USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 801 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: B 81 ASN : amide:sc= 0.901 K(o=0.9,f=-2.4!) USER MOD Set 1.2: B 83 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 66 GLN :FLIP amide:sc= 0.586 F(o=-3.5,f=-2.6) USER MOD Set 2.2: B 76 ASN :FLIP amide:sc= -3.17! C(o=-3.5!,f=-2.6!) USER MOD Set 3.1: B 56 SER OG : rot 22:sc= 0.84! USER MOD Set 3.2: B 64 GLN : amide:sc= -1.32 K(o=-0.48,f=-4.2!) USER MOD Set 4.1: B 52 CYS SG : rot 176:sc= -1.09! USER MOD Set 4.2: B 54 LYS NZ :NH3+ 138:sc= -1.22! (180deg=-2.58!) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -1.52! C(o=-0.21!,f=-4.3!) USER MOD Set 5.2: B 75 THR OG1 : rot -136:sc= 1.31 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -143:sc= 0.344 (180deg=-0.00237) USER MOD Set 6.2: B 25 TYR OH : rot 165:sc= 0.319 USER MOD Set 7.1: A 414 LYS NZ :NH3+ 137:sc= 2.24 (180deg=-0.768) USER MOD Set 7.2: B 97 GLN : amide:sc= -8.02! C(o=-5.8!,f=-15!) USER MOD Single : B 14 LYS NZ :NH3+ -132:sc= 2.28 (180deg=-1.34) USER MOD Single : B 17 GLN :FLIP amide:sc= -0.0513 F(o=-1.5!,f=-0.051) USER MOD Single : B 18 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.771) USER MOD Single : B 19 LYS NZ :NH3+ -157:sc= -0.1 (180deg=-0.856) USER MOD Single : B 20 GLN : amide:sc= -0.391 K(o=-0.39,f=-4.5!) USER MOD Single : B 27 MET CE :methyl 167:sc= -0.024 (180deg=-0.266) USER MOD Single : B 42 THR OG1 : rot -22:sc= -0.376 USER MOD Single : B 44 SER OG : rot -130:sc= 0.496 USER MOD Single : B 46 MET CE :methyl -162:sc= -0.12 (180deg=-0.574) USER MOD Single : B 47 TYR OH : rot -42:sc= 0.242 USER MOD Single : B 51 LYS NZ :NH3+ -112:sc= 1.25 (180deg=-0.344) USER MOD Single : B 53 GLN : amide:sc= -2.65! C(o=-2.7!,f=-9.9!) USER MOD Single : B 60 LYS NZ :NH3+ -167:sc= 0.126 (180deg=-0.122) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.1) USER MOD Single : B 74 THR OG1 : rot 34:sc= 0.0595 USER MOD Single : B 78 HIS : no HE2:sc= -3.15! C(o=-3.1!,f=-3.6!) USER MOD Single : B 80 SER OG : rot 118:sc= -1.06 USER MOD Single : B 84 THR OG1 : rot 44:sc= 1.22 USER MOD Single : B 87 LYS NZ :NH3+ 167:sc= 1.16 (180deg=0.913) USER MOD Single : B 93 LYS NZ :NH3+ -164:sc= 2.26 (180deg=1.88) USER MOD Single : B 98 GLN : amide:sc= -4.52! C(o=-4.5!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 10.097 9.561 11.803 1.00 0.00 N ATOM 230 CA ASP A 405 9.929 8.131 12.040 1.00 0.00 C ATOM 231 C ASP A 405 8.980 7.855 13.193 1.00 0.00 C ATOM 232 O ASP A 405 8.746 6.701 13.554 1.00 0.00 O ATOM 233 CB ASP A 405 11.286 7.461 12.297 1.00 0.00 C ATOM 234 CG ASP A 405 12.206 7.511 11.087 1.00 0.00 C ATOM 235 OD1 ASP A 405 13.414 7.788 11.260 1.00 0.00 O ATOM 236 OD2 ASP A 405 11.729 7.285 9.955 1.00 0.00 O ATOM 0 HA ASP A 405 9.488 7.705 11.139 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.774 7.951 13.140 1.00 0.00 H new ATOM 0 HB3 ASP A 405 11.125 6.421 12.582 1.00 0.00 H new ATOM 241 N GLU A 406 8.418 8.905 13.762 1.00 0.00 N ATOM 242 CA GLU A 406 7.486 8.749 14.856 1.00 0.00 C ATOM 243 C GLU A 406 6.163 9.401 14.526 1.00 0.00 C ATOM 244 O GLU A 406 5.996 9.969 13.450 1.00 0.00 O ATOM 245 CB GLU A 406 8.031 9.330 16.168 1.00 0.00 C ATOM 246 CG GLU A 406 8.884 10.588 16.023 1.00 0.00 C ATOM 247 CD GLU A 406 8.267 11.660 15.142 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.582 11.689 13.938 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.472 12.477 15.650 1.00 0.00 O ATOM 0 H GLU A 406 8.592 9.871 13.484 1.00 0.00 H new