USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 697 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 102 HIS : no HE2:sc= -2.15! C(o=-2.1!,f=-9.6!) USER MOD Set 1.2: A 107 GLN :FLIP amide:sc= 0 F(o=-3.5!,f=-2.1) USER MOD Set 2.1: A 88 SER OG : rot 84:sc= -1.96! USER MOD Set 2.2: A 89 HIS : no HE2:sc= -1.67! C(o=-5.3!,f=-24!) USER MOD Set 2.3: A 187 SER OG : rot -174:sc= -1.65! USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -3.97! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.0078 (180deg=-0.226) USER MOD Single : A 92 LYS NZ :NH3+ -160:sc= -0.284 (180deg=-1.16!) USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= -1.09 (180deg=-1.87) USER MOD Single : A 103 SER OG : rot 111:sc= 0.172 USER MOD Single : A 104 GLN : amide:sc= -2.12! C(o=-2.1!,f=-2.6!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-3!) USER MOD Single : A 117 THR OG1 : rot -121:sc= 0.542 USER MOD Single : A 118 GLN :FLIP amide:sc= -1.73 F(o=-2.8,f=-1.7) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0.724 K(o=0.72,f=-1.3!) USER MOD Single : A 126 ASN :FLIP amide:sc= -3.95! C(o=-5.8!,f=-3.9!) USER MOD Single : A 127 TYR OH : rot 130:sc= 0.0828 USER MOD Single : A 128 THR OG1 : rot 29:sc= 0.197 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -136:sc= 1.32 USER MOD Single : A 142 CYS SG : rot -11:sc= -8.18! USER MOD Single : A 143 TYR OH : rot -73:sc= -0.197 USER MOD Single : A 144 LYS NZ :NH3+ -113:sc= -1.73 (180deg=-2.85!) USER MOD Single : A 192 HIS : no HD1:sc= -0.389 K(o=-0.39,f=-1.2) USER MOD Single : A 193 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-3.2!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.852 -0.922 -8.249 1.00 1.04 N ATOM 275 CA VAL A 74 20.007 -1.597 -7.590 1.00 0.93 C ATOM 276 C VAL A 74 19.875 -3.104 -7.867 1.00 0.86 C ATOM 277 O VAL A 74 18.787 -3.574 -8.139 1.00 0.89 O ATOM 278 CB VAL A 74 19.951 -1.308 -6.069 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.516 0.142 -5.842 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.953 -2.251 -5.374 1.00 1.38 C ATOM 0 HA VAL A 74 20.961 -1.234 -7.973 1.00 0.93 H new ATOM 0 HB VAL A 74 20.942 -1.472 -5.647 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.476 0.347 -4.772 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.232 0.815 -6.314 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.529 0.298 -6.278 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.928 -2.032 -4.307 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.959 -2.105 -5.797 1.00 1.38 H new ATOM 0 HG23 VAL A 74 19.264 -3.285 -5.525 1.00 1.38 H new ATOM 290 N PRO A 75 20.951 -3.859 -7.808 1.00 0.93 N ATOM 291 CA PRO A 75 20.908 -5.325 -8.065 1.00 1.00 C ATOM 292 C PRO A 75 19.588 -5.952 -7.602 1.00 0.88 C ATOM 293 O PRO A 75 19.217 -5.878 -6.448 1.00 0.84 O ATOM 294 CB PRO A 75 22.094 -5.830 -7.255 1.00 1.18 C ATOM 295 CG PRO A 75 23.114 -4.742 -7.395 1.00 1.37 C ATOM 296 CD PRO A 75 22.327 -3.421 -7.503 1.00 1.13 C ATOM 0 HA PRO A 75 20.964 -5.581 -9.123 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.825 -5.994 -6.212 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.466 -6.779 -7.641 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.785 -4.726 -6.536 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.732 -4.900 -8.279 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.370 -2.852 -6.574 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.727 -2.780 -8.288 1.00 1.13 H new ATOM 304 N LEU A 76 18.861 -6.527 -8.518 1.00 0.86 N ATOM 305 CA LEU A 76 17.535 -7.121 -8.180 1.00 0.77 C ATOM 306 C LEU A 76 17.672 -8.208 -7.114 1.00 0.77 C ATOM 307 O LEU A 76 18.486 -9.106 -7.214 1.00 0.85 O ATOM 308 CB LEU A 76 16.911 -7.720 -9.448 1.00 0.84 C ATOM 309 CG LEU A 76 16.582 -6.606 -10.457 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.237 -7.241 -11.810 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.382 -5.770 -9.972 1.00 0.76 C ATOM 0 H LEU A 76 19.131 -6.612 -9.498 1.00 0.86 H new ATOM 0 HA LEU A 76 16.895 -6.334 -7.782 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.599 -8.436 -9.897 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.004 -8.268 -9.192 1.00 0.84 H new ATOM 0 HG LEU A 76 17.449 -5.952 -10.554 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.003 -6.457 -12.530 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.088 -7.820 -12.168 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.375 -7.897 -11.694 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.166 -4.988 -10.700 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.510 -6.415 -9.862 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.620 -5.315 -9.010 1.00 0.76 H new ATOM 323 N ARG A 77 16.854 -8.126 -6.092 1.00 0.74 N ATOM 324 CA ARG A 77 16.878 -9.137 -4.992 1.00 0.79 C ATOM 325 C ARG A 77 15.432 -9.595 -4.745 1.00 0.71 C ATOM 326 O ARG A 77 14.503 -8.848 -4.977 1.00 0.73 O ATOM 327 CB ARG A 77 17.433 -8.481 -3.721 1.00 0.85 C ATOM 328 CG ARG A 77 18.960 -8.325 -3.839 1.00 1.19 C ATOM 329 CD ARG A 77 19.659 -9.692 -3.742 1.00 1.52 C ATOM 330 NE ARG A 77 20.992 -9.513 -3.087 1.00 2.13 N ATOM 331 CZ ARG A 77 21.856 -8.645 -3.540 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.659 -8.056 -4.688 1.00 2.73 N ATOM 333 NH2 ARG A 77 22.947 -8.406 -2.864 1.00 3.61 N ATOM 0 H ARG A 77 16.160 -7.388 -5.974 1.00 0.74 H new ATOM 0 HA ARG A 77 17.506 -9.987 -5.259 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.969 -7.506 -3.572 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.186 -9.088 -2.850 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.209 -7.851 -4.788 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.325 -7.668 -3.049 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.048 -10.387 -3.167 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.783 -10.123 -4.736 1.00 1.52 H new ATOM 0 HE ARG A 77 21.230 -10.079 -2.272 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.827 -8.273 -5.236 1.00 2.73 H new ATOM 0 HH12 ARG A 77 22.337 -7.379 -5.037 1.00 2.73 H new ATOM 0 HH21 ARG A 77 23.121 -8.896 -1.987 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.625 -7.729 -3.213 1.00 3.61 H new ATOM 347 N PRO A 78 15.229 -10.804 -4.287 1.00 0.79 N ATOM 348 CA PRO A 78 13.856 -11.331 -4.021 1.00 0.76 C ATOM 349 C PRO A 78 13.193 -10.637 -2.823 1.00 0.67 C ATOM 350 O PRO A 78 13.833 -10.333 -1.836 1.00 0.69 O ATOM 351 CB PRO A 78 14.086 -12.827 -3.737 1.00 0.86 C ATOM 352 CG PRO A 78 15.499 -12.915 -3.255 1.00 1.18 C ATOM 353 CD PRO A 78 16.266 -11.802 -3.975 1.00 1.06 C ATOM 0 HA PRO A 78 13.180 -11.154 -4.857 1.00 0.76 H new ATOM 0 HB2 PRO A 78 13.389 -13.198 -2.986 1.00 0.86 H new ATOM 0 HB3 PRO A 78 13.937 -13.427 -4.635 1.00 0.86 H new ATOM 0 HG2 PRO A 78 15.550 -12.787 -2.174 1.00 1.18 H new ATOM 0 HG3 PRO A 78 15.927 -13.892 -3.481 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.048 -11.382 -3.343 1.00 1.06 H new ATOM 0 HD3 PRO A 78 16.751 -12.171 -4.879 1.00 1.06 H new ATOM 361 N MET A 79 11.912 -10.389 -2.906 1.00 0.65 N ATOM 362 CA MET A 79 11.202 -9.719 -1.779 1.00 0.61 C ATOM 363 C MET A 79 11.241 -10.632 -0.555 1.00 0.51 C ATOM 364 O MET A 79 10.642 -11.689 -0.536 1.00 0.56 O ATOM 365 CB MET A 79 9.745 -9.454 -2.186 1.00 0.66 C ATOM 366 CG MET A 79 8.984 -8.780 -1.038 1.00 0.74 C ATOM 367 SD MET A 79 9.749 -7.184 -0.651 1.00 1.25 S ATOM 368 CE MET A 79 8.700 -6.161 -1.711 1.00 0.83 C ATOM 0 H MET A 79 11.327 -10.623 -3.708 1.00 0.65 H new ATOM 0 HA MET A 79 11.686 -8.772 -1.541 1.00 0.61 H new ATOM 0 HB2 MET A 79 9.718 -8.819 -3.071 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.258 -10.392 -2.452 1.00 0.66 H new ATOM 0 HG2 MET A 79 7.940 -8.636 -1.316 1.00 0.74 H new ATOM 0 HG3 MET A 79 8.993 -9.422 -0.157 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.003 -5.118 -1.625 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.803 -6.485 -2.747 1.00 0.83 H new ATOM 0 HE3 MET A 79 7.660 -6.263 -1.401 1.00 0.83 H new ATOM 378 N THR A 80 11.948 -10.238 0.468 1.00 0.56 N ATOM 379 CA THR A 80 12.031 -11.088 1.688 1.00 0.60 C ATOM 380 C THR A 80 10.860 -10.799 2.609 1.00 0.56 C ATOM 381 O THR A 80 10.541 -9.660 2.879 1.00 0.50 O ATOM 382 CB THR A 80 13.343 -10.803 2.422 1.00 0.77 C ATOM 383 OG1 THR A 80 13.329 -9.481 2.934 1.00 0.94 O ATOM 384 CG2 THR A 80 14.513 -10.963 1.451 1.00 0.73 C ATOM 0 H THR A 80 12.472 -9.364 0.511 1.00 0.56 H new ATOM 0 HA THR A 80 11.998 -12.137 1.392 1.00 0.60 H new ATOM 0 HB THR A 80 13.455 -11.506 3.248 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.170 -9.304 3.405 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.449 -10.760 1.972 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.527 -11.981 1.063 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.399 -10.261 0.625 1.00 0.73 H new ATOM 392 N TYR A 81 10.229 -11.825 3.129 1.00 0.61 N ATOM 393 CA TYR A 81 9.106 -11.589 4.077 1.00 0.60 C ATOM 394 C TYR A 81 9.642 -10.590 5.103 1.00 0.51 C ATOM 395 O TYR A 81 8.982 -9.649 5.493 1.00 0.45 O ATOM 396 CB TYR A 81 8.711 -12.936 4.739 1.00 0.69 C ATOM 397 CG TYR A 81 8.411 -12.758 6.215 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.215 -12.157 6.619 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.336 -13.189 7.173 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.944 -11.984 7.982 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.067 -13.019 8.536 1.00 0.77 C ATOM 402 CZ TYR A 81 7.870 -12.416 8.941 1.00 0.73 C ATOM 403 OH TYR A 81 7.602 -12.245 10.283 1.00 0.90 O ATOM 0 H TYR A 81 10.443 -12.804 2.938 1.00 0.61 H new ATOM 0 HA TYR A 81 8.212 -11.197 3.593 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.837 -13.349 4.235 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.520 -13.656 4.614 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.500 -11.826 5.880 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.259 -13.654 6.860 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.021 -11.518 8.294 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.782 -13.352 9.274 1.00 0.77 H new ATOM 0 HH TYR A 81 8.346 -12.600 10.813 1.00 0.90 H new ATOM 413 N LYS A 82 10.871 -10.784 5.486 1.00 0.52 N ATOM 414 CA LYS A 82 11.516 -9.848 6.431 1.00 0.48 C ATOM 415 C LYS A 82 11.549 -8.456 5.795 1.00 0.40 C ATOM 416 O LYS A 82 11.390 -7.459 6.470 1.00 0.38 O ATOM 417 CB LYS A 82 12.944 -10.315 6.723 1.00 0.55 C ATOM 418 CG LYS A 82 13.479 -9.580 7.954 1.00 0.60 C ATOM 419 CD LYS A 82 14.862 -10.125 8.320 1.00 0.92 C ATOM 420 CE LYS A 82 15.246 -9.643 9.722 1.00 1.49 C ATOM 421 NZ LYS A 82 15.292 -8.153 9.741 1.00 2.32 N ATOM 0 H LYS A 82 11.458 -11.560 5.179 1.00 0.52 H new ATOM 0 HA LYS A 82 10.956 -9.817 7.365 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.958 -11.391 6.894 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.585 -10.120 5.863 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.541 -8.511 7.753 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.794 -9.708 8.792 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.856 -11.214 8.287 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.601 -9.789 7.593 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.523 -10.004 10.453 1.00 1.49 H new ATOM 0 HE3 LYS A 82 16.216 -10.051 10.005 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.790 -7.832 10.596 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 