATOM 597 OG1 THR A 38 5.414 11.789 -2.187 1.00 0.00 O ATOM 598 CG2 THR A 38 4.974 9.415 -2.320 1.00 0.00 C ATOM 0 H THR A 38 2.853 12.124 -3.973 1.00 0.00 H new ATOM 0 HA THR A 38 5.523 11.206 -4.651 1.00 0.00 H new ATOM 0 HB THR A 38 3.532 10.952 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.037 11.357 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.976 9.365 -1.231 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.275 8.678 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.975 9.203 -2.695 1.00 0.00 H new ATOM 606 N PRO A 39 5.070 8.908 -5.555 1.00 0.00 N ATOM 607 CA PRO A 39 4.791 7.649 -6.245 1.00 0.00 C ATOM 608 C PRO A 39 4.151 6.612 -5.324 1.00 0.00 C ATOM 609 O PRO A 39 4.696 6.266 -4.270 1.00 0.00 O ATOM 610 CB PRO A 39 6.172 7.174 -6.723 1.00 0.00 C ATOM 611 CG PRO A 39 7.150 7.927 -5.888 1.00 0.00 C ATOM 612 CD PRO A 39 6.503 9.243 -5.583 1.00 0.00 C ATOM 0 HA PRO A 39 4.077 7.784 -7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.287 6.098 -6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.316 7.382 -7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.381 7.384 -4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.091 8.068 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.842 9.648 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.728 9.990 -6.344 1.00 0.00 H new ATOM 620 N LEU A 40 2.989 6.112 -5.726 1.00 0.00 N ATOM 621 CA LEU A 40 2.259 5.114 -4.947 1.00 0.00 C ATOM 622 C LEU A 40 3.016 3.789 -4.876 1.00 0.00 C ATOM 623 O LEU A 40 2.735 2.937 -4.035 1.00 0.00 O ATOM 624 CB LEU A 40 0.828 4.917 -5.497 1.00 0.00 C ATOM 625 CG LEU A 40 0.674 4.830 -7.029 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.334 3.581 -7.590 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.793 4.867 -7.413 1.00 0.00 C ATOM 0 H LEU A 40 2.527 6.383 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 40 2.175 5.491 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.421 4.004 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.211 5.742 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 40 1.179 5.694 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.204 3.556 -8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.398 3.594 -7.352 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.874 2.697 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.887 4.805 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.310 4.024 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.237 5.799 -7.063 1.00 0.00 H new ATOM 639 N SER A 41 3.975 3.621 -5.772 1.00 0.00 N ATOM 640 CA SER A 41 4.793 2.424 -5.841 1.00 0.00 C ATOM 641 C SER A 41 5.457 2.113 -4.508 1.00 0.00 C ATOM 642 O SER A 41 5.701 0.947 -4.179 1.00 0.00 O ATOM 643 CB SER A 41 5.846 2.602 -6.914 1.00 0.00 C ATOM 644 OG SER A 41 6.371 3.918 -6.888 1.00 0.00 O ATOM 0 H SER A 41 4.209 4.319 -6.478 1.00 0.00 H new ATOM 0 HA SER A 41 4.145 1.583 -6.086 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.650 1.881 -6.764 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.413 2.397 -7.893 1.00 0.00 H new ATOM 0 HG SER A 41 6.414 4.271 -7.801 1.00 0.00 H new ATOM 650 N LYS A 42 5.725 3.151 -3.730 1.00 0.00 N ATOM 651 CA LYS A 42 6.369 2.993 -2.449 1.00 0.00 C ATOM 652 C LYS A 42 5.481 2.196 -1.501 1.00 0.00 C ATOM 653 O LYS A 42 5.953 1.326 -0.778 1.00 0.00 O ATOM 654 CB LYS A 42 6.715 4.357 -1.857 1.00 0.00 C ATOM 655 CG LYS A 42 7.611 5.195 -2.763 1.00 0.00 C ATOM 656 CD LYS A 42 7.974 6.533 -2.132 1.00 0.00 C ATOM 657 CE LYS A 42 8.833 6.356 -0.889 1.00 0.00 C ATOM 658 NZ LYS A 42 10.119 5.669 -1.188 1.00 0.00 N ATOM 0 H LYS A 42 5.502 4.116 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 42 7.297 2.438 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.793 4.905 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.212 4.214 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.523 4.640 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.105 5.368 -3.713 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.508 7.145 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.063 7.071 -1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.038 7.332 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.280 5.781 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.767 5.778 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.942 4.658 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.549 6.090 -2.036 1.00 0.00 H new ATOM 672 N LEU A 43 4.181 2.478 -1.527 1.00 0.00 N ATOM 673 CA LEU A 43 3.241 1.756 -0.683 1.00 0.00 C ATOM 674 C LEU A 43 3.032 0.348 -1.220 1.00 0.00 C ATOM 675 O LEU A 43 2.840 -0.597 -0.461 1.00 0.00 O ATOM 676 CB LEU A 43 1.890 2.512 -0.556 1.00 0.00 C ATOM 677 CG LEU A 43 0.894 2.391 -1.728 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.053 1.117 -1.623 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.008 3.606 -1.785 1.00 0.00 C ATOM 0 H LEU A 43 3.760 3.195 -2.118 1.00 0.00 H new ATOM 0 HA LEU A 43 3.666 1.688 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.391 2.160 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.109 3.570 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 43 1.476 2.335 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.637 1.066 -2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.708 0.246 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.512 1.130 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.704 3.504 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.567 3.688 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.597 4.502 -1.926 1.00 0.00 H new ATOM 691 N MET A 44 3.083 0.208 -2.544 1.00 0.00 N ATOM 692 CA MET A 44 2.875 -1.085 -3.178 1.00 0.00 C ATOM 693 C MET A 44 3.988 -2.053 -2.815 1.00 0.00 C ATOM 694 O MET A 44 3.733 -3.181 -2.395 1.00 0.00 O ATOM 695 CB MET A 44 2.759 -0.952 -4.701 1.00 0.00 C ATOM 696 CG MET A 44 1.599 -0.081 -5.161 1.00 0.00 C ATOM 697 SD MET A 44 1.150 -0.370 -6.887 1.00 0.00 S ATOM 698 CE MET A 44 2.683 0.006 -7.719 1.00 0.00 C ATOM 0 H MET A 44 3.266 0.973 -3.193 1.00 0.00 H new ATOM 0 HA MET A 44 1.932 -1.483 -2.803 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.688 -0.537 -5.091 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.648 -1.946 -5.135 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.733 -0.273 -4.528 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.864 0.968 -5.030 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.626 -0.328 -8.755 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.856 1.082 -7.694 