ATOM 0 HA GLU A 406 7.341 7.678 14.996 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.189 9.556 16.823 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.626 8.564 16.666 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.065 11.007 17.013 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.855 10.310 15.612 1.00 0.00 H new ATOM 256 N ASP A 407 5.233 9.295 15.459 1.00 0.00 N ATOM 257 CA ASP A 407 3.918 9.872 15.327 1.00 0.00 C ATOM 258 C ASP A 407 3.200 9.370 14.085 1.00 0.00 C ATOM 259 O ASP A 407 3.021 10.097 13.116 1.00 0.00 O ATOM 260 CB ASP A 407 3.968 11.395 15.374 1.00 0.00 C ATOM 261 CG ASP A 407 2.588 12.018 15.455 1.00 0.00 C ATOM 262 OD1 ASP A 407 1.667 11.360 15.986 1.00 0.00 O ATOM 263 OD2 ASP A 407 2.429 13.167 14.991 1.00 0.00 O ATOM 0 H ASP A 407 5.377 8.799 16.338 1.00 0.00 H new ATOM 0 HA ASP A 407 3.334 9.540 16.186 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.557 11.710 16.236 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.479 11.766 14.486 1.00 0.00 H new ATOM 268 N PHE A 408 2.889 8.078 14.089 1.00 0.00 N ATOM 269 CA PHE A 408 2.119 7.464 13.029 1.00 0.00 C ATOM 270 C PHE A 408 0.932 6.801 13.677 1.00 0.00 C ATOM 271 O PHE A 408 1.075 5.988 14.591 1.00 0.00 O ATOM 272 CB PHE A 408 2.918 6.422 12.227 1.00 0.00 C ATOM 273 CG PHE A 408 3.967 6.992 11.319 1.00 0.00 C ATOM 274 CD1 PHE A 408 3.800 6.941 9.948 1.00 0.00 C ATOM 275 CD2 PHE A 408 5.109 7.580 11.826 1.00 0.00 C ATOM 276 CE1 PHE A 408 4.745 7.469 9.102 1.00 0.00 C ATOM 277 CE2 PHE A 408 6.059 8.106 10.983 1.00 0.00 C ATOM 278 CZ PHE A 408 5.875 8.054 9.619 1.00 0.00 C ATOM 0 H PHE A 408 3.166 7.433 14.829 1.00 0.00 H new ATOM 0 HA PHE A 408 1.826 8.234 12.316 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.397 5.736 12.926 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.222 5.833 11.629 1.00 0.00 H new ATOM 0 HD1 PHE A 408 2.915 6.480 9.536 1.00 0.00 H new ATOM 0 HD2 PHE A 408 5.257 7.627 12.895 1.00 0.00 H new ATOM 0 HE1 PHE A 408 4.600 7.424 8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 408 6.950 8.560 11.390 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.618 8.473 8.957 1.00 0.00 H new ATOM 288 N VAL A 409 -0.229 7.149 13.197 1.00 0.00 N ATOM 289 CA VAL A 409 -1.449 6.629 13.721 1.00 0.00 C ATOM 290 C VAL A 409 -1.767 5.335 13.039 1.00 0.00 C ATOM 291 O VAL A 409 -1.883 5.276 11.820 1.00 0.00 O ATOM 292 CB VAL A 409 -2.546 7.687 13.581 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.243 8.730 14.589 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.558 8.338 12.235 1.00 0.00 C ATOM 0 H VAL A 409 -0.350 7.806 12.426 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.363 6.406 14.785 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.517 7.211 13.718 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -2.996 9.516 14.537 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.250 8.287 15.585 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.260 9.155 14.388 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.357 9.078 12.196 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.600 8.828 12.059 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.726 7.583 11.467 1.00 0.00 H new ATOM 304 N GLU A 410 -1.858 4.292 13.836 1.00 0.00 N ATOM 305 CA GLU A 410 -2.094 2.972 13.312 1.00 0.00 C ATOM 306 C GLU A 410 -3.337 2.928 12.450 1.00 0.00 C ATOM 307 O GLU A 410 -4.441 3.243 12.892 1.00 0.00 O ATOM 308 CB GLU A 410 -2.197 1.931 14.423 1.00 0.00 C ATOM 309 CG GLU A 410 -2.328 0.514 13.884 1.00 0.00 C ATOM 310 CD GLU A 410 -1.716 -0.529 14.797 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.887 -0.156 15.651 1.00 0.00 O ATOM 312 OE2 GLU A 410 -2.014 -1.726 14.625 1.00 0.00 O ATOM 0 H GLU A 410 -1.771 4.337 14.851 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.232 2.728 12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.314 1.994 15.059 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.058 2.158 15.051 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -3.383 0.284 13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.849 0.458 12.906 1.00 0.00 H new ATOM 319 N VAL A 411 -3.122 2.559 11.209 1.00 0.00 N ATOM 320 CA VAL A 411 -4.176 2.422 10.250 1.00 0.00 C ATOM 321 C VAL A 411 -4.673 0.986 10.313 1.00 0.00 C ATOM 322 O VAL A 411 -3.958 0.045 9.925 1.00 0.00 O ATOM 323 CB VAL A 411 -3.704 2.775 8.828 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.889 2.981 7.917 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.861 4.002 8.854 1.00 0.00 C ATOM 0 H VAL A 411 -2.196 2.344 10.839 1.00 0.00 H new ATOM 0 HA VAL A 411 -4.981 3.118 10.489 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.108 1.946 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.539 3.230 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.481 2.067 7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.504 3.795 8.299 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.534 4.240 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.441 4.834 9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -1.990 3.831 9.486 1.00 0.00 H new ATOM 335 N PRO A 412 -5.885 0.807 10.853 1.00 0.00 N ATOM 336 CA PRO A 412 -6.506 -0.508 11.032 1.00 0.00 C ATOM 337 C PRO A 412 -6.826 -1.206 9.721 1.00 0.00 C ATOM 338 O PRO A 412 -6.700 -0.627 8.640 1.00 0.00 O ATOM 339 CB PRO A 412 -7.804 -0.188 11.780 1.00 0.00 C ATOM 340 CG PRO A 412 -8.096 1.226 11.425 1.00 0.00 C ATOM 341 CD PRO A 412 -6.759 1.892 11.331 1.00 0.00 C ATOM 0 HA PRO A 412 -5.837 -1.191 11.556 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.613 -0.850 11.473 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.683 -0.311 12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.636 1.291 10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.720 1.701 12.182 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.774 2.733 10.638 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.432 2.279 12.296 1.00 0.00 H new ATOM 349 N GLU A 413 -7.252 -2.449 9.836 1.00 0.00 N ATOM 350 CA GLU A 413 -7.615 -3.258 8.692 1.00 0.00 C ATOM 351 C GLU A 413 -9.123 -3.156 8.468 1.00 0.00 C ATOM 352 O GLU A 413 -9.889 -3.099 9.428 1.00 0.00 O ATOM 353 CB GLU A 413 -7.172 -4.703 8.940 1.00 0.00 C ATOM 354 CG GLU A 413 -5.691 -4.814 9.290 1.00 0.00 C ATOM 355 CD GLU A 413 -5.313 -6.142 9.922 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.744 -6.140 11.040 1.00 0.00 O ATOM 357 OE2 GLU A 413 -5.550 -7.193 9.298 1.00 0.00 O ATOM 0 H GLU A 413 -7.356 -2.927 10.731 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.115 -2.903 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -7.765 -5.126 9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.376 -5.299 8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.101 -4.671 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.427 -4.007 9.974 1.00 0.00 H new ATOM 364 N LYS A 414 -9.549 -3.103 7.210 1.00 0.00 N ATOM 365 CA LYS A 414 -10.969 -2.976 6.900 1.00 0.00 C ATOM 366 C LYS A 414 -11.481 -4.159 