15.796 -7.810 8.898 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 14.323 -7.776 9.742 1.00 2.32 H new ATOM 435 N ALA A 83 11.754 -8.368 4.495 1.00 0.42 N ATOM 436 CA ALA A 83 11.787 -7.009 3.869 1.00 0.41 C ATOM 437 C ALA A 83 10.399 -6.361 3.967 1.00 0.35 C ATOM 438 O ALA A 83 10.276 -5.160 4.101 1.00 0.34 O ATOM 439 CB ALA A 83 12.220 -7.101 2.398 1.00 0.52 C ATOM 0 H ALA A 83 11.895 -9.155 3.861 1.00 0.42 H new ATOM 0 HA ALA A 83 12.512 -6.395 4.404 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.238 -6.103 1.961 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.216 -7.541 2.339 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.514 -7.725 1.849 1.00 0.52 H new ATOM 445 N ALA A 84 9.356 -7.145 3.910 1.00 0.34 N ATOM 446 CA ALA A 84 7.983 -6.569 4.008 1.00 0.31 C ATOM 447 C ALA A 84 7.800 -5.926 5.384 1.00 0.28 C ATOM 448 O ALA A 84 7.411 -4.780 5.500 1.00 0.28 O ATOM 449 CB ALA A 84 6.951 -7.684 3.825 1.00 0.34 C ATOM 0 H ALA A 84 9.395 -8.158 3.800 1.00 0.34 H new ATOM 0 HA ALA A 84 7.846 -5.815 3.233 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.947 -7.266 3.896 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.083 -8.145 2.846 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.087 -8.436 4.602 1.00 0.34 H new ATOM 455 N VAL A 85 8.076 -6.657 6.429 1.00 0.29 N ATOM 456 CA VAL A 85 7.916 -6.090 7.799 1.00 0.29 C ATOM 457 C VAL A 85 8.879 -4.914 7.978 1.00 0.29 C ATOM 458 O VAL A 85 8.499 -3.864 8.452 1.00 0.30 O ATOM 459 CB VAL A 85 8.214 -7.182 8.837 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.611 -6.802 10.192 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.594 -8.500 8.367 1.00 0.38 C ATOM 0 H VAL A 85 8.405 -7.622 6.394 1.00 0.29 H new ATOM 0 HA VAL A 85 6.895 -5.736 7.937 1.00 0.29 H new ATOM 0 HB VAL A 85 9.294 -7.289 8.943 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.829 -7.584 10.919 1.00 0.37 H new ATOM 0 HG12 VAL A 85 8.043 -5.860 10.531 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.531 -6.691 10.091 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.801 -9.281 9.099 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.516 -8.378 8.262 1.00 0.38 H new ATOM 0 HG23 VAL A 85 8.023 -8.781 7.405 1.00 0.38 H new ATOM 471 N ASP A 86 10.114 -5.066 7.593 1.00 0.30 N ATOM 472 CA ASP A 86 11.062 -3.929 7.743 1.00 0.32 C ATOM 473 C ASP A 86 10.519 -2.740 6.951 1.00 0.30 C ATOM 474 O ASP A 86 10.434 -1.634 7.447 1.00 0.31 O ATOM 475 CB ASP A 86 12.438 -4.322 7.193 1.00 0.36 C ATOM 476 CG ASP A 86 13.161 -5.224 8.196 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.675 -6.317 8.438 1.00 1.05 O ATOM 478 OD2 ASP A 86 14.189 -4.808 8.703 1.00 1.23 O ATOM 0 H ASP A 86 10.504 -5.916 7.186 1.00 0.30 H new ATOM 0 HA ASP A 86 11.164 -3.668 8.796 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.324 -4.840 6.241 1.00 0.36 H new ATOM 0 HB3 ASP A 86 13.031 -3.428 7.001 1.00 0.36 H new ATOM 483 N LEU A 87 10.141 -2.962 5.723 1.00 0.29 N ATOM 484 CA LEU A 87 9.595 -1.848 4.897 1.00 0.30 C ATOM 485 C LEU A 87 8.308 -1.315 5.527 1.00 0.29 C ATOM 486 O LEU A 87 8.057 -0.126 5.525 1.00 0.30 O ATOM 487 CB LEU A 87 9.298 -2.351 3.476 1.00 0.33 C ATOM 488 CG LEU A 87 9.028 -1.156 2.535 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.349 -0.577 2.015 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.188 -1.614 1.337 1.00 0.44 C ATOM 0 H LEU A 87 10.186 -3.867 5.255 1.00 0.29 H new ATOM 0 HA LEU A 87 10.333 -1.047 4.851 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.141 -2.933 3.104 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.434 -3.015 3.490 1.00 0.33 H new ATOM 0 HG LEU A 87 8.491 -0.392 3.097 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.142 0.264 1.353 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.953 -0.237 2.856 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.892 -1.346 1.465 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.002 -0.766 0.678 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.726 -2.388 0.790 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.238 -2.014 1.691 1.00 0.44 H new ATOM 502 N SER A 88 7.479 -2.176 6.055 1.00 0.30 N ATOM 503 CA SER A 88 6.209 -1.692 6.661 1.00 0.34 C ATOM 504 C SER A 88 6.491 -0.597 7.690 1.00 0.33 C ATOM 505 O SER A 88 5.960 0.493 7.607 1.00 0.36 O ATOM 506 CB SER A 88 5.491 -2.852 7.348 1.00 0.40 C ATOM 507 OG SER A 88 6.218 -3.230 8.508 1.00 0.44 O ATOM 0 H SER A 88 7.626 -3.185 6.092 1.00 0.30 H new ATOM 0 HA SER A 88 5.581 -1.284 5.869 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.477 -2.558 7.619 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.406 -3.698 6.666 1.00 0.40 H new ATOM 0 HG SER A 88 5.968 -2.647 9.255 1.00 0.44 H new ATOM 513 N HIS A 89 7.305 -0.875 8.669 1.00 0.34 N ATOM 514 CA HIS A 89 7.589 0.156 9.703 1.00 0.36 C ATOM 515 C HIS A 89 8.484 1.249 9.123 1.00 0.36 C ATOM 516 O HIS A 89 8.478 2.372 9.587 1.00 0.41 O ATOM 517 CB HIS A 89 8.285 -0.492 10.904 1.00 0.41 C ATOM 518 CG HIS A 89 7.431 -1.607 11.441 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.139 -2.740 10.698 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.800 -1.778 12.649 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.365 -3.534 11.460 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.128 -2.995 12.659 1.00 0.82 N ATOM 0 H HIS A 89 7.783 -1.767 8.797 1.00 0.34 H new ATOM 0 HA HIS A 89 6.647 0.600 10.026 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.260 -0.878 10.607 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.460 0.252 11.681 1.00 0.41 H new ATOM 0 HD1 HIS A 89 7.453 -2.936 9.748 1.00 1.43 H new ATOM 0 HD2 HIS A 89 6.822 -1.074 13.467 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.981 -4.492 11.141 1.00 1.27 H new ATOM 530 N PHE A 90 9.250 0.946 8.110 1.00 0.34 N ATOM 531 CA PHE A 90 10.123 1.996 7.526 1.00 0.37 C ATOM 532 C PHE A 90 9.246 3.154 7.049 1.00 0.40 C ATOM 533 O PHE A 90 9.373 4.274 7.502 1.00 0.47 O ATOM 534 CB PHE A 90 10.904 1.413 6.345 1.00 0.38 C ATOM 535 CG PHE A 90 11.938 2.416 5.882 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.047 2.700 6.689 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.788 3.066 4.649 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.002 3.632 6.264 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.743 3.997 4.225 1.00 0.70 C ATOM 540 CZ PHE A 90 13.851 4.280 5.032 1.00 0.72 C ATOM 0 H PHE A 90 9.307 0.028 7.668 1.00 0.34 H new ATOM 0 HA PHE A 90 10.830 2.354 8.275 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.390 0.483 6.640 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.224 1.172 5.528 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.166 2.200 7.639 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.934 2.848 4.025 1.00 0.59 H new ATOM 0 HE1 PHE A 90 14.856 3.851 6.887 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.625 4.497 3.275 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.589 4.998 4.705 1.00 0.72 H new ATOM 550 N LEU A 91 8.352 2.885 6.140 1.00 0.37 N ATOM 551 CA LEU A 91 7.455 3.956 5.625 1.00 0.42 C ATOM 552 C LEU A 91 6.625 4.548 6.770 1.00 0.47 C ATOM 553 O LEU A 91 6.226 5.694 6.723 1.00 0.57 O ATOM 554 CB LEU A 91 6.505 3.368 4.577 1.00 0.41 C ATOM 555 CG LEU A 91 7.302 2.655 3.480 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.338 1.839 2.616 1.00 0.42 C ATOM 557 CD2 LEU A 91 8.032 3.684 2.605 1.00 0.54 C ATOM 0 H LEU A 91 8.203 1.963 5.729 1.00 0.37 H new ATOM 0 HA LEU A 91 8.066 4.740 5.178 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.818 2.667 5.051 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.899 4.161 4.139 1.00 0.41 H new ATOM 0 HG LEU A 91 8.040 1.996 3.938 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.896 1.328 1.832 1.00 0.42 H new ATOM 0 HD12 LEU A 91 5.827 1.103 3.237 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.603 2.504 2.163 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.595 3.167 1.828 1.00 0.54 H new ATOM 0 HD22 LEU A 91 7.304 4.350 2.142 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.716 4.267 3.222 1.00 0.54 H new ATOM 569 N LYS A 92 6.346 3.784 7.790 1.00 0.45 N ATOM 570 CA LYS A 92 5.526 4.330 8.907 1.00 0.53 C ATOM 571 C LYS A 92 6.241 5.525 9.542 1.00 0.63 C ATOM 572 O LYS A 92 5.612 6.446 10.024 1.00 0.85 O ATOM 573 CB LYS A 92 5.310 3.240 9.959 1.00 0.54 C ATOM 574 CG LYS A 92 4.521 3.812 11.142 1.00 0.73 C ATOM 575 CD LYS A 92 3.930 2.665 11.966 1.00 1.20 C ATOM 576 CE LYS A 92 3.303 3.213 13.251 1.00 1.61 C ATOM 577 NZ LYS A 92 4.290 4.066 13.968 1.00 2.27 N ATOM 0 H LYS A 92 6.647 2.815 7.898 1.00 0.45 H new ATOM 0 HA LYS A 92 4.562 4.658 8.519 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.770 2.401 9.521 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.271 2.857 10.302 1.00 0.54 H new ATOM 0 HG2 LYS A 92 5.173 4.423 11.766 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.724 4.462 10.781 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.177 2.136 11.381 1.00 1.20 H new ATOM 0 HD3 LYS A 92 4.709 1.943 12.211 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.412 3.793 13.013 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.986 2.390 13.892 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 4.010 4.157 14.965 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 5.232 3.629 13.911 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 4.318 5.008 13.529 1.00 2.27 H new ATOM 591 N GLU A 93 7.545 5.527 9.543 1.00 0.62 N ATOM 592 CA GLU A 93 8.278 6.671 10.145 1.00 0.76 C ATOM 593 C GLU A 93 8.165 7.888 9.229 1.00 0.77 C ATOM 594 O GLU A 93 7.341 8.759 9.422 1.00 1.05 O ATOM 595 CB GLU A 93 9.755 6.313 10.307 1.00 0.94 C ATOM 596 CG GLU A 93 9.923 5.258 11.403 1.00 1.22 C ATOM 597 CD GLU A 93 11.353 4.715 11.359 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.214 5.316 11.980 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.563 3.710 10.699 1.00 2.73 O ATOM 0 H GLU A 93 8.131 4.788 9.154 1.00 0.62 H new ATOM 0 HA GLU A 93 7.845 6.896 11.120 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.151 5.936 9.364 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.328 7.205 10.559 1.00 0.94 H new ATOM 0 HG2 GLU A 93 9.716 5.694 12.380 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.208 4.448 11.258 1.00 1.22 H new ATOM 606 N LYS A 94 9.011 7.952 8.239 1.00 0.80 N ATOM 607 CA LYS A 94 8.995 9.112 7.299 1.00 1.02 C ATOM 608 C LYS A 94 7.875 8.959 6.264 1.00 0.96 C ATOM 609 O LYS A 94 7.208 9.914 5.917 1.00 1.41 O ATOM 610 CB LYS A 94 10.352 9.211 6.585 1.00 1.39 C ATOM 611 CG LYS A 94 10.680 7.889 5.867 1.00 1.63 C ATOM 612 CD LYS A 94 12.199 7.745 5.701 1.00 2.18 C ATOM 613 CE LYS A 94 12.760 8.965 4.968 1.00 2.61 C ATOM 614 NZ LYS A 94 11.852 9.335 3.846 1.00 2.96 N ATOM 0 H LYS A 94 9.719 7.246 8.038 1.00 0.80 H new ATOM 0 HA LYS A 94 8.812 10.022 7.871 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.332 10.028 5.864 1.00 1.39 H new ATOM 0 HB3 LYS A 94 11.134 9.443 7.308 1.00 1.39 H new ATOM 0 HG2 LYS A 94 10.287 7.048 6.438 1.00 1.63 H new ATOM 0 HG3 LYS A 94 10.195 7.866 4.891 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.673 7.647 6.678 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.428 6.837 5.143 1.00 2.18 H new ATOM 0 HE2 LYS A 94 12.861 9.802 5.659 