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.504 -0.506 -7.217 1.00 0.00 H new ATOM 708 N LYS A 45 5.232 -1.619 -2.964 1.00 0.00 N ATOM 709 CA LYS A 45 6.355 -2.467 -2.615 1.00 0.00 C ATOM 710 C LYS A 45 6.409 -2.692 -1.116 1.00 0.00 C ATOM 711 O LYS A 45 6.743 -3.780 -0.651 1.00 0.00 O ATOM 712 CB LYS A 45 7.671 -1.897 -3.124 1.00 0.00 C ATOM 713 CG LYS A 45 7.784 -1.933 -4.632 1.00 0.00 C ATOM 714 CD LYS A 45 9.223 -2.045 -5.081 1.00 0.00 C ATOM 715 CE LYS A 45 9.310 -2.133 -6.592 1.00 0.00 C ATOM 716 NZ LYS A 45 8.985 -0.834 -7.238 1.00 0.00 N ATOM 0 H LYS A 45 5.484 -0.697 -3.320 1.00 0.00 H new ATOM 0 HA LYS A 45 6.206 -3.429 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.772 -0.867 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.497 -2.460 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.215 -2.778 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.341 -1.030 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.787 -1.181 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.681 -2.927 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.314 -2.442 -6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.624 -2.900 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.233 -0.877 -8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.968 -0.642 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.527 -0.073 -6.780 1.00 0.00 H new ATOM 730 N ALA A 46 6.040 -1.671 -0.349 1.00 0.00 N ATOM 731 CA ALA A 46 6.011 -1.782 1.097 1.00 0.00 C ATOM 732 C ALA A 46 4.975 -2.809 1.518 1.00 0.00 C ATOM 733 O ALA A 46 5.138 -3.503 2.520 1.00 0.00 O ATOM 734 CB ALA A 46 5.712 -0.436 1.734 1.00 0.00 C ATOM 0 H ALA A 46 5.758 -0.759 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 46 6.993 -2.109 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.695 -0.543 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.484 0.280 1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.742 -0.078 1.389 1.00 0.00 H new ATOM 740 N TYR A 47 3.905 -2.918 0.735 1.00 0.00 N ATOM 741 CA TYR A 47 2.852 -3.870 0.999 1.00 0.00 C ATOM 742 C TYR A 47 3.375 -5.288 0.889 1.00 0.00 C ATOM 743 O TYR A 47 3.290 -6.059 1.831 1.00 0.00 O ATOM 744 CB TYR A 47 1.692 -3.667 0.017 1.00 0.00 C ATOM 745 CG TYR A 47 0.589 -4.707 0.121 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.466 -4.532 0.990 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.610 -5.854 -0.661 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.482 -5.464 1.085 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.396 -6.796 -0.575 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.443 -6.597 0.301 1.00 0.00 C ATOM 751 OH TYR A 47 -2.450 -7.532 0.393 1.00 0.00 O ATOM 0 H TYR A 47 3.752 -2.347 -0.096 1.00 0.00 H new ATOM 0 HA TYR A 47 2.492 -3.707 2.015 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.260 -2.680 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.087 -3.675 -0.999 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.500 -3.648 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.428 -6.012 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.302 -5.305 1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.363 -7.683 -1.190 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.270 -8.269 -0.228 1.00 0.00 H new ATOM 761 N CYS A 48 3.955 -5.628 -0.254 1.00 0.00 N ATOM 762 CA CYS A 48 4.439 -6.978 -0.478 1.00 0.00 C ATOM 763 C CYS A 48 5.553 -7.333 0.499 1.00 0.00 C ATOM 764 O CYS A 48 5.627 -8.457 0.988 1.00 0.00 O ATOM 765 CB CYS A 48 4.896 -7.165 -1.935 1.00 0.00 C ATOM 766 SG CYS A 48 6.117 -5.964 -2.521 1.00 0.00 S ATOM 0 H CYS A 48 4.100 -4.989 -1.036 1.00 0.00 H new ATOM 0 HA CYS A 48 3.611 -7.664 -0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.314 -8.166 -2.042 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.021 -7.115 -2.583 1.00 0.00 H new ATOM 0 HG CYS A 48 6.586 -5.294 -1.511 1.00 0.00 H new ATOM 772 N GLU A 49 6.389 -6.360 0.825 1.00 0.00 N ATOM 773 CA GLU A 49 7.493 -6.588 1.738 1.00 0.00 C ATOM 774 C GLU A 49 7.003 -6.883 3.155 1.00 0.00 C ATOM 775 O GLU A 49 7.535 -7.757 3.839 1.00 0.00 O ATOM 776 CB GLU A 49 8.441 -5.388 1.750 1.00 0.00 C ATOM 777 CG GLU A 49 9.216 -5.200 0.459 1.00 0.00 C ATOM 778 CD GLU A 49 10.272 -4.131 0.579 1.00 0.00 C ATOM 779 OE1 GLU A 49 11.410 -4.459 0.969 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.974 -2.951 0.288 1.00 0.00 O ATOM 0 H GLU A 49 6.323 -5.406 0.470 1.00 0.00 H new ATOM 0 HA GLU A 49 8.033 -7.464 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.865 -4.485 1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.147 -5.504 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.686 -6.143 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.525 -4.938 -0.342 1.00 0.00 H new ATOM 787 N ARG A 50 5.978 -6.170 3.599 1.00 0.00 N ATOM 788 CA ARG A 50 5.472 -6.348 4.955 1.00 0.00 C ATOM 789 C ARG A 50 4.474 -7.505 5.043 1.00 0.00 C ATOM 790 O ARG A 50 4.369 -8.171 6.067 1.00 0.00 O ATOM 791 CB ARG A 50 4.831 -5.052 5.469 1.00 0.00 C ATOM 792 CG ARG A 50 3.482 -4.724 4.843 1.00 0.00 C ATOM 793 CD ARG A 50 2.984 -3.358 5.275 1.00 0.00 C ATOM 794 NE ARG A 50 3.038 -3.181 6.725 1.00 0.00 N ATOM 795 CZ ARG A 50 3.743 -2.225 7.345 1.00 0.00 C ATOM 796 NH1 ARG A 50 4.487 -1.370 6.642 1.00 0.00 N ATOM 797 NH2 ARG A 50 3.712 -2.132 8.663 1.00 0.00 N ATOM 0 H ARG A 50 5.483 -5.469 3.047 1.00 0.00 H new ATOM 0 HA ARG A 50 6.324 -6.596 5.588 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.708 -5.126 6.549 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.515 -4.224 5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.567 -4.754 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.754 -5.484 5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.585 -2.586 4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.958 -3.223 4.933 1.00 0.00 H new ATOM 0 HE ARG A 50 2.503 -3.829 7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.522 -1.441 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.021 -0.645 7.121 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.152 -2.788 9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.248 -1.405 9.136 1.00 0.00 H new ATOM 811 N GLN A 51 3.738 -7.742 3.968 1.00 0.00 N ATOM 812 CA GLN A 51 2.734 -8.802 3.944 1.00 0.00 C ATOM 813 C GLN A 51 3.354 -10.153 3.693 1.00 0.00 C ATOM 814 O GLN A 51 2.782 -11.186 4.036 1.00 0.00 O ATOM 815 CB GLN A 51 1.700 -8.512 2.870 1.00 0.00 C ATOM 816 CG GLN A 51 0.880 -7.285 3.141 1.00 0.00 C ATOM 817 CD GLN A 51 -0.057 -7.454 4.316 