6.084 1.00 0.00 C ATOM 367 O LYS A 414 -12.655 -4.518 6.178 1.00 0.00 O ATOM 368 CB LYS A 414 -11.239 -1.669 6.156 1.00 0.00 C ATOM 369 CG LYS A 414 -11.455 -0.482 7.080 1.00 0.00 C ATOM 370 CD LYS A 414 -10.759 0.764 6.562 1.00 0.00 C ATOM 371 CE LYS A 414 -11.637 1.562 5.610 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.169 2.970 5.462 1.00 0.00 N ATOM 0 H LYS A 414 -8.937 -3.146 6.395 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.508 -2.968 7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.400 -1.456 5.494 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.119 -1.794 5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.523 -0.288 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.080 -0.722 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.473 1.394 7.404 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.839 0.478 6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.645 1.078 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.664 1.558 5.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.209 3.246 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -11.781 3.600 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.190 3.048 5.803 1.00 0.00 H new ATOM 786 N VAL B 8 0.142 -2.787 -10.960 1.00 0.00 N ATOM 787 CA VAL B 8 0.081 -1.569 -10.172 1.00 0.00 C ATOM 788 C VAL B 8 -1.360 -1.082 -10.081 1.00 0.00 C ATOM 789 O VAL B 8 -1.939 -0.640 -11.073 1.00 0.00 O ATOM 790 CB VAL B 8 0.959 -0.451 -10.773 1.00 0.00 C ATOM 791 CG1 VAL B 8 1.040 0.732 -9.824 1.00 0.00 C ATOM 792 CG2 VAL B 8 2.351 -0.974 -11.099 1.00 0.00 C ATOM 0 HA VAL B 8 0.462 -1.803 -9.178 1.00 0.00 H new ATOM 0 HB VAL B 8 0.496 -0.116 -11.701 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.663 1.510 -10.265 1.00 0.00 H new ATOM 0 HG12 VAL B 8 0.039 1.126 -9.647 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.476 0.410 -8.878 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.952 -0.169 -11.521 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.824 -1.341 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL B 8 2.274 -1.787 -11.821 1.00 0.00 H new ATOM 802 N LEU B 9 -1.932 -1.179 -8.893 1.00 0.00 N ATOM 803 CA LEU B 9 -3.309 -0.765 -8.667 1.00 0.00 C ATOM 804 C LEU B 9 -3.380 0.695 -8.235 1.00 0.00 C ATOM 805 O LEU B 9 -4.331 1.401 -8.559 1.00 0.00 O ATOM 806 CB LEU B 9 -3.963 -1.647 -7.598 1.00 0.00 C ATOM 807 CG LEU B 9 -3.793 -3.157 -7.789 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.441 -3.910 -6.638 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.386 -3.603 -9.117 1.00 0.00 C ATOM 0 H LEU B 9 -1.462 -1.543 -8.064 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.848 -0.877 -9.608 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.552 -1.374 -6.626 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.029 -1.421 -7.568 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.727 -3.384 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.313 -4.982 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.971 -3.615 -5.700 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.504 -3.674 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.254 -4.679 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.449 -3.364 -9.139 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.880 -3.087 -9.933 1.00 0.00 H new ATOM 821 N LEU B 10 -2.372 1.146 -7.500 1.00 0.00 N ATOM 822 CA LEU B 10 -2.351 2.527 -7.027 1.00 0.00 C ATOM 823 C LEU B 10 -1.010 3.187 -7.307 1.00 0.00 C ATOM 824 O