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.757 8.745 4.585 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 12.403 9.785 3.087 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 11.389 8.480 3.478 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 11.129 9.999 4.189 1.00 2.96 H new ATOM 628 N GLY A 95 7.668 7.777 5.755 1.00 1.12 N ATOM 629 CA GLY A 95 6.600 7.586 4.730 1.00 1.51 C ATOM 630 C GLY A 95 5.282 8.202 5.214 1.00 1.10 C ATOM 631 O GLY A 95 4.925 9.297 4.829 1.00 1.71 O ATOM 0 H GLY A 95 8.190 6.936 6.002 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.902 8.048 3.790 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.462 6.523 4.533 1.00 1.51 H new ATOM 635 N GLY A 96 4.551 7.509 6.046 1.00 1.17 N ATOM 636 CA GLY A 96 3.252 8.060 6.537 1.00 0.99 C ATOM 637 C GLY A 96 2.137 7.692 5.552 1.00 0.81 C ATOM 638 O GLY A 96 1.317 8.511 5.189 1.00 0.83 O ATOM 0 H GLY A 96 4.796 6.587 6.407 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.025 7.660 7.525 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.319 9.143 6.639 1.00 0.99 H new ATOM 642 N LEU A 97 2.105 6.461 5.119 1.00 0.67 N ATOM 643 CA LEU A 97 1.051 6.023 4.162 1.00 0.55 C ATOM 644 C LEU A 97 -0.228 5.715 4.943 1.00 0.46 C ATOM 645 O LEU A 97 -1.323 5.800 4.422 1.00 0.49 O ATOM 646 CB LEU A 97 1.543 4.761 3.433 1.00 0.54 C ATOM 647 CG LEU A 97 0.546 4.328 2.338 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.809 5.110 1.040 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.716 2.826 2.064 1.00 0.66 C ATOM 0 H LEU A 97 2.769 5.735 5.390 1.00 0.67 H new ATOM 0 HA LEU A 97 0.845 6.806 3.432 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.518 4.953 2.986 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.675 3.951 4.150 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.468 4.534 2.680 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.099 4.795 0.275 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.691 6.177 1.228 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.824 4.913 0.696 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.013 2.515 1.291 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.735 2.630 1.729 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.521 2.265 2.978 1.00 0.66 H new ATOM 661 N GLU A 98 -0.100 5.365 6.193 1.00 0.44 N ATOM 662 CA GLU A 98 -1.305 5.058 7.010 1.00 0.40 C ATOM 663 C GLU A 98 -2.363 6.142 6.806 1.00 0.40 C ATOM 664 O GLU A 98 -2.069 7.318 6.719 1.00 0.58 O ATOM 665 CB GLU A 98 -0.917 5.009 8.493 1.00 0.49 C ATOM 666 CG GLU A 98 -2.176 4.921 9.368 1.00 0.48 C ATOM 667 CD GLU A 98 -1.780 4.588 10.806 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.593 4.498 11.067 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.674 4.430 11.623 1.00 1.94 O ATOM 0 H GLU A 98 0.790 5.278 6.684 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.709 4.094 6.700 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.274 4.149 8.680 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.344 5.898 8.756 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.718 5.866 9.339 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.848 4.156 8.979 1.00 0.48 H new ATOM 676 N GLY A 99 -3.596 5.740 6.770 1.00 0.39 N ATOM 677 CA GLY A 99 -4.711 6.712 6.616 1.00 0.42 C ATOM 678 C GLY A 99 -4.609 7.503 5.300 1.00 0.42 C ATOM 679 O GLY A 99 -5.440 8.340 5.020 1.00 0.46 O ATOM 0 H GLY A 99 -3.886 4.765 6.842 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.662 6.180 6.647 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.706 7.405 7.457 1.00 0.42 H new ATOM 683 N LEU A 100 -3.616 7.256 4.485 1.00 0.41 N ATOM 684 CA LEU A 100 -3.523 8.024 3.202 1.00 0.43 C ATOM 685 C LEU A 100 -4.606 7.508 2.248 1.00 0.42 C ATOM 686 O LEU A 100 -4.578 6.373 1.817 1.00 0.44 O ATOM 687 CB LEU A 100 -2.133 7.840 2.577 1.00 0.45 C ATOM 688 CG LEU A 100 -1.869 8.922 1.511 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.739 10.316 2.160 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.565 8.581 0.777 1.00 1.17 C ATOM 0 H LEU A 100 -2.878 6.570 4.645 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.673 9.087 3.392 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.370 7.893 3.353 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.060 6.851 2.125 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.707 8.945 0.815 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.553 11.061 1.387 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.662 10.560 2.685 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.910 10.312 2.867 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.365 9.339 0.019 1.00 1.17 H new ATOM 0 HD22 LEU A 100 0.258 8.556 1.491 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -0.661 7.606 0.299 1.00 1.17 H new ATOM 702 N ILE A 101 -5.582 8.323 1.947 1.00 0.44 N ATOM 703 CA ILE A 101 -6.692 7.870 1.058 1.00 0.45 C ATOM 704 C ILE A 101 -6.180 7.555 -0.356 1.00 0.46 C ATOM 705 O ILE A 101 -5.867 8.434 -1.133 1.00 0.49 O ATOM 706 CB ILE A 101 -7.793 8.951 1.042 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.658 8.824 2.323 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.684 8.823 -0.203 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.731 7.719 2.180 1.00 0.52 C ATOM 0 H ILE A 101 -5.659 9.284 2.279 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.114 6.943 1.447 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.314 9.929 1.013 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.016 8.600 3.175 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.143 9.778 2.531 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.449 9.599 -0.184 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.075 8.936 -1.100 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.161 7.843 -0.210 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.317 7.660 3.097 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.389 7.957 1.344 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.244 6.761 1.998 1.00 0.52 H new ATOM 721 N HIS A 102 -6.125 6.288 -0.689 1.00 0.47 N ATOM 722 CA HIS A 102 -5.668 5.872 -2.048 1.00 0.51 C ATOM 723 C HIS A 102 -6.677 6.388 -3.083 1.00 0.58 C ATOM 724 O HIS A 102 -7.766 5.858 -3.224 1.00 0.64 O ATOM 725 CB HIS A 102 -5.583 4.330 -2.090 1.00 0.57 C ATOM 726 CG HIS A 102 -5.633 3.810 -3.504 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.760 3.941 -4.300 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.722 3.113 -4.259 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.503 3.334 -5.471 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.274 2.813 -5.501 1.00 0.70 N ATOM 0 H HIS A 102 -6.380 5.519 -0.070 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.685 6.286 -2.274 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.659 4.003 -1.614 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.406 3.904 -1.516 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.627 4.413 -4.043 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.728 2.839 -3.938 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.206 3.275 -6.289 1.00 1.36 H new ATOM 738 N SER A 103 -6.317 7.425 -3.799 1.00 0.60 N ATOM 739 CA SER A 103 -7.234 7.993 -4.827 1.00 0.69 C ATOM 740 C SER A 103 -7.332 7.033 -6.014 1.00 0.76 C ATOM 741 O SER A 103 -8.352 6.414 -6.247 1.00 0.85 O ATOM 742 CB SER A 103 -6.690 9.338 -5.310 1.00 0.74 C ATOM 743 OG SER A 103 -5.350 9.172 -5.755 1.00 1.49 O ATOM 0 H SER A 103 -5.420 7.903 -3.712 1.00 0.60 H new ATOM 0 HA SER A 103 -8.222 8.134 -4.389 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.309 9.724 -6.120 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.729 10.070 -4.503 1.00 0.74 H new ATOM 0 HG SER A 103 -5.312 9.284 -6.728 1.00 1.49 H new ATOM 749 N GLN A 104 -6.276 6.913 -6.773 1.00 0.81 N ATOM 750 CA GLN A 104 -6.304 6.002 -7.950 1.00 0.92 C ATOM 751 C GLN A 104 -4.872 5.708 -8.407 1.00 0.93 C ATOM 752 O GLN A 104 -4.330 4.654 -8.143 1.00 1.37 O ATOM 753 CB GLN A 104 -7.090 6.670 -9.088 1.00 1.06 C ATOM 754 CG GLN A 104 -7.530 5.617 -10.109 1.00 1.76 C ATOM 755 CD GLN A 104 -6.302 5.046 -10.821 1.00 2.14 C ATOM 756 OE1 GLN A 104 -5.846 3.965 -10.500 1.00 2.64 O ATOM 757 NE2 GLN A 104 -5.743 5.733 -11.780 1.00 2.70 N ATOM 0 H GLN A 104 -5.396 7.407 -6.628 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.789 5.065 -7.677 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.962 7.185 -8.685 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.471 7.424 -9.575 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -8.077 4.818 -9.609 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -8.210 6.062 -10.836 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.126 6.639 -12.048 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -4.923 5.363 -12.261 1.00 2.70 H new ATOM 766 N ARG A 105 -4.255 6.629 -9.094 1.00 0.83 N ATOM 767 CA ARG A 105 -2.863 6.398 -9.573 1.00 0.87 C ATOM 768 C ARG A 105 -1.889 6.441 -8.390 1.00 0.74 C ATOM 769 O ARG A 105 -0.739 6.066 -8.507 1.00 0.70 O ATOM 770 CB ARG A 105 -2.491 7.485 -10.587 1.00 1.06 C ATOM 771 CG ARG A 105 -1.246 7.050 -11.366 1.00 1.71 C ATOM 772 CD ARG A 105 -0.841 8.136 -12.376 1.00 1.99 C ATOM 773 NE ARG A 105 -0.207 7.493 -13.569 1.00 2.86 N ATOM 774 CZ ARG A 105 0.716 6.575 -13.429 1.00 3.60 C ATOM 775 NH1 ARG A 105 1.269 6.360 -12.268 1.00 3.73 N ATOM 776 NH2 ARG A 105 1.138 5.915 -14.472 1.00 4.61 N ATOM 0 H ARG A 105 -4.655 7.533 -9.345 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.801 5.418 -10.047 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.321 7.657 -11.273 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.301 8.427 -10.073 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -0.424 6.862 -10.675 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.444 6.114 -11.888 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -1.716 8.710 -12.680 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -0.145 8.837 -11.914 1.00 1.99 H new ATOM 0 HE ARG A 105 -0.498 7.774 -14.505 1.00 2.86 H new ATOM 0 HH11 ARG A 105 0.983 6.910 -11.458 1.00 3.73 H new ATOM 0 HH12 ARG A 105 1.987 5.642 -12.170 1.00 3.73 H new ATOM 0 HH21 ARG A 105 0.749 6.115 -15.394 1.00 4.61 H new ATOM 0 HH22 ARG A 105 1.857 5.199 -14.366 1.00 4.61 H new ATOM 790 N ARG A 106 -2.333 6.891 -7.251 1.00 0.71 N ATOM 791 CA ARG A 106 -1.420 6.954 -6.075 1.00 0.65 C ATOM 792 C ARG A 106 -0.800 5.576 -5.833 1.00 0.54 C ATOM 793 O ARG A 106 0.283 5.457 -5.296 1.00 0.50 O ATOM 794 CB ARG A 106 -2.213 7.376 -4.833 1.00 0.70 C ATOM 795 CG ARG A 106 -1.241 7.804 -3.721 1.00 1.01 C ATOM 796 CD ARG A 106 -0.722 9.239 -3.968 1.00 1.24 C ATOM 797 NE ARG A 106 -1.351 10.172 -2.993 1.00 1.86 N ATOM 798 CZ ARG A 106 -0.825 11.347 -2.792 1.00 2.48 C ATOM 799 NH1 ARG A 106 0.265 11.687 -3.425 1.00 2.86 N ATOM 800 NH2 ARG A 106 -1.382 12.181 -1.957 1.00 3.29 N ATOM 0 H ARG A 106 -3.285 7.217 -7.083 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.631 7.680 -6.270 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.884 8.199 -5.080 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.835 6.550 -4.488 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.743 7.755 -2.755 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.401 7.111 -3.679 1.00 1.01 H new ATOM 0 HD2 ARG A 106 0.363 9.267 -3.866 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -0.954 