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.210 -7.837 4.148 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.438 -7.200 5.508 1.00 0.00 N ATOM 0 H GLN A 51 3.815 -7.215 3.098 1.00 0.00 H new ATOM 0 HA GLN A 51 2.256 -8.826 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.206 -8.396 1.912 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.035 -9.370 2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.546 -6.443 3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.300 -7.038 2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.403 -6.883 5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.143 -7.320 6.338 1.00 0.00 H new ATOM 828 N GLY A 52 4.521 -10.153 3.101 1.00 0.00 N ATOM 829 CA GLY A 52 5.167 -11.390 2.786 1.00 0.00 C ATOM 830 C GLY A 52 4.745 -11.898 1.424 1.00 0.00 C ATOM 831 O GLY A 52 4.507 -13.093 1.233 1.00 0.00 O ATOM 0 H GLY A 52 5.036 -9.315 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.248 -11.254 2.807 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.924 -12.133 3.545 1.00 0.00 H new ATOM 835 N LEU A 53 4.641 -10.984 0.474 1.00 0.00 N ATOM 836 CA LEU A 53 4.259 -11.321 -0.884 1.00 0.00 C ATOM 837 C LEU A 53 5.309 -10.809 -1.859 1.00 0.00 C ATOM 838 O LEU A 53 6.170 -10.014 -1.497 1.00 0.00 O ATOM 839 CB LEU A 53 2.894 -10.725 -1.243 1.00 0.00 C ATOM 840 CG LEU A 53 1.654 -11.449 -0.702 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.657 -12.919 -1.093 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.517 -11.288 0.799 1.00 0.00 C ATOM 0 H LEU A 53 4.819 -9.991 0.623 1.00 0.00 H new ATOM 0 HA LEU A 53 4.188 -12.406 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.869 -9.696 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.816 -10.686 -2.330 1.00 0.00 H new ATOM 0 HG LEU A 53 0.784 -10.980 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.766 -13.403 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.663 -13.006 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.545 -13.402 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.627 -11.815 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.397 -11.703 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.429 -10.230 1.045 1.00 0.00 H new ATOM 854 N SER A 54 5.252 -11.269 -3.091 1.00 0.00 N ATOM 855 CA SER A 54 6.175 -10.825 -4.110 1.00 0.00 C ATOM 856 C SER A 54 5.422 -10.110 -5.232 1.00 0.00 C ATOM 857 O SER A 54 4.246 -10.385 -5.466 1.00 0.00 O ATOM 858 CB SER A 54 6.931 -12.029 -4.662 1.00 0.00 C ATOM 859 OG SER A 54 7.670 -12.677 -3.644 1.00 0.00 O ATOM 0 H SER A 54 4.569 -11.956 -3.411 1.00 0.00 H new ATOM 0 HA SER A 54 6.885 -10.122 -3.674 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.227 -12.731 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.605 -11.707 -5.456 1.00 0.00 H new ATOM 0 HG SER A 54 8.144 -13.446 -4.023 1.00 0.00 H new ATOM 865 N MET A 55 6.096 -9.192 -5.927 1.00 0.00 N ATOM 866 CA MET A 55 5.485 -8.467 -7.051 1.00 0.00 C ATOM 867 C MET A 55 5.065 -9.416 -8.168 1.00 0.00 C ATOM 868 O MET A 55 4.154 -9.132 -8.931 1.00 0.00 O ATOM 869 CB MET A 55 6.429 -7.386 -7.588 1.00 0.00 C ATOM 870 CG MET A 55 6.368 -6.111 -6.788 1.00 0.00 C ATOM 871 SD MET A 55 4.727 -5.375 -6.828 1.00 0.00 S ATOM 872 CE MET A 55 4.870 -4.191 -5.512 1.00 0.00 C ATOM 0 H MET A 55 7.063 -8.931 -5.735 1.00 0.00 H new ATOM 0 HA MET A 55 4.586 -7.980 -6.672 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.451 -7.766 -7.581 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.176 -7.171 -8.626 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.649 -6.316 -5.755 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.095 -5.400 -7.181 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.051 -4.331 -4.806 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.820 -4.332 -4.997 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.827 -3.183 -5.924 1.00 0.00 H new ATOM 882 N ARG A 56 5.746 -10.541 -8.273 1.00 0.00 N ATOM 883 CA ARG A 56 5.391 -11.557 -9.259 1.00 0.00 C ATOM 884 C ARG A 56 4.294 -12.468 -8.716 1.00 0.00 C ATOM 885 O ARG A 56 3.695 -13.252 -9.442 1.00 0.00 O ATOM 886 CB ARG A 56 6.615 -12.387 -9.677 1.00 0.00 C ATOM 887 CG ARG A 56 7.430 -12.954 -8.520 1.00 0.00 C ATOM 888 CD ARG A 56 8.621 -12.065 -8.198 1.00 0.00 C ATOM 889 NE ARG A 56 9.554 -12.003 -9.317 1.00 0.00 N ATOM 890 CZ ARG A 56 10.301 -10.946 -9.636 1.00 0.00 C ATOM 891 NH1 ARG A 56 10.262 -9.842 -8.892 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.097 -10.998 -10.692 1.00 0.00 N ATOM 0 H ARG A 56 6.549 -10.779 -7.690 1.00 0.00 H new ATOM 0 HA ARG A 56 5.017 -11.043 -10.144 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.279 -13.212 -10.305 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.266 -11.764 -10.290 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.796 -13.051 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.778 -13.955 -8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.273 -11.061 -7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.134 -12.446 -7.315 1.00 0.00 H new ATOM 0 HE ARG A 56 9.642 -12.834 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.658 -9.801 -8.071 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.837 -9.037 -9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.138 -11.845 -11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.670 -10.191 -10.939 1.00 0.00 H new ATOM 906 N GLN A 57 4.043 -12.365 -7.419 1.00 0.00 N ATOM 907 CA GLN A 57 3.045 -13.188 -6.758 1.00 0.00 C ATOM 908 C GLN A 57 1.713 -12.471 -6.617 1.00 0.00 C ATOM 909 O GLN A 57 0.693 -13.099 -6.361 1.00 0.00 O ATOM 910 CB GLN A 57 3.542 -13.641 -5.382 1.00 0.00 C ATOM 911 CG GLN A 57 4.195 -15.016 -5.377 1.00 0.00 C ATOM 912 CD GLN A 57 5.426 -15.095 -6.249 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.538 -14.877 -5.787 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.234 -15.388 -7.513 1.00 0.00 N ATOM 0 H GLN A 57 4.523 -11.712 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 57 2.886 -14.062 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.258 -12.909 -5.008 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.701 -13.648 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.465 -15.279 -4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.470 -15.756 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.290 -15.563 -7.858 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.028 -15.441 -8.151 1.00 0.00 H new ATOM 923 N ILE A 58 1.710 -11.158 -6.768 1.00 0.00 N ATOM 924 CA ILE A 58 0.475 -10.387 -6.633 1.00 0.00 C ATOM 925 C ILE A 58 0.399 -9.280 -7.670 1.00 0.00 C ATOM 926 O ILE A 58 1.323 -9.075 -8.449 1.00 0.00 O ATOM 927 CB ILE A 58 0.331 -9.752 -5.224 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.373 -8.645 -5.030 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.452 -10.813 -4.140 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.392 -8.047 -3.641 1.00 0.00 C ATOM 0 H ILE A 58 2.538 -10.603 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.339 -11.095 -6.787 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.660 -9.305 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.361 -9.048 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.182 -7.851 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.348 -10.346 -3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.332 -11.559 -4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.427 -11.295 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.157 -7.272 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.418 -7.611 -3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.615 -8.826 -2.912 1.00 0.00 H new ATOM 942 N ARG A 59 -0.712 -8.568 -7.673 1.00 0.00 N ATOM 943 CA ARG A 59 -0.928 -7.461 -8.575 1.00 0.00 C ATOM 944 C ARG A 59 -1.865 -6.441 -7.964 1.00 0.00 C ATOM 945 O ARG A 59 -2.844 -6.796 -7.304 1.00 0.00 O ATOM 946 CB ARG A 59 -1.466 -7.948 -9.916 1.00 0.00 C ATOM 947 CG ARG A 59 -0.390 -8.137 -10.962 1.00 0.00 C ATOM 948 CD ARG A 59 0.300 -6.834 -11.285 1.00 0.00 C ATOM 949 NE ARG A 59 1.426 -7.041 -12.187 1.00 0.00 N ATOM 950 CZ ARG A 59 1.487 -6.630 -13.449 1.00 0.00 C ATOM 951 NH1 ARG A 59 0.453 -6.011 -14.011 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.584 -6.862 -14.157 1.00 0.00 N ATOM 0 H ARG A 59 -1.494 -8.746 -7.043 1.00 0.00 H new ATOM 0 HA ARG A 59 0.034 -6.979 -8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.988 -8.893 -9.768 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.200 -7.232 -10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.343 -8.860 -10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.831 -8.551 -11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.412 -6.146 -11.741 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.650 -6.367 -10.364 1.00 0.00 H new ATOM 0 HE ARG A 59 2.234 -7.543 -11.819 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.398 -5.848 -13.472 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.511 -5.700 -14.981 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.371 -7.352 -13.732 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.641 -6.550 -15.127 1.00 0.00 H new ATOM 966 N PHE A 60 -1.556 -5.172 -8.178 1.00 0.00 N ATOM 967 CA PHE A 60 -2.340 -4.073 -7.642 1.00 0.00 C ATOM 968 C PHE A 60 -3.242 -3.489 -8.720 1.00 0.00 C ATOM 969 O PHE A 60 -2.839 -3.326 -9.873 1.00 0.00 O ATOM 970 CB PHE A 60 -1.417 -2.981 -7.091 1.00 0.00 C ATOM 971 CG PHE A 60 -0.544 -3.433 -5.954 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.563 -4.232 -6.187 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.828 -3.055 -4.656 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.365 -4.649 -5.146 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.029 -3.469 -3.609 1.00 0.00 C ATOM 976 CZ PHE A 60 1.069 -4.267 -3.857 1.00 0.00 C ATOM 0 H PHE A 60 -0.751 -4.875 -8.730 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.960 -4.456 -6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.783 -2.614 -7.898 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.025 -2.141 -6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.801 -4.532 -7.197 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.685 -2.428 -4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.224 -5.274 -5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.263 -3.169 -2.598 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.696 -4.592 -3.040 1.00 0.00 H new ATOM 986 N ARG A 61 -4.459 -3.177 -8.347 1.00 0.00 N ATOM 987 CA ARG A 61 -5.442 -2.650 -9.267 1.00 0.00 C ATOM 988 C ARG A 61 -6.253 -1.551 -8.592 1.00 0.00 C ATOM 989 O ARG A 61 -6.486 -1.596 -7.385 1.00 0.00 O ATOM 990 CB ARG A 61 -6.363 -3.781 -9.696 1.00 0.00 C ATOM 991 CG ARG A 61 -7.421 -3.397 -10.704 1.00 0.00 C ATOM 992 CD ARG A 61 -8.729 -4.054 -10.356 1.00 0.00 C ATOM 993 NE ARG A 61 -9.609 -4.197 -11.510 1.00 0.00 N ATOM 994 CZ ARG A 61 -10.854 -4.670 -11.452 1.00 0.00 C ATOM 995 NH1 ARG A 61 -11.376 -5.053 -10.289 1.00 0.00 N ATOM 996 NH2 ARG A 61 -11.569 -4.771 -12.561 1.00 0.00 N ATOM 0 H ARG A 61 -4.799 -3.282 -7.391 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.941 -2.227 -10.138 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.757 -4.583 -10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.855 -4.184 -8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.542 -2.314 -10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.108 -3.698 -11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.535 -5.037 -9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.234 -3.466 -9.589 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.248 -3.917 -12.422 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.823 -4.986 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.329 -5.414 -10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.167 -4.488 -13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.522 -5.132 -12.522 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.668 -0.562 -9.359 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.479 0.521 -8.837 1.00 0.00 C ATOM 1012 C PHE A 62 -8.340 1.098 -9.937 1.00 0.00 C ATOM 1013 O PHE A 62 -7.915 1.187 -11.083 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.609 1.611 -8.222 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.393 2.724 -7.586 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.897 2.587 -6.308 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.618 3.908 -8.267 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.611 3.610 -5.719 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.332 4.932 -7.684 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.827 4.786 -6.407 1.00 0.00 C ATOM 0 H PHE A 62 -6.455 -0.486 -10.354 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.121 0.120 -8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.957 1.163 -7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.965 2.029 -8.996 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.731 1.669 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.229 4.031 -9.267 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.001 