9.550 -4.986 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.190 9.893 -2.485 1.00 1.86 H new ATOM 0 HH11 ARG A 106 0.702 11.034 -4.075 1.00 2.86 H new ATOM 0 HH12 ARG A 106 0.679 12.606 -3.270 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -2.231 11.914 -1.460 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -0.968 13.100 -1.802 1.00 3.29 H new ATOM 814 N GLN A 107 -1.483 4.536 -6.221 1.00 0.55 N ATOM 815 CA GLN A 107 -0.944 3.163 -6.011 1.00 0.52 C ATOM 816 C GLN A 107 0.350 2.981 -6.815 1.00 0.49 C ATOM 817 O GLN A 107 1.353 2.529 -6.300 1.00 0.44 O ATOM 818 CB GLN A 107 -1.982 2.141 -6.475 1.00 0.63 C ATOM 819 CG GLN A 107 -1.633 0.763 -5.910 1.00 1.11 C ATOM 820 CD GLN A 107 -2.706 -0.243 -6.327 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.716 0.162 -7.048 1.00 2.13 O flip ATOM 822 NE2 GLN A 107 -2.627 -1.409 -5.991 1.00 2.12 N flip ATOM 0 H GLN A 107 -2.395 4.578 -6.676 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.728 3.016 -4.953 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.976 2.440 -6.143 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.008 2.103 -7.564 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.657 0.444 -6.277 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.565 0.810 -4.823 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -1.838 -1.725 -5.428 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.350 -2.071 -6.273 1.00 2.12 H new ATOM 831 N ASP A 108 0.335 3.325 -8.076 1.00 0.56 N ATOM 832 CA ASP A 108 1.564 3.164 -8.911 1.00 0.59 C ATOM 833 C ASP A 108 2.724 3.942 -8.285 1.00 0.54 C ATOM 834 O ASP A 108 3.829 3.448 -8.183 1.00 0.54 O ATOM 835 CB ASP A 108 1.309 3.705 -10.321 1.00 0.72 C ATOM 836 CG ASP A 108 0.138 2.955 -10.957 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.249 1.751 -11.120 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.848 3.601 -11.272 1.00 1.33 O ATOM 0 H ASP A 108 -0.474 3.710 -8.564 1.00 0.56 H new ATOM 0 HA ASP A 108 1.816 2.105 -8.962 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.089 4.772 -10.277 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.203 3.588 -10.933 1.00 0.72 H new ATOM 843 N ILE A 109 2.484 5.156 -7.875 1.00 0.55 N ATOM 844 CA ILE A 109 3.577 5.968 -7.265 1.00 0.54 C ATOM 845 C ILE A 109 4.316 5.137 -6.210 1.00 0.47 C ATOM 846 O ILE A 109 5.504 4.905 -6.319 1.00 0.53 O ATOM 847 CB ILE A 109 2.981 7.218 -6.613 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.014 7.902 -7.591 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.103 8.188 -6.237 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.705 8.149 -8.938 1.00 1.47 C ATOM 0 H ILE A 109 1.579 5.622 -7.935 1.00 0.55 H new ATOM 0 HA ILE A 109 4.282 6.265 -8.042 1.00 0.54 H new ATOM 0 HB ILE A 109 2.438 6.929 -5.713 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.132 7.279 -7.736 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.671 8.848 -7.172 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.675 9.077 -5.773 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.783 7.704 -5.536 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.651 8.475 -7.134 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.008 8.634 -9.621 1.00 1.47 H new ATOM 0 HD12 ILE A 109 3.573 8.791 -8.789 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.026 7.198 -9.362 1.00 1.47 H new ATOM 862 N LEU A 110 3.629 4.688 -5.193 1.00 0.43 N ATOM 863 CA LEU A 110 4.299 3.869 -4.136 1.00 0.39 C ATOM 864 C LEU A 110 5.176 2.799 -4.799 1.00 0.38 C ATOM 865 O LEU A 110 6.374 2.745 -4.598 1.00 0.38 O ATOM 866 CB LEU A 110 3.228 3.188 -3.269 1.00 0.42 C ATOM 867 CG LEU A 110 3.878 2.343 -2.157 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.618 3.250 -1.161 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.781 1.561 -1.422 1.00 0.66 C ATOM 0 H LEU A 110 2.633 4.852 -5.047 1.00 0.43 H new ATOM 0 HA LEU A 110 4.920 4.512 -3.513 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.579 3.943 -2.825 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.599 2.553 -3.893 1.00 0.42 H new ATOM 0 HG LEU A 110 4.596 1.654 -2.601 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.072 2.639 -0.381 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.395 3.807 -1.684 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.912 3.948 -0.711 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.230 0.959 -0.632 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.067 2.259 -0.985 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.265 0.909 -2.126 1.00 0.66 H new ATOM 881 N ASP A 111 4.576 1.944 -5.578 1.00 0.40 N ATOM 882 CA ASP A 111 5.342 0.859 -6.256 1.00 0.42 C ATOM 883 C ASP A 111 6.562 1.436 -6.980 1.00 0.43 C ATOM 884 O ASP A 111 7.643 0.883 -6.932 1.00 0.42 O ATOM 885 CB ASP A 111 4.434 0.176 -7.281 1.00 0.50 C ATOM 886 CG ASP A 111 3.074 -0.111 -6.646 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.050 -0.757 -5.610 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.079 0.322 -7.203 1.00 1.19 O ATOM 0 H ASP A 111 3.576 1.950 -5.777 1.00 0.40 H new ATOM 0 HA ASP A 111 5.680 0.143 -5.507 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.311 0.814 -8.156 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.890 -0.752 -7.625 1.00 0.50 H new ATOM 893 N LEU A 112 6.388 2.531 -7.664 1.00 0.48 N ATOM 894 CA LEU A 112 7.523 3.138 -8.415 1.00 0.52 C ATOM 895 C LEU A 112 8.630 3.559 -7.445 1.00 0.48 C ATOM 896 O LEU A 112 9.790 3.265 -7.653 1.00 0.47 O ATOM 897 CB LEU A 112 7.006 4.358 -9.185 1.00 0.60 C ATOM 898 CG LEU A 112 8.085 4.890 -10.147 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.110 4.064 -11.440 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.773 6.351 -10.495 1.00 1.26 C ATOM 0 H LEU A 112 5.504 3.035 -7.736 1.00 0.48 H new ATOM 0 HA LEU A 112 7.936 2.409 -9.112 1.00 0.52 H new ATOM 0 HB2 LEU A 112 6.112 4.088 -9.747 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.718 5.142 -8.484 1.00 0.60 H new ATOM 0 HG LEU A 112 9.057 4.815 -9.660 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.878 4.455 -12.107 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.331 3.023 -11.203 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.138 4.126 -11.930 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.534 6.733 -11.176 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.795 6.410 -10.973 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.768 6.949 -9.584 1.00 1.26 H new ATOM 912 N TRP A 113 8.290 4.237 -6.387 1.00 0.48 N ATOM 913 CA TRP A 113 9.339 4.660 -5.419 1.00 0.48 C ATOM 914 C TRP A 113 10.158 3.440 -5.009 1.00 0.43 C ATOM 915 O TRP A 113 11.374 3.458 -5.044 1.00 0.45 O ATOM 916 CB TRP A 113 8.669 5.290 -4.196 1.00 0.52 C ATOM 917 CG TRP A 113 9.689 5.590 -3.143 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.487 6.682 -3.114 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.020 4.809 -1.963 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.289 6.617 -1.987 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.037 5.480 -1.245 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.540 3.593 -1.452 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.557 4.961 -0.059 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.061 3.067 -0.261 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.067 3.751 0.436 1.00 0.67 C ATOM 0 H TRP A 113 7.338 4.516 -6.151 1.00 0.48 H new ATOM 0 HA TRP A 113 10.001 5.395 -5.876 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.155 6.206 -4.486 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.913 4.613 -3.798 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.497 7.474 -3.849 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.981 7.323 -1.736 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.764 3.059 -1.980 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.333 5.492 0.472 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.685 2.130 0.122 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.462 3.343 1.354 1.00 0.67 H new ATOM 936 N ILE A 114 9.512 2.373 -4.643 1.00 0.39 N ATOM 937 CA ILE A 114 10.271 1.157 -4.260 1.00 0.37 C ATOM 938 C ILE A 114 11.189 0.768 -5.423 1.00 0.39 C ATOM 939 O ILE A 114 12.214 0.142 -5.237 1.00 0.44 O ATOM 940 CB ILE A 114 9.299 0.012 -3.966 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.311 0.452 -2.882 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.082 -1.209 -3.475 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.301 -0.667 -2.618 1.00 1.00 C ATOM 0 H ILE A 114 8.497 2.290 -4.593 1.00 0.39 H new ATOM 0 HA ILE A 114 10.864 1.355 -3.367 1.00 0.37 H new ATOM 0 HB ILE A 114 8.755 -0.247 -4.874 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.847 0.694 -1.965 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.791 1.357 -3.196 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.390 -2.025 -3.265 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.789 -1.521 -4.244 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.625 -0.951 -2.566 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.600 -0.350 -1.846 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.755 -0.888 -3.535 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.828 -1.561 -2.284 1.00 1.00 H new ATOM 955 N TYR A 115 10.816 1.124 -6.629 1.00 0.40 N ATOM 956 CA TYR A 115 11.652 0.764 -7.814 1.00 0.46 C ATOM 957 C TYR A 115 12.998 1.512 -7.794 1.00 0.51 C ATOM 958 O TYR A 115 14.029 0.930 -7.520 1.00 0.54 O ATOM 959 CB TYR A 115 10.887 1.103 -9.105 1.00 0.53 C ATOM 960 CG TYR A 115 11.382 0.232 -10.243 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.935 -1.092 -10.358 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.285 0.746 -11.183 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.389 -1.899 -11.411 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.740 -0.061 -12.235 1.00 0.82 C ATOM 965 CZ TYR A 115 12.292 -1.384 -12.350 1.00 0.77 C ATOM 966 OH TYR A 115 12.735 -2.178 -13.389 1.00 0.87 O ATOM 0 H TYR A 115 9.968 1.649 -6.842 1.00 0.40 H new ATOM 0 HA TYR A 115 11.858 -0.306 -7.777 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.818 0.949 -8.956 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.025 2.155 -9.354 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.240 -1.491 -9.634 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.631 1.765 -11.097 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.042 -2.918 -11.498 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.437 0.337 -12.958 1.00 0.82 H new ATOM 0 HH TYR A 115 13.356 -1.667 -13.950 1.00 0.87 H new ATOM 976 N HIS A 116 13.009 2.784 -8.117 1.00 0.58 N ATOM 977 CA HIS A 116 14.309 3.527 -8.148 1.00 0.67 C ATOM 978 C HIS A 116 14.918 3.658 -6.747 1.00 0.67 C ATOM 979 O HIS A 116 15.745 4.517 -6.511 1.00 0.81 O ATOM 980 CB HIS A 116 14.120 4.915 -8.775 1.00 0.79 C ATOM 981 CG HIS A 116 12.930 5.622 -8.187 1.00 1.20 C ATOM 982 ND1 HIS A 116 11.701 5.642 -8.826 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.778 6.381 -7.053 1.00 2.05 C ATOM 984 CE1 HIS A 116 10.870 6.395 -8.083 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.476 6.871 -6.990 1.00 2.74 N ATOM 0 H HIS A 116 12.185 3.334 -8.358 1.00 0.58 H new ATOM 0 HA HIS A 116 15.002 2.951 -8.761 1.00 0.67 H new ATOM 0 HB2 HIS A 116 15.017 5.514 -8.616 