3.490 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.504 5.849 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.382 5.589 -5.946 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.554 1.493 -9.580 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.530 2.040 -10.533 1.00 0.00 C ATOM 1032 C ASP A 63 -10.762 1.086 -11.699 1.00 0.00 C ATOM 1033 O ASP A 63 -11.158 1.494 -12.792 1.00 0.00 O ATOM 1034 CB ASP A 63 -10.070 3.397 -11.066 1.00 0.00 C ATOM 1035 CG ASP A 63 -11.003 4.519 -10.662 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -12.144 4.563 -11.169 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.605 5.368 -9.846 1.00 0.00 O ATOM 0 H ASP A 63 -9.898 1.446 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.470 2.168 -9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.067 3.610 -10.695 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.005 3.355 -12.153 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.517 -0.193 -11.464 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.708 -1.193 -12.486 1.00 0.00 C ATOM 1044 C GLY A 64 -9.451 -1.456 -13.310 1.00 0.00 C ATOM 1045 O GLY A 64 -9.300 -2.527 -13.900 1.00 0.00 O ATOM 0 H GLY A 64 -10.185 -0.557 -10.571 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.030 -2.124 -12.019 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.511 -0.875 -13.151 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.537 -0.502 -13.328 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.311 -0.621 -14.120 1.00 0.00 C ATOM 1051 C GLN A 65 -6.129 -1.070 -13.260 1.00 0.00 C ATOM 1052 O GLN A 65 -6.095 -0.811 -12.056 1.00 0.00 O ATOM 1053 CB GLN A 65 -6.983 0.714 -14.804 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.925 1.891 -13.851 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.358 3.142 -14.480 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -5.744 3.971 -13.665 1.00 0.00 O flip ATOM 1057 NE2 GLN A 65 -6.469 3.359 -15.685 1.00 0.00 N flip ATOM 0 H GLN A 65 -8.615 0.369 -12.803 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.484 -1.382 -14.881 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.024 0.624 -15.315 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.734 0.914 -15.569 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.929 2.101 -13.483 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.318 1.620 -12.987 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.954 2.688 -16.281 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.076 4.210 -16.088 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.151 -1.764 -13.866 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.947 -2.207 -13.160 1.00 0.00 C ATOM 1068 C PRO A 66 -3.029 -1.031 -12.834 1.00 0.00 C ATOM 1069 O PRO A 66 -2.857 -0.115 -13.641 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.271 -3.147 -14.166 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.745 -2.674 -15.496 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.147 -2.179 -15.284 1.00 0.00 C ATOM 0 HA PRO A 66 -4.174 -2.682 -12.205 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.185 -3.095 -14.090 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.553 -4.185 -13.990 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.104 -1.879 -15.878 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.723 -3.481 -16.228 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.384 -1.347 -15.947 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.883 -2.960 -15.477 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.450 -1.043 -11.652 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.567 0.030 -11.230 1.00 0.00 C ATOM 1082 C ILE A 67 -0.127 -0.273 -11.639 1.00 0.00 C ATOM 1083 O ILE A 67 0.290 -1.433 -11.672 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.623 0.227 -9.697 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.071 0.348 -9.222 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.831 1.459 -9.284 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.195 0.498 -7.724 1.00 0.00 C ATOM 0 H ILE A 67 -2.574 -1.785 -10.963 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.904 0.944 -11.719 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.174 -0.648 -9.227 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.535 1.207 -9.706 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.626 -0.535 -9.539 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.883 1.579 -8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.210 1.341 -9.586 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.251 2.341 -9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.247 0.579 -7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.760 -0.373 -7.234 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.667 1.396 -7.403 1.00 0.00 H new ATOM 1099 N ASN A 68 0.640 0.766 -11.951 1.00 0.00 N ATOM 1100 CA ASN A 68 2.038 0.601 -12.313 1.00 0.00 C ATOM 1101 C ASN A 68 2.878 1.266 -11.258 1.00 0.00 C ATOM 1102 O ASN A 68 2.409 2.166 -10.564 1.00 0.00 O ATOM 1103 CB ASN A 68 2.366 1.230 -13.683 1.00 0.00 C ATOM 1104 CG ASN A 68 1.146 1.594 -14.500 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.701 2.828 -14.365 1.00 0.00 O flip ATOM 1106 ND2 ASN A 68 0.625 0.779 -15.262 1.00 0.00 N flip ATOM 0 H ASN A 68 0.314 1.732 -11.960 1.00 0.00 H new ATOM 0 HA ASN A 68 2.249 -0.466 -12.382 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.966 2.126 -13.526 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.979 0.533 -14.254 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.003 -0.166 -15.334 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.185 1.048 -15.821 1.00 0.00 H new ATOM 1113 N GLU A 69 4.122 0.858 -11.123 1.00 0.00 N ATOM 1114 CA GLU A 69 4.983 1.462 -10.128 1.00 0.00 C ATOM 1115 C GLU A 69 5.406 2.869 -10.551 1.00 0.00 C ATOM 1116 O GLU A 69 5.949 3.640 -9.765 1.00 0.00 O ATOM 1117 CB GLU A 69 6.195 0.572 -9.823 1.00 0.00 C ATOM 1118 CG GLU A 69 7.075 0.257 -11.014 1.00 0.00 C ATOM 1119 CD GLU A 69 8.192 -0.696 -10.651 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.105 -0.292 -9.896 1.00 0.00 O ATOM 1121 OE2 GLU A 69 8.151 -1.858 -11.093 1.00 0.00 O ATOM 0 H GLU A 69 4.555 0.122 -11.680 1.00 0.00 H new ATOM 0 HA GLU A 69 4.413 1.555 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.802 1.060 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.840 -0.365 -9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.469 -0.179 -11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.499 1.181 -11.407 1.00 0.00 H new ATOM 1128 N THR A 70 5.150 3.198 -11.800 1.00 0.00 N ATOM 1129 CA THR A 70 5.444 4.508 -12.329 1.00 0.00 C ATOM 1130 C THR A 70 4.202 5.404 -12.321 1.00 0.00 C ATOM 1131 O THR A 70 4.176 6.460 -12.958 1.00 0.00 O ATOM 1132 CB THR A 70 5.980 4.385 -13.757 1.00 0.00 C ATOM 1133 OG1 THR A 70 5.145 3.482 -14.503 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.404 3.861 -13.740 1.00 0.00 C ATOM 0 H THR A 70 4.731 2.560 -12.477 1.00 0.00 H new ATOM 0 HA THR A 70 6.199 4.966 -11.691 1.00 0.00 H new ATOM 0 HB THR A 70 5.972 5.369 -14.226 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.485 3.403 -15.419 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.773 3.778 -14.762 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.038 4.548 -13.180 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.425 2.880 -13.266 1.00 0.00 H new ATOM 1142 N ASP A 71 3.167 4.991 -11.595 1.00 0.00 N ATOM 1143 CA ASP A 71 1.937 5.774 -11.519 1.00 0.00 C ATOM 1144 C ASP A 71 1.910 6.626 -10.240 1.00 0.00 C ATOM 1145 O ASP A 71 2.527 6.277 -9.226 1.00 0.00 O ATOM 1146 CB ASP A 71 0.712 4.861 -11.558 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.488 5.530 -12.201 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -1.085 6.424 -11.583 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.822 5.169 -13.347 1.00 0.00 O ATOM 0 H ASP A 71 3.154 4.126 -11.055 1.00 0.00 H new ATOM 0 HA ASP A 71 1.910 6.438 -12.383 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.957 3.953 -12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.455 4.559 -10.543 1.00 0.00 H new ATOM 1154 N THR A 72 1.218 7.751 -10.297 1.00 0.00 N ATOM 1155 CA THR A 72 1.082 8.644 -9.152 1.00 0.00 C ATOM 1156 C THR A 72 -0.383 8.662 -8.691 1.00 0.00 C ATOM 1157 O THR A 72 -1.284 8.667 -9.520 1.00 0.00 O ATOM 1158 CB THR A 72 1.506 10.081 -9.539 1.00 0.00 C ATOM 1159 OG1 THR A 72 2.600 10.025 -10.462 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.936 10.881 -8.319 1.00 0.00 C ATOM 0 H THR A 72 0.734 8.073 -11.135 1.00 0.00 H new ATOM 0 HA THR A 72 1.724 8.285 -8.348 1.00 0.00 H new ATOM 0 HB THR A 72 0.646 10.573 -9.993 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.867 10.935 -10.708 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.227 11.885 -8.627 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.107 10.944 -7.614 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.782 10.388 -7.841 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.640 8.694 -7.366 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.010 8.686 -6.811 1.00 0.00 C ATOM 1170 C PRO A 73 -2.875 9.806 -7.388 1.00 0.00 C ATOM 1171 O PRO A 73 -4.083 9.649 -7.599 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.782 8.918 -5.306 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.391 9.441 -5.217 1.00 0.00 C ATOM 1174 CD PRO A 73 0.359 8.758 -6.304 1.00 0.00 C ATOM 0 HA PRO A 73 -2.539 7.762 -7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.501 9.630 -4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.896 7.993 -4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.369 10.523 -5.345 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.048 9.227 -4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.242 9.321 -6.607 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.700 7.767 -6.004 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.248 10.933 -7.667 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.937 12.088 -8.201 1.00 0.00 C ATOM 1184 C ALA A 74 -3.402 11.859 -9.638 1.00 0.00 C ATOM 1185 O ALA A 74 -4.244 12.585 -10.151 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.033 13.296 -8.125 1.00 0.00 C ATOM 0 H ALA A 74 -1.247 11.072 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.828 12.260 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.553 14.165 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.763 13.484 -7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.130 13.112 -8.707 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.857 10.847 -10.287 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.230 10.533 -11.655 1.00 0.00 C ATOM 1194 C GLN A 75 -4.595 9.879 -11.711 1.00 0.00 C ATOM 1195 O GLN A 75 -5.378 10.128 -12.617 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.195 9.615 -12.292 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.929 10.317 -12.739 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.196 11.390 -13.777 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -1.218 11.119 -14.977 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.390 12.615 -13.327 1.00 0.00 N ATOM 0 H GLN A 75 -2.153 10.226 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.270 11.469 -12.212 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.931 8.834 -11.579 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.646 9.121 -13.153 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.442 10.766 -11.874 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.236 9.583 -13.150 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.364 12.800 -12.324 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.566 13.377 -13.982 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.885 9.038 -10.733 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.146 8.324 -10.701 1.00 0.00 C ATOM 1211 C LEU A 76 -7.228 9.147 -10.016 1.00 0.00 C ATOM 1212 O LEU A 76 -8.373 8.714 -9.912 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.986 6.970 -10.000 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.696 6.208 -10.319 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.651 6.471 -9.255 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.966 4.722 -10.439 1.00 0.00 C ATOM 0 H LEU A 76 -4.263 8.834 -9.951 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.453 8.149 -11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.035 7.131 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.834 6.340 -10.267 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.316 6.564 -11.276 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.740 5.923 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.432 7.538 -9.216 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.027 6.142 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.036 4.200 -10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.371 4.349 -9.499 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.685 4.546 -11.239 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.857 10.348 -9.542 