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.991 4.815 -9.853 1.00 0.79 H new ATOM 0 HD2 HIS A 116 13.550 6.569 -6.322 1.00 2.05 H new ATOM 0 HE1 HIS A 116 9.839 6.591 -8.338 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.072 7.465 -6.266 1.00 2.74 H new ATOM 993 N THR A 117 14.536 2.808 -5.821 1.00 0.63 N ATOM 994 CA THR A 117 15.112 2.874 -4.434 1.00 0.68 C ATOM 995 C THR A 117 15.694 1.506 -4.056 1.00 0.66 C ATOM 996 O THR A 117 16.878 1.267 -4.194 1.00 0.73 O ATOM 997 CB THR A 117 14.019 3.250 -3.437 1.00 0.80 C ATOM 998 OG1 THR A 117 12.971 2.300 -3.513 1.00 0.85 O ATOM 999 CG2 THR A 117 13.485 4.647 -3.764 1.00 0.91 C ATOM 0 H THR A 117 13.848 2.069 -5.965 1.00 0.63 H new ATOM 0 HA THR A 117 15.899 3.628 -4.409 1.00 0.68 H new ATOM 0 HB THR A 117 14.428 3.255 -2.427 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.136 2.753 -3.753 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.705 4.914 -3.051 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.297 5.371 -3.701 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.072 4.652 -4.773 1.00 0.91 H new ATOM 1007 N GLN A 118 14.872 0.605 -3.576 1.00 0.73 N ATOM 1008 CA GLN A 118 15.387 -0.742 -3.187 1.00 0.83 C ATOM 1009 C GLN A 118 15.507 -1.619 -4.438 1.00 0.72 C ATOM 1010 O GLN A 118 16.179 -2.631 -4.441 1.00 0.91 O ATOM 1011 CB GLN A 118 14.415 -1.397 -2.208 1.00 1.06 C ATOM 1012 CG GLN A 118 14.218 -0.500 -0.987 1.00 1.48 C ATOM 1013 CD GLN A 118 13.193 -1.144 -0.053 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.168 -1.777 -0.563 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.328 -1.076 1.152 1.00 2.13 N flip ATOM 0 H GLN A 118 13.871 0.744 -3.438 1.00 0.73 H new ATOM 0 HA GLN A 118 16.364 -0.635 -2.716 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.457 -1.574 -2.697 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.799 -2.369 -1.897 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.165 -0.360 -0.466 1.00 1.48 H new ATOM 0 HG3 GLN A 118 13.876 0.487 -1.297 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.128 -0.582 1.549 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.642 -1.513 1.768 1.00 2.13 H new ATOM 1024 N GLY A 119 14.872 -1.221 -5.505 1.00 0.86 N ATOM 1025 CA GLY A 119 14.957 -2.002 -6.773 1.00 0.85 C ATOM 1026 C GLY A 119 14.082 -3.262 -6.723 1.00 0.65 C ATOM 1027 O GLY A 119 14.162 -4.101 -7.598 1.00 0.67 O ATOM 0 H GLY A 119 14.293 -0.382 -5.554 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.645 -1.375 -7.608 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.993 -2.286 -6.957 1.00 0.85 H new ATOM 1031 N TYR A 120 13.243 -3.413 -5.731 1.00 0.54 N ATOM 1032 CA TYR A 120 12.382 -4.633 -5.688 1.00 0.44 C ATOM 1033 C TYR A 120 11.295 -4.510 -6.765 1.00 0.49 C ATOM 1034 O TYR A 120 10.712 -3.462 -6.953 1.00 0.70 O ATOM 1035 CB TYR A 120 11.714 -4.768 -4.307 1.00 0.48 C ATOM 1036 CG TYR A 120 12.682 -5.362 -3.305 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.177 -6.662 -3.489 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.077 -4.619 -2.184 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.065 -7.210 -2.556 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.962 -5.170 -1.251 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.457 -6.464 -1.437 1.00 0.75 C ATOM 1042 OH TYR A 120 15.328 -7.005 -0.514 1.00 0.91 O ATOM 0 H TYR A 120 13.117 -2.757 -4.961 1.00 0.54 H new ATOM 0 HA TYR A 120 12.998 -5.514 -5.869 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.379 -3.790 -3.962 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.829 -5.399 -4.385 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.873 -7.239 -4.350 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.697 -3.618 -2.040 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.448 -8.209 -2.699 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.263 -4.596 -0.387 1.00 0.71 H new ATOM 0 HH TYR A 120 15.496 -6.354 0.199 1.00 0.91 H new ATOM 1052 N PHE A 121 11.015 -5.577 -7.468 1.00 0.48 N ATOM 1053 CA PHE A 121 9.958 -5.521 -8.521 1.00 0.57 C ATOM 1054 C PHE A 121 8.587 -5.637 -7.829 1.00 0.55 C ATOM 1055 O PHE A 121 8.428 -6.435 -6.926 1.00 0.59 O ATOM 1056 CB PHE A 121 10.149 -6.695 -9.489 1.00 0.68 C ATOM 1057 CG PHE A 121 9.218 -6.550 -10.670 1.00 1.42 C ATOM 1058 CD1 PHE A 121 7.934 -7.107 -10.621 1.00 2.33 C ATOM 1059 CD2 PHE A 121 9.637 -5.863 -11.814 1.00 2.32 C ATOM 1060 CE1 PHE A 121 7.071 -6.979 -11.716 1.00 3.43 C ATOM 1061 CE2 PHE A 121 8.774 -5.733 -12.910 1.00 3.44 C ATOM 1062 CZ PHE A 121 7.490 -6.290 -12.859 1.00 3.85 C ATOM 0 H PHE A 121 11.472 -6.483 -7.359 1.00 0.48 H new ATOM 0 HA PHE A 121 10.019 -4.586 -9.078 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.183 -6.729 -9.833 1.00 0.68 H new ATOM 0 HB3 PHE A 121 9.953 -7.636 -8.975 1.00 0.68 H new ATOM 0 HD1 PHE A 121 7.609 -7.636 -9.737 1.00 2.33 H new ATOM 0 HD2 PHE A 121 10.627 -5.432 -11.853 1.00 2.32 H new ATOM 0 HE1 PHE A 121 6.082 -7.412 -11.678 1.00 3.43 H new ATOM 0 HE2 PHE A 121 9.099 -5.204 -13.794 1.00 3.44 H new ATOM 0 HZ PHE A 121 6.823 -6.188 -13.702 1.00 3.85 H new ATOM 1072 N PRO A 122 7.603 -4.850 -8.211 1.00 0.64 N ATOM 1073 CA PRO A 122 6.257 -4.901 -7.563 1.00 0.67 C ATOM 1074 C PRO A 122 5.395 -6.059 -8.072 1.00 0.73 C ATOM 1075 O PRO A 122 4.855 -6.022 -9.159 1.00 1.19 O ATOM 1076 CB PRO A 122 5.644 -3.555 -7.946 1.00 0.80 C ATOM 1077 CG PRO A 122 6.209 -3.271 -9.299 1.00 1.05 C ATOM 1078 CD PRO A 122 7.639 -3.830 -9.282 1.00 0.87 C ATOM 0 HA PRO A 122 6.325 -5.069 -6.488 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.555 -3.605 -7.971 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.911 -2.777 -7.231 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.613 -3.745 -10.079 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.210 -2.201 -9.505 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.910 -4.268 -10.243 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.371 -3.051 -9.069 1.00 0.87 H new ATOM 1086 N ASP A 123 5.260 -7.080 -7.278 1.00 0.56 N ATOM 1087 CA ASP A 123 4.430 -8.249 -7.680 1.00 0.64 C ATOM 1088 C ASP A 123 4.008 -9.001 -6.417 1.00 0.58 C ATOM 1089 O ASP A 123 3.603 -10.146 -6.463 1.00 0.65 O ATOM 1090 CB ASP A 123 5.253 -9.172 -8.576 1.00 0.74 C ATOM 1091 CG ASP A 123 6.608 -9.442 -7.918 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.272 -8.481 -7.564 1.00 1.38 O ATOM 1093 OD2 ASP A 123 6.957 -10.601 -7.778 1.00 1.27 O ATOM 0 H ASP A 123 5.693 -7.157 -6.358 1.00 0.56 H new ATOM 0 HA ASP A 123 3.548 -7.915 -8.227 1.00 0.64 H new ATOM 0 HB2 ASP A 123 4.721 -10.110 -8.737 1.00 0.74 H new ATOM 0 HB3 ASP A 123 5.396 -8.714 -9.555 1.00 0.74 H new ATOM 1098 N TRP A 124 4.121 -8.356 -5.286 1.00 0.53 N ATOM 1099 CA TRP A 124 3.757 -9.001 -3.987 1.00 0.52 C ATOM 1100 C TRP A 124 2.439 -8.425 -3.488 1.00 0.51 C ATOM 1101 O TRP A 124 1.737 -9.018 -2.693 1.00 0.55 O ATOM 1102 CB TRP A 124 4.862 -8.687 -2.980 1.00 0.49 C ATOM 1103 CG TRP A 124 5.247 -7.252 -3.143 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.152 -6.783 -4.033 1.00 0.44 C ATOM 1105 CD2 TRP A 124 4.735 -6.093 -2.429 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.233 -5.410 -3.905 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.378 -4.936 -2.929 1.00 0.41 C ATOM 1108 CE3 TRP A 124 3.786 -5.937 -1.406 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.088 -3.667 -2.427 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.492 -4.663 -0.898 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.138 -3.530 -1.409 1.00 0.55 C ATOM 0 H TRP A 124 4.455 -7.396 -5.205 1.00 0.53 H new ATOM 0 HA TRP A 124 3.650 -10.078 -4.112 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.515 -8.875 -1.964 1.00 0.49 H new ATOM 0 HB3 TRP A 124 5.724 -9.333 -3.147 1.00 0.49 H new ATOM 0 HD1 TRP A 124 6.718 -7.384 -4.729 1.00 0.44 H new ATOM 0 HE1 TRP A 124 6.849 -4.818 -4.463 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.279 -6.804 -1.008 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.593 -2.797 -2.821 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.763 -4.555 -0.108 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.903 -2.551 -1.017 1.00 0.55 H new ATOM 1122 N GLN A 125 2.113 -7.269 -3.959 1.00 0.53 N ATOM 1123 CA GLN A 125 0.848 -6.604 -3.538 1.00 0.60 C ATOM 1124 C GLN A 125 -0.339 -7.282 -4.224 1.00 0.66 C ATOM 1125 O GLN A 125 -0.480 -7.236 -5.430 1.00 0.84 O ATOM 1126 CB GLN A 125 0.903 -5.124 -3.933 1.00 0.69 C ATOM 1127 CG GLN A 125 1.108 -4.986 -5.456 1.00 1.56 C ATOM 1128 CD GLN A 125 1.813 -3.664 -5.772 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.266 -2.812 -6.446 1.00 2.78 O ATOM 1130 NE2 GLN A 125 3.017 -3.458 -5.312 1.00 2.82 N ATOM 0 H GLN A 125 2.672 -6.741 -4.629 1.00 0.53 H new ATOM 0 HA GLN A 125 0.729 -6.687 -2.458 1.00 0.60 H new ATOM 0 HB2 GLN A 125 -0.020 -4.626 -3.636 1.00 0.69 H new ATOM 0 HB3 GLN A 125 1.716 -4.629 -3.403 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.700 -5.822 -5.829 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.145 -5.025 -5.966 1.00 1.56 H new ATOM 0 HE21 GLN A 125 3.476 -4.172 -4.747 1.00 2.82 H new ATOM 0 HE22 GLN A 125 3.499 -2.583 -5.518 1.00 2.82 H new ATOM 1139 N ASN A 126 -1.192 -7.916 -3.465 1.00 0.64 N ATOM 1140 CA ASN A 126 -2.365 -8.601 -4.075 1.00 0.72 C ATOM 1141 C ASN A 126 -3.450 -8.800 -3.016 1.00 0.69 C ATOM 1142 O ASN A 126 -3.641 -9.884 -2.510 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.929 -9.968 -4.610 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.947 -9.780 -5.769 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.327 -9.625 -5.520 1.00 1.53 O flip ATOM 1146 ND2 ASN A 126 -1.344 -9.773 -6.918 1.00 0.88 N flip ATOM 0 H ASN A 126 -1.126 -7.988 -2.450 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.758 -7.992 -4.889 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.461 -10.548 -3.815 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.799 -10.532 -4.946 1.00 0.84 H new ATOM 0 HD21 ASN A 126 -2.337 -9.894 -7.115 1.00 0.88 H new ATOM 0 HD22 ASN A 126 -0.684 -9.646 -7.685 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.164 -7.771 -2.667 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.231 -7.943 -1.643 1.00 0.61 C ATOM 1155 C TYR A 127 -6.380 -8.764 -2.241 1.00 0.63 C ATOM 1156 O TYR A 127 -6.498 -8.888 -3.443 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.734 -6.574 -1.183 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.564 -5.630 -1.025 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.047 -4.959 -2.142 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.997 -5.425 0.237 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.963 -4.085 -1.993 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.913 -4.550 0.386 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.397 -3.881 -0.729 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.328 -3.022 -0.582 1.00 1.48 O ATOM 0 H TYR A 127 -4.059 -6.828 -3.040 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.829 -8.472 -0.779 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.442 -6.173 -1.908 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.267 -6.670 -0.237 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.484 -5.116 -3.117 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.395 -5.942 1.098 