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.797 11.244 -8.860 1.00 0.00 C ATOM 1230 C GLU A 77 -8.400 10.570 -7.643 1.00 0.00 C ATOM 1231 O GLU A 77 -9.552 10.808 -7.279 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.893 11.699 -9.819 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.429 12.741 -10.808 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.153 14.070 -10.143 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.077 14.620 -9.501 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -7.018 14.580 -10.257 1.00 0.00 O ATOM 0 H GLU A 77 -5.910 10.719 -9.620 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.246 12.122 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.271 10.834 -10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.726 12.101 -9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.525 12.391 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.188 12.872 -11.579 1.00 0.00 H new ATOM 1243 N MET A 78 -7.610 9.737 -7.008 1.00 0.00 N ATOM 1244 CA MET A 78 -8.044 9.019 -5.831 1.00 0.00 C ATOM 1245 C MET A 78 -7.991 9.936 -4.612 1.00 0.00 C ATOM 1246 O MET A 78 -7.314 10.970 -4.624 1.00 0.00 O ATOM 1247 CB MET A 78 -7.168 7.776 -5.626 1.00 0.00 C ATOM 1248 CG MET A 78 -5.728 8.085 -5.262 1.00 0.00 C ATOM 1249 SD MET A 78 -4.564 6.873 -5.927 1.00 0.00 S ATOM 1250 CE MET A 78 -5.221 5.352 -5.269 1.00 0.00 C ATOM 0 H MET A 78 -6.651 9.537 -7.291 1.00 0.00 H new ATOM 0 HA MET A 78 -9.075 8.692 -5.965 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.606 7.162 -4.839 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.181 7.181 -6.539 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.468 9.075 -5.636 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.631 8.118 -4.177 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.476 4.881 -4.628 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.118 5.565 -4.687 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.472 4.679 -6.089 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.694 9.568 -3.567 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.742 10.378 -2.364 1.00 0.00 C ATOM 1262 C GLU A 79 -8.334 9.544 -1.172 1.00 0.00 C ATOM 1263 O GLU A 79 -8.105 8.343 -1.303 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.145 10.931 -2.151 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.151 9.885 -1.714 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.552 10.435 -1.622 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.270 10.432 -2.643 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -12.944 10.877 -0.523 1.00 0.00 O ATOM 0 H GLU A 79 -9.244 8.710 -3.522 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.051 11.213 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.105 11.720 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.490 11.390 -3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.136 9.054 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.857 9.485 -0.744 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.216 10.174 -0.006 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.871 9.459 1.211 1.00 0.00 C ATOM 1277 C ASP A 80 -8.851 8.338 1.512 1.00 0.00 C ATOM 1278 O ASP A 80 -10.055 8.442 1.240 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.776 10.410 2.418 1.00 0.00 C ATOM 1280 CG ASP A 80 -9.117 10.966 2.862 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.693 11.798 2.130 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.592 10.581 3.953 1.00 0.00 O ATOM 0 H ASP A 80 -8.355 11.177 0.118 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.891 9.015 1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.318 9.879 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.114 11.239 2.166 1.00 0.00 H new ATOM 1287 N GLU A 81 -8.301 7.257 2.048 1.00 0.00 N ATOM 1288 CA GLU A 81 -9.030 6.072 2.460 1.00 0.00 C ATOM 1289 C GLU A 81 -9.408 5.206 1.267 1.00 0.00 C ATOM 1290 O GLU A 81 -10.310 4.364 1.349 1.00 0.00 O ATOM 1291 CB GLU A 81 -10.244 6.443 3.294 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.884 7.274 4.506 1.00 0.00 C ATOM 1293 CD GLU A 81 -9.173 6.483 5.583 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.585 5.333 5.858 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -8.213 7.019 6.176 1.00 0.00 O ATOM 0 H GLU A 81 -7.297 7.182 2.213 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.369 5.476 3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.950 6.996 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.749 5.533 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.249 8.103 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.792 7.708 4.923 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.713 5.405 0.153 1.00 0.00 N ATOM 1303 CA ASP A 82 -8.939 4.600 -1.048 1.00 0.00 C ATOM 1304 C ASP A 82 -8.622 3.132 -0.764 1.00 0.00 C ATOM 1305 O ASP A 82 -7.829 2.818 0.120 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.053 5.086 -2.195 1.00 0.00 C ATOM 1307 CG ASP A 82 -6.825 4.207 -2.381 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -5.901 4.295 -1.557 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -6.803 3.424 -3.339 1.00 0.00 O ATOM 0 H ASP A 82 -7.988 6.116 0.054 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.986 4.703 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.632 5.100 -3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.738 6.111 -2.000 1.00 0.00 H new ATOM 1314 N THR A 83 -9.287 2.230 -1.451 1.00 0.00 N ATOM 1315 CA THR A 83 -8.977 0.825 -1.319 1.00 0.00 C ATOM 1316 C THR A 83 -8.372 0.244 -2.607 1.00 0.00 C ATOM 1317 O THR A 83 -9.032 0.171 -3.650 1.00 0.00 O ATOM 1318 CB THR A 83 -10.230 0.036 -0.933 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.876 0.698 0.165 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.868 -1.384 -0.527 1.00 0.00 C ATOM 0 H THR A 83 -10.042 2.443 -2.103 1.00 0.00 H new ATOM 0 HA THR A 83 -8.231 0.733 -0.530 1.00 0.00 H new ATOM 0 HB THR A 83 -10.899 -0.011 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.681 0.201 0.419 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.774 -1.927 -0.257 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.378 -1.887 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.192 -1.357 0.328 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.112 -0.159 -2.521 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.411 -0.784 -3.626 1.00 0.00 C ATOM 1330 C ILE A 84 -6.780 -2.263 -3.686 1.00 0.00 C ATOM 1331 O ILE A 84 -6.948 -2.917 -2.649 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.863 -0.656 -3.472 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.437 0.813 -3.331 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.143 -1.306 -4.645 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.636 1.637 -4.583 1.00 0.00 C ATOM 0 H ILE A 84 -6.548 -0.060 -1.677 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.708 -0.275 -4.543 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.580 -1.181 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.002 1.267 -2.517 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.385 0.849 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.066 -1.203 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.403 -2.363 -4.691 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.443 -0.818 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.311 2.661 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.049 1.210 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.691 1.634 -4.856 1.00 0.00 H new ATOM 1347 N ASP A 85 -6.920 -2.788 -4.882 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.272 -4.186 -5.073 1.00 0.00 C ATOM 1349 C ASP A 85 -6.048 -5.017 -5.399 1.00 0.00 C ATOM 1350 O ASP A 85 -5.404 -4.805 -6.418 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.282 -4.333 -6.204 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.657 -3.834 -5.853 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.237 -4.332 -4.863 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -10.185 -2.973 -6.587 1.00 0.00 O ATOM 0 H ASP A 85 -6.795 -2.265 -5.749 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.709 -4.543 -4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.919 -3.790 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.347 -5.384 -6.487 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.709 -5.947 -4.533 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.587 -6.835 -4.784 1.00 0.00 C ATOM 1361 C VAL A 86 -5.061 -8.270 -4.944 1.00 0.00 C ATOM 1362 O VAL A 86 -5.873 -8.765 -4.154 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.536 -6.762 -3.660 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.376 -7.706 -3.935 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.032 -5.349 -3.515 1.00 0.00 C ATOM 0 H VAL A 86 -6.191 -6.110 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.119 -6.503 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.011 -7.070 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.649 -7.634 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.747 -8.729 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.900 -7.432 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.290 -5.308 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.577 -5.027 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.864 -4.689 -3.270 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.530 -8.949 -5.942 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.897 -10.325 -6.229 1.00 0.00 C ATOM 1377 C PHE A 87 -3.651 -11.145 -6.510 1.00 0.00 C ATOM 1378 O PHE A 87 -2.623 -10.602 -6.925 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.906 -10.409 -7.392 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.582 -9.532 -8.569 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.988 -8.209 -8.588 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.889 -10.028 -9.656 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.708 -7.399 -9.664 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.604 -9.223 -10.741 1.00 0.00 C ATOM 1385 CZ PHE A 87 -5.014 -7.905 -10.745 1.00 0.00 C ATOM 0 H PHE A 87 -3.832 -8.564 -6.578 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.393 -10.742 -5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.963 -11.443 -7.732 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.894 -10.141 -7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.532 -7.807 -7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.566 -11.059 -9.657 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.031 -6.368 -9.663 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.062 -9.624 -11.585 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.793 -7.271 -11.591 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.720 -12.446 -6.265 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.561 -13.315 -6.413 1.00 0.00 C ATOM 1397 C GLN A 88 -2.272 -13.646 -7.881 1.00 0.00 C ATOM 1398 O GLN A 88 -3.106 -14.203 -8.588 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.772 -14.611 -5.623 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.485 -15.360 -5.309 1.00 0.00 C ATOM 1401 CD GLN A 88 -0.890 -14.989 -3.956 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -1.132 -13.770 -3.507 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 -0.224 -15.800 -3.321 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.569 -12.924 -5.962 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.699 -12.777 -6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.281 -14.376 -4.688 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.433 -15.267 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.681 -16.432 -5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.753 -15.154 -6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.058 -16.732 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.164 -15.542 -2.414 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.082 -13.292 -8.325 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.624 -13.583 -9.680 1.00 0.00 C ATOM 1414 C GLN A 89 0.479 -14.629 -9.661 1.00 0.00 C ATOM 1415 O GLN A 89 1.230 -14.766 -10.619 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.111 -12.318 -10.355 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.189 -11.312 -10.691 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.206 -11.840 -11.676 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.035 -11.724 -12.889 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -3.276 -12.395 -11.164 1.00 0.00 N ATOM 0 H GLN A 89 -0.398 -12.792 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.472 -13.971 -10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.622 -11.844 -9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.410 -12.595 -11.272 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.699 -11.016 -9.775 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.725 -10.415 -11.102 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.377 -12.471 -10.152 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.009 -12.752 -11.777 1.00 0.00 H new