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.564 -3.568 -2.853 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.476 -4.392 1.361 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.510 -2.395 0.148 1.00 1.48 H new ATOM 1174 N THR A 128 -7.222 -9.335 -1.415 1.00 0.62 N ATOM 1175 CA THR A 128 -8.348 -10.157 -1.953 1.00 0.68 C ATOM 1176 C THR A 128 -9.255 -9.287 -2.850 1.00 0.75 C ATOM 1177 O THR A 128 -9.698 -8.235 -2.431 1.00 0.97 O ATOM 1178 CB THR A 128 -9.189 -10.713 -0.806 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.524 -9.665 0.094 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.406 -11.798 -0.066 1.00 0.90 C ATOM 0 H THR A 128 -7.178 -9.268 -0.398 1.00 0.62 H new ATOM 0 HA THR A 128 -7.927 -10.978 -2.534 1.00 0.68 H new ATOM 0 HB THR A 128 -10.104 -11.146 -1.211 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.569 -8.816 -0.394 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.011 -12.190 0.751 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.161 -12.605 -0.757 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.486 -11.373 0.336 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.218 -5.212 2.047 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.240 -6.022 1.266 1.00 0.49 C ATOM 1251 C ARG A 134 -8.058 -6.450 2.146 1.00 0.40 C ATOM 1252 O ARG A 134 -7.219 -5.645 2.515 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.736 -5.192 0.075 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.888 -4.348 -0.486 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.410 -3.559 -1.710 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.878 -4.498 -2.741 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.711 -4.091 -3.972 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -9.034 -2.872 -4.309 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -8.226 -4.905 -4.870 1.00 3.36 N ATOM 0 HA ARG A 134 -9.735 -6.923 0.905 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -7.917 -4.545 0.390 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -8.343 -5.850 -0.700 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -10.722 -4.993 -0.762 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.254 -3.663 0.279 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -10.234 -2.979 -2.124 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.636 -2.850 -1.417 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.645 -5.457 -2.485 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -9.418 -2.235 -3.611 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.903 -2.557 -5.270 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -7.977 -5.860 -4.611 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -8.096 -4.586 -5.830 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.976 -7.722 2.461 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.841 -8.225 3.290 1.00 0.39 C ATOM 1275 C TYR A 135 -5.658 -8.509 2.355 1.00 0.36 C ATOM 1276 O TYR A 135 -5.859 -8.891 1.222 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.247 -9.536 3.978 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.110 -9.248 5.182 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -7.517 -9.022 6.431 1.00 0.66 C ATOM 1280 CD2 TYR A 135 -9.501 -9.217 5.050 1.00 0.72 C ATOM 1281 CE1 TYR A 135 -8.320 -8.764 7.549 1.00 0.85 C ATOM 1282 CE2 TYR A 135 -10.305 -8.960 6.169 1.00 0.91 C ATOM 1283 CZ TYR A 135 -9.712 -8.732 7.418 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.497 -8.478 8.522 1.00 1.17 O ATOM 0 H TYR A 135 -8.650 -8.433 2.177 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.574 -7.485 4.045 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.789 -10.170 3.277 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.357 -10.086 4.283 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -6.442 -9.047 6.532 1.00 0.66 H new ATOM 0 HD2 TYR A 135 -9.956 -9.391 4.086 1.00 0.72 H new ATOM 0 HE1 TYR A 135 -7.864 -8.590 8.512 1.00 0.85 H new ATOM 0 HE2 TYR A 135 -11.380 -8.938 6.069 1.00 0.91 H new ATOM 0 HH TYR A 135 -11.442 -8.490 8.261 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.438 -8.343 2.806 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.242 -8.609 1.955 1.00 0.38 C ATOM 1296 C PRO A 136 -2.966 -10.112 1.825 1.00 0.37 C ATOM 1297 O PRO A 136 -2.677 -10.781 2.795 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.112 -7.905 2.710 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.514 -7.993 4.145 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.047 -7.893 4.160 1.00 0.44 C ATOM 0 HA PRO A 136 -3.364 -8.252 0.932 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.153 -8.393 2.535 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -2.005 -6.869 2.390 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.179 -8.931 4.587 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.064 -7.188 4.727 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.482 -8.525 4.934 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.380 -6.874 4.356 1.00 0.44 H new ATOM 1308 N LEU A 137 -3.060 -10.653 0.640 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.806 -12.115 0.484 1.00 0.43 C ATOM 1310 C LEU A 137 -1.375 -12.427 0.922 1.00 0.41 C ATOM 1311 O LEU A 137 -1.130 -13.369 1.648 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.986 -12.535 -0.980 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.455 -12.392 -1.418 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.545 -12.533 -2.944 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.326 -13.491 -0.782 1.00 0.92 C ATOM 0 H LEU A 137 -3.299 -10.154 -0.217 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.516 -12.665 1.101 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.351 -11.921 -1.619 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.663 -13.568 -1.108 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.814 -11.415 -1.095 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.584 -12.432 -3.258 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.946 -11.755 -3.417 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -4.169 -13.512 -3.242 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.360 -13.369 -1.106 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.961 -14.470 -1.093 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.275 -13.413 0.304 1.00 0.92 H new ATOM 1327 N THR A 138 -0.424 -11.646 0.481 1.00 0.50 N ATOM 1328 CA THR A 138 0.993 -11.903 0.868 1.00 0.55 C ATOM 1329 C THR A 138 1.174 -11.649 2.366 1.00 0.47 C ATOM 1330 O THR A 138 0.459 -10.873 2.970 1.00 0.50 O ATOM 1331 CB THR A 138 1.925 -10.985 0.060 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.305 -9.720 -0.118 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.202 -11.615 -1.307 1.00 1.04 C ATOM 0 H THR A 138 -0.568 -10.842 -0.130 1.00 0.50 H new ATOM 0 HA THR A 138 1.244 -12.942 0.653 1.00 0.55 H new ATOM 0 HB THR A 138 2.865 -10.857 0.598 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.422 -9.426 -1.046 1.00 0.98 H new ATOM 0 HG21 THR A 138 2.863 -10.965 -1.880 1.00 1.04 H new ATOM 0 HG22 THR A 138 2.678 -12.586 -1.170 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.263 -11.744 -1.845 1.00 1.04 H new ATOM 1341 N PHE A 139 2.125 -12.315 2.965 1.00 0.51 N ATOM 1342 CA PHE A 139 2.372 -12.146 4.433 1.00 0.49 C ATOM 1343 C PHE A 139 3.512 -11.148 4.664 1.00 0.65 C ATOM 1344 O PHE A 139 4.352 -10.936 3.811 1.00 1.43 O ATOM 1345 CB PHE A 139 2.751 -13.504 5.033 1.00 0.52 C ATOM 1346 CG PHE A 139 2.934 -13.383 6.534 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.853 -13.009 7.347 1.00 0.67 C ATOM 1348 CD2 PHE A 139 4.183 -13.651 7.116 1.00 0.59 C ATOM 1349 CE1 PHE A 139 2.022 -12.905 8.734 1.00 0.77 C ATOM 1350 CE2 PHE A 139 4.348 -13.547 8.503 1.00 0.62 C ATOM 1351 CZ PHE A 139 3.268 -13.174 9.310 1.00 0.66 C ATOM 0 H PHE A 139 2.748 -12.975 2.499 1.00 0.51 H new ATOM 0 HA PHE A 139 1.469 -11.766 4.911 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.974 -14.236 4.812 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.671 -13.867 4.576 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.890 -12.801 6.903 1.00 0.67 H new ATOM 0 HD2 PHE A 139 5.018 -13.938 6.494 1.00 0.59 H new ATOM 0 HE1 PHE A 139 1.190 -12.617 9.359 1.00 0.77 H new ATOM 0 HE2 PHE A 139 5.309 -13.755 8.949 1.00 0.62 H new ATOM 0 HZ PHE A 139 3.396 -13.094 10.379 1.00 0.66 H new ATOM 1361 N GLY A 140 3.544 -10.532 5.820 1.00 0.46 N ATOM 1362 CA GLY A 140 4.623 -9.546 6.132 1.00 0.43 C ATOM 1363 C GLY A 140 4.105 -8.130 5.870 1.00 0.35 C ATOM 1364 O GLY A 140 4.354 -7.212 6.627 1.00 0.32 O ATOM 0 H GLY A 140 2.863 -10.672 6.566 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.933 -9.646 7.172 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.501 -9.744 5.517 1.00 0.43 H new ATOM 1368 N TRP A 141 3.377 -7.955 4.804 1.00 0.34 N ATOM 1369 CA TRP A 141 2.819 -6.608 4.477 1.00 0.29 C ATOM 1370 C TRP A 141 1.594 -6.375 5.357 1.00 0.32 C ATOM 1371 O TRP A 141 0.529 -6.907 5.111 1.00 0.40 O ATOM 1372 CB TRP A 141 2.441 -6.594 2.993 1.00 0.33 C ATOM 1373 CG TRP A 141 2.116 -5.214 2.501 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.970 -4.895 1.857 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.908 -3.980 2.557 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.004 -3.561 1.506 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.170 -2.952 1.915 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.172 -3.648 3.090 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.663 -1.653 1.801 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.670 -2.337 2.975 1.00 0.31 C ATOM 1381 CH2 TRP A 141 3.918 -1.343 2.331 1.00 0.33 C ATOM 0 H TRP A 141 3.141 -8.691 4.138 1.00 0.34 H new ATOM 0 HA TRP A 141 3.544 -5.815 4.663 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.265 -7.002 2.407 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.582 -7.246 2.833 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.158 -5.576 1.650 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.256 -3.083 1.004 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.760 -4.404 3.589 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.079 -0.891 1.306 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.639 -2.094 3.386 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.309 -0.340 2.245 1.00 0.33 H new ATOM 1392 N CYS A 142 1.751 -5.621 6.411 1.00 0.31 N ATOM 1393 CA CYS A 142 0.609 -5.395 7.346 1.00 0.40 C ATOM 1394 C CYS A 142 -0.291 -4.237 6.900 1.00 0.39 C ATOM 1395 O CYS A 142 -0.735 -3.450 7.714 1.00 0.48 O ATOM 1396 CB CYS A 142 1.169 -5.106 8.731 1.00 0.47 C ATOM 1397 SG CYS A 142 1.791 -6.642 9.458 1.00 1.45 S ATOM 0 H CYS A 142 2.620 -5.151 6.666 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.008 -6.293 7.354 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.971 -4.371 8.665 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.394 -4.677 9.367 1.00 0.47 H new ATOM 0 HG CYS A 142 1.404 -7.652 8.736 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.585 -4.133 5.632 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.483 -3.031 5.149 1.00 0.40 C ATOM 1405 C TYR A 143 -2.820 -3.638 4.738 1.00 0.43 C ATOM 1406 O TYR A 143 -2.880 -4.609 4.009 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.846 -2.328 3.949 1.00 0.55 C ATOM 1408 CG TYR A 143 0.402 -1.605 4.399 1.00 1.43 C ATOM 1409 CD1 TYR A 143 1.524 -2.339 4.793 1.00 2.17 C ATOM 1410 CD2 TYR A 143 0.436 -0.202 4.431 1.00 2.16 C ATOM 1411 CE1 TYR A 143 2.677 -1.680 5.220 1.00 3.14 C ATOM 1412 CE2 TYR A 143 1.595 0.460 4.857 1.00 3.14 C ATOM 1413 CZ TYR A 143 2.717 -0.280 5.253 1.00 3.52 C ATOM 1414 OH TYR A 143 3.859 0.370 5.678 1.00 4.57 O ATOM 0 H TYR A 143 -0.244 -4.762 4.905 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.633 -2.301 5.944 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.600 -3.055 3.175 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.551 -1.622 3.510 1.00 0.55 H new ATOM 0 HD1 TYR A 143 1.498 -3.418 4.767 1.00 2.17 H new ATOM 0 HD2 TYR A 143 -0.431 0.367 4.127 1.00 2.16 H new ATOM 0 HE1 TYR A 143 3.541 -2.251 5.526 1.00 3.14 H new ATOM 0 HE2 TYR A 143 1.624 1.539 4.880 1.00 3.14 H new ATOM 0 HH TYR A 143 3.950 0.270 6.649 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.895 -3.073 5.214 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.256 -3.596 4.887 1.00 0.51 C ATOM 1426 C LYS A 144 -6.108 -2.427 4.397 1.00 0.43 C ATOM 1427 O LYS A 144 -6.418 -1.524 5.145 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.851 -4.194 6.166 1.00 0.70 C ATOM 1429 CG LYS A 144 -7.218 -4.815 5.879 1.00 1.21 C ATOM 1430 CD LYS A 144 -7.614 -5.736 7.042 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.733 -4.926 8.346 1.00 1.57 C ATOM 1432 NZ LYS A 144 -6.402 -4.861 9.016 1.00 2.32 N ATOM 0 H LYS A 144 -3.890 -2.257 5.826 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.219 -4.362 4.113 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.178 -4.951 6.568 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -5.949 -3.419 6.926 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -7.965 -4.032 5.750 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -7.185 -5.381 4.948 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -8.563 -6.225 6.821 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.870 -6.524 7.161 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -8.092 -3.920 8.130 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -8.463 -5.390 9.009 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -6.436 -5.395 9.908 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -5.679 -5.274 8.393 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -6.162 -3.869 9.215 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.477 -2.415 3.144 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.287 -1.271 2.640 1.00 0.37 C ATOM 1448 C LEU A 145 -8.701 -1.374 3.198 1.00 0.38 C ATOM 1449 O LEU A 145 -9.190 -2.450 3.472 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.327 -1.280 1.105 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.998 -0.736 0.535 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.774 -1.288 -0.878 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.039 0.797 0.461 1.00 0.52 C ATOM 0 H LEU A 145 -6.256 -3.136 2.458 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.831 -0.337 2.968 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.498 -2.294 0.744 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.159 -0.671 0.752 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.187 -1.049 1.193 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.836 -0.901 -1.275 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.731 -2.377 -0.841 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.596 -0.979 -1.524 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.096 1.167 0.058 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.858 1.108 -0.187 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.192 1.206 1.460 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.360 -0.258 3.373 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.740 -0.279 3.932 1.00 0.50 C ATOM 1467 C VAL A 146 -11.483 0.983 3.453 1.00 0.59 C ATOM 1468 O VAL A 146 -10.976 2.078 3.588 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.651 -0.247 5.468 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.056 -0.216 6.075 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.914 -1.488 5.981 1.00 0.56 C ATOM 0 H VAL A 146 -8.998 0.670 3.151 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.267 -1.175 3.605 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.105 0.649 5.763 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.982 -0.194 7.162 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.582 0.673 5.729 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.605 -1.106 5.767 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.857 -1.454 7.069 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.453 -2.384 5.674 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.906 -1.510 5.566 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.674 0.851 2.903 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.455 2.028 2.419 1.00 0.81 C ATOM 1483 C PRO A 147 -14.075 2.809 3.583 1.00 0.91 C ATOM 1484 O PRO A 147 -14.133 2.331 4.699 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.539 1.400 1.535 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.767 0.046 2.124 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.413 -0.410 2.681 1.00 0.75 C ATOM 0 HA PRO A 147 -12.837 2.751 1.886 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.452 1.995 1.544 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.214 1.331 0.497 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.519 0.086 2.912 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.132 -0.651 1.369 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.531 -0.972 3.608 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.891 -1.060 1.979 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.317 4.507 -1.076 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.889 3.522 -0.021 1.00 0.52 C ATOM 1782 C LEU A 181 -8.649 4.048 0.720 1.00 0.47 C ATOM 1783 O LEU A 181 -7.780 4.650 0.127 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.549 2.180 -0.687 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.620 1.803 -1.723 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.175 0.541 -2.469 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.959 1.534 -1.021 1.00 0.87 C ATOM 0 HA LEU A 181 -10.702 3.388 0.692 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.574 2.245 -1.171 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.478 1.400 0.071 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.746 2.626 -2.427 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.931 0.268 -3.206 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.228 0.732 -2.974 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.049 -0.276 -1.759 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.712 1.268 -1.763 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.840 0.713 -0.314 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.277 2.430 -0.487 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.561 3.828 2.013 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.368 4.307 2.798 1.00 0.45 C ATOM 1801 C GLU A 182 -6.527 3.119 3.278 1.00 0.42 C ATOM 1802 O GLU A 182 -7.041 2.116 3.730 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.849 5.107 4.015 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.015 4.373 4.684 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.291 4.989 6.057 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -10.014 5.970 6.110 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -8.777 4.466 7.033 1.00 1.62 O ATOM 0 H GLU A 182 -9.265 3.336 2.563 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.755 4.936 2.153 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.032 5.235 4.725 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.163 6.104 3.706 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.906 4.439 4.059 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.778 3.314 4.790 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.224 3.246 3.199 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.327 2.146 3.667 1.00 0.38 C ATOM 1816 C TRP A 183 -4.378 2.102 5.199 1.00 0.37 C ATOM 1817 O TRP A 183 -3.922 3.010 5.864 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.876 2.431 3.219 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.646 1.974 1.808 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.532 0.685 1.407 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.475 2.787 0.614 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.297 0.660 0.043 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.255 1.932 -0.493 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.487 4.172 0.390 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.060 2.440 -1.780 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.289 4.687 -0.902 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.073 3.821 -1.985 1.00 0.41 C ATOM 0 H TRP A 183 -4.743 4.066 2.830 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.653 1.195 3.245 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.671 3.499 3.297 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.180 1.924 3.887 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.611 -0.181 2.047 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.170 -0.194 -0.500 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.650 4.847 1.217 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.900 1.769 -2.611 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.303 5.755 -1.063 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.917 4.222 -2.976 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.927 1.060 5.770 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.996 0.977 7.263 1.00 0.35 C ATOM 1840 C ARG A 184 -3.759 0.241 7.782 1.00 0.31 C ATOM 1841 O ARG A 184 -3.704 -0.974 7.803 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.265 0.215 7.679 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.428 0.269 9.202 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.599 -0.620 9.640 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.909 -0.338 11.074 1.00 1.57 N ATOM 1846 CZ ARG A 184 -9.019 -0.767 11.609 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -9.883 -1.433 10.893 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -9.262 -0.530 12.872 1.00 2.61 N ATOM 0 H ARG A 184 -5.329 0.266 5.271 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.028 1.981 7.686 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.138 0.653 7.195 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.203 -0.821 7.347 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.509 -0.063 9.686 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.603 1.297 9.520 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.474 -0.425 9.020 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.344 -1.672 9.509 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.248 0.194 11.639 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -9.693 -1.621 9.909 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -10.749 -1.766 11.318 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -8.586 -0.012 13.433 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -10.128 -0.863 13.296 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.764 0.974 8.197 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.523 0.327 8.716 1.00 0.31 C ATOM 1864 C PHE A 185 -1.837 -0.423 10.011 1.00 0.31 C ATOM 1865 O PHE A 185 -2.448 0.109 10.917 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.476 1.410 8.996 1.00 0.40 C ATOM 1867 CG PHE A 185 0.776 0.796 9.587 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.813 0.428 10.940 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.906 0.608 8.781 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.977 -0.131 11.480 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.068 0.052 9.323 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.104 -0.318 10.670 1.00 0.71 C ATOM 0 H PHE A 185 -2.755 1.994 8.200 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.140 -0.377 7.977 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.230 1.934 8.072 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.885 2.150 9.684 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.056 0.576 11.564 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.879 0.893 7.740 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.006 -0.418 12.521 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.939 -0.092 8.700 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.002 -0.749 11.087 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.423 -1.658 10.102 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.691 -2.456 11.328 1.00 0.32 C ATOM 1884 C ASP A 186 -0.611 -3.538 11.479 1.00 0.30 C ATOM 1885 O ASP A 186 -0.865 -4.707 11.269 1.00 0.32 O ATOM 1886 CB ASP A 186 -3.058 -3.116 11.180 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.563 -3.576 12.551 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.805 -3.477 13.501 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.698 -4.018 12.625 1.00 1.16 O ATOM 0 H ASP A 186 -0.907 -2.150 9.373 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.677 -1.814 12.209 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.765 -2.414 10.739 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.990 -3.967 10.503 1.00 0.37 H new ATOM 1894 N SER A 187 0.590 -3.148 11.839 1.00 0.33 N ATOM 1895 CA SER A 187 1.702 -4.137 12.005 1.00 0.34 C ATOM 1896 C SER A 187 1.214 -5.370 12.782 1.00 0.35 C ATOM 1897 O SER A 187 1.901 -6.369 12.858 1.00 0.37 O ATOM 1898 CB SER A 187 2.862 -3.470 12.763 1.00 0.40 C ATOM 1899 OG SER A 187 3.775 -2.923 11.825 1.00 1.32 O ATOM 0 H SER A 187 0.848 -2.179 12.026 1.00 0.33 H new ATOM 0 HA SER A 187 2.041 -4.461 11.021 1.00 0.34 H new ATOM 0 HB2 SER A 187 2.482 -2.687 13.419 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.366 -4.200 13.397 1.00 0.40 H new ATOM 0 HG SER A 187 4.562 -2.579 12.297 1.00 1.32 H new ATOM 1905 N ARG A 188 0.044 -5.322 13.359 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.448 -6.509 14.117 1.00 0.46 C ATOM 1907 C ARG A 188 -0.478 -7.713 13.171 1.00 0.42 C ATOM 1908 O ARG A 188 -0.165 -8.824 13.552 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.861 -6.231 14.645 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.355 -7.434 15.451 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.649 -7.071 16.185 1.00 1.75 C ATOM 1912 NE ARG A 188 -4.647 -6.546 15.212 1.00 2.37 N ATOM 1913 CZ ARG A 188 -5.905 -6.477 15.546 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -6.291 -6.891 16.721 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -6.780 -5.997 14.706 1.00 3.87 N ATOM 0 H ARG A 188 -0.587 -4.521 13.340 1.00 0.40 H new ATOM 0 HA ARG A 188 0.211 -6.715 14.960 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.857 -5.338 15.271 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.538 -6.035 13.814 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.528 -8.281 14.788 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.593 -7.741 16.168 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -4.049 -7.949 16.693 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.446 -6.323 16.952 1.00 1.75 H new ATOM 0 HE ARG A 188 -4.347 -6.241 14.286 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -5.608 -7.269 17.378 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -7.275 -6.837 16.983 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -6.480 -5.675 13.786 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -7.764 -5.944 14.969 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.827 -7.492 11.933 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.851 -8.606 10.943 1.00 0.46 C ATOM 1931 C LEU A 189 0.585 -9.094 10.719 1.00 0.41 C ATOM 1932 O LEU A 189 0.835 -9.967 9.910 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.431 -8.112 9.611 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.919 -7.757 9.761 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.369 -6.967 8.526 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.771 -9.033 9.883 1.00 1.78 C ATOM 0 H LEU A 189 -1.098 -6.581 11.563 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.472 -9.418 11.321 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.877 -7.238 9.270 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -1.311 -8.882 8.849 1.00 0.57 H new ATOM 0 HG LEU A 189 -3.052 -7.160 10.663 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.424 -6.710 8.623 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.779 -6.054 8.443 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.224 -7.575 7.633 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.821 -8.761 9.988 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.642 -9.643 8.989 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.454 -9.600 10.758 1.00 1.78 H new ATOM 1948 N ALA A 190 1.531 -8.530 11.424 1.00 0.37 N ATOM 1949 CA ALA A 190 2.949 -8.957 11.246 1.00 0.42 C ATOM 1950 C ALA A 190 3.113 -10.344 11.846 1.00 0.44 C ATOM 1951 O ALA A 190 4.080 -11.035 11.597 1.00 0.53 O ATOM 1952 CB ALA A 190 3.874 -7.983 11.976 1.00 0.47 C ATOM 0 H ALA A 190 1.383 -7.794 12.114 1.00 0.37 H new ATOM 0 HA ALA A 190 3.203 -8.969 10.186 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.910 -8.297 11.845 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.744 -6.981 11.566 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.629 -7.975 13.038 1.00 0.47 H new ATOM 1958 N PHE A 191 2.157 -10.761 12.632 1.00 0.42 N ATOM 1959 CA PHE A 191 2.226 -12.115 13.254 1.00 0.51 C ATOM 1960 C PHE A 191 0.824 -12.731 13.255 1.00 0.56 C ATOM 1961 O PHE A 191 0.635 -13.866 12.867 1.00 0.96 O ATOM 1962 CB PHE A 191 2.767 -12.000 14.684 1.00 0.58 C ATOM 1963 CG PHE A 191 1.721 -11.422 15.609 1.00 1.14 C ATOM 1964 CD1 PHE A 191 1.589 -10.034 15.737 1.00 1.81 C ATOM 1965 CD2 PHE A 191 0.896 -12.275 16.351 1.00 1.98 C ATOM 1966 CE1 PHE A 191 0.631 -9.501 16.606 1.00 2.75 C ATOM 1967 CE2 PHE A 191 -0.062 -11.743 17.223 1.00 2.87 C ATOM 1968 CZ PHE A 191 -0.193 -10.355 17.350 1.00 3.15 C ATOM 0 H PHE A 191 1.327 -10.219 12.871 1.00 0.42 H new ATOM 0 HA PHE A 191 2.898 -12.756 12.684 1.00 0.51 H new ATOM 0 HB2 PHE A 191 3.072 -12.983 15.042 1.00 0.58 H new ATOM 0 HB3 PHE A 191 3.655 -11.368 14.692 1.00 0.58 H new ATOM 0 HD1 PHE A 191 2.226 -9.375 15.165 1.00 1.81 H new ATOM 0 HD2 PHE A 191 0.998 -13.345 16.251 1.00 1.98 H new ATOM 0 HE1 PHE A 191 0.527 -8.430 16.703 1.00 2.75 H new ATOM 0 HE2 PHE A 191 -0.698 -12.402 17.796 1.00 2.87 H new ATOM 0 HZ PHE A 191 -0.930 -9.942 18.023 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.161 -11.983 13.678 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.550 -12.521 13.691 1.00 0.72 C ATOM 1980 C HIS A 192 -2.093 -12.568 12.261 1.00 0.67 C ATOM 1981 O HIS A 192 -3.001 -11.841 11.908 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.449 -11.620 14.540 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.830 -12.207 14.586 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.055 -13.572 14.491 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -5.070 -11.632 14.714 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.382 -13.771 14.564 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -6.048 -12.621 14.698 1.00 3.35 N ATOM 0 H HIS A 192 -0.063 -11.025 14.014 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.539 -13.525 14.115 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.045 -11.529 15.548 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.481 -10.616 14.118 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -5.258 -10.573 14.812 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -5.852 -14.742 14.520 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -7.057 -12.495 14.773 1.00 3.35 H new ATOM 1995 N HIS A 193 -1.549 -13.416 11.435 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.042 -13.504 10.029 1.00 0.85 C ATOM 1997 C HIS A 193 -3.545 -13.796 10.040 1.00 0.74 C ATOM 1998 O HIS A 193 -3.966 -14.924 10.202 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.297 -14.631 9.287 1.00 1.28 C ATOM 2000 CG HIS A 193 -0.936 -15.717 10.259 1.00 2.09 C ATOM 2001 ND1 HIS A 193 0.283 -15.736 10.913 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.619 -16.822 10.703 1.00 2.99 C ATOM 2003 CE1 HIS A 193 0.299 -16.818 11.711 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -0.837 -17.515 11.622 1.00 3.87 N ATOM 0 H HIS A 193 -0.786 -14.051 11.670 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.858 -12.559 9.517 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.924 -15.034 8.492 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.397 -14.237 8.815 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -2.611 -17.109 10.387 1.00 2.99 H new ATOM 0 HE1 HIS A 193 1.129 -17.090 12.346 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -1.079 -18.371 12.121 1.00 3.87 H new ATOM 2012 N MET A 194 -4.357 -12.790 9.862 1.00 0.73 N ATOM 2013 CA MET A 194 -5.830 -13.015 9.854 1.00 0.79 C ATOM 2014 C MET A 194 -6.247 -13.562 8.487 1.00 0.75 C ATOM 2015 O MET A 194 -7.172 -14.341 8.374 1.00 0.90 O ATOM 2016 CB MET A 194 -6.561 -11.693 10.101 1.00 0.91 C ATOM 2017 CG MET A 194 -6.311 -11.218 11.534 1.00 1.47 C ATOM 2018 SD MET A 194 -7.096 -9.603 11.772 1.00 2.35 S ATOM 2019 CE MET A 194 -8.678 -10.200 12.419 1.00 2.94 C ATOM 0 H MET A 194 -4.064 -11.823 9.722 1.00 0.73 H new ATOM 0 HA MET A 194 -6.088 -13.725 10.639 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.216 -10.939 9.394 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.630 -11.822 9.933 1.00 0.91 H new ATOM 0 HG2 MET A 194 -6.714 -11.940 12.245 1.00 1.47 H new ATOM 0 HG3 MET A 194 -5.240 -11.147 11.725 1.00 1.47 H new ATOM 0 HE1 MET A 194 -9.326 -9.351 12.636 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.156 -10.841 11.678 1.00 2.94 H new ATOM 0 HE3 MET A 194 -8.506 -10.769 13.333 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.570 -13.151 7.446 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.922 -13.632 6.081 1.00 0.76 C ATOM 2031 C ALA A 195 -6.057 -15.158 6.096 1.00 0.90 C ATOM 2032 O ALA A 195 -6.857 -15.726 5.382 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.822 -13.216 5.095 1.00 0.82 C ATOM 0 H ALA A 195 -4.786 -12.500 7.485 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.869 -13.192 5.770 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.078 -13.567 4.095 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.733 -12.130 5.086 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.873 -13.655 5.402 1.00 0.82 H new