LEU B 10 0.041 2.578 -7.120 1.00 0.00 O ATOM 825 CB LEU B 10 -2.659 2.578 -5.533 1.00 0.00 C ATOM 826 CG LEU B 10 -3.080 3.954 -5.010 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.491 4.303 -5.458 1.00 0.00 C ATOM 828 CD2 LEU B 10 -2.984 3.998 -3.499 1.00 0.00 C ATOM 0 H LEU B 10 -1.567 0.585 -7.220 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.119 3.079 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.453 1.864 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.777 2.250 -4.983 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.398 4.695 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.763 5.285 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.534 4.317 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.189 3.557 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.287 4.983 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.640 3.240 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -1.956 3.802 -3.194 1.00 0.00 H new ATOM 840 N ILE B 11 -1.056 4.437 -7.752 1.00 0.00 N ATOM 841 CA ILE B 11 0.151 5.187 -8.065 1.00 0.00 C ATOM 842 C ILE B 11 0.188 6.509 -7.303 1.00 0.00 C ATOM 843 O ILE B 11 -0.677 7.364 -7.483 1.00 0.00 O ATOM 844 CB ILE B 11 0.259 5.476 -9.582 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.309 4.165 -10.373 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.487 6.329 -9.880 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.307 4.354 -11.875 1.00 0.00 C ATOM 0 H ILE B 11 -1.922 4.954 -7.904 1.00 0.00 H new ATOM 0 HA ILE B 11 0.996 4.570 -7.760 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.626 6.032 -9.891 1.00 0.00 H new ATOM 0 HG12 ILE B 11 1.205 3.614 -10.087 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.546 3.550 -10.093 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.545 6.521 -10.951 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.411 7.276 -9.345 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.384 5.801 -9.557 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.344 3.381 -12.364 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.601 4.877 -12.175 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.177 4.941 -12.169 1.00 0.00 H new ATOM 859 N VAL B 12 1.180 6.649 -6.437 1.00 0.00 N ATOM 860 CA VAL B 12 1.375 7.862 -5.651 1.00 0.00 C ATOM 861 C VAL B 12 2.720 8.473 -6.023 1.00 0.00 C ATOM 862 O VAL B 12 3.704 7.749 -6.188 1.00 0.00 O ATOM 863 CB VAL B 12 1.335 7.560 -4.137 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.719 8.787 -3.324 1.00 0.00 C ATOM 865 CG2 VAL B 12 -0.043 7.066 -3.734 1.00 0.00 C ATOM 0 H VAL B 12 1.875 5.924 -6.258 1.00 0.00 H new ATOM 0 HA VAL B 12 0.568 8.561 -5.871 1.00 0.00 H new ATOM 0 HB VAL B 12 2.063 6.777 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.682 8.546 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.729 9.099 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL B 12 1.021 9.597 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.056 6.857 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.785 7.831 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.278 6.155 -4.284 1.00 0.00 H new ATOM 875 N LYS B 13 2.777 9.790 -6.161 1.00 0.00 N ATOM 876 CA LYS B 13 4.021 10.442 -6.547 1.00 0.00 C ATOM 877 C LYS B 13 4.675 11.157 -5.373 1.00 0.00 C ATOM 878 O LYS B 13 4.040 11.394 -4.349 1.00 0.00 O ATOM 879 CB LYS B 13 3.785 11.414 -7.704 1.00 0.00 C ATOM 880 CG LYS B 13 3.949 10.766 -9.072 1.00 0.00 C ATOM 881 CD LYS B 13 5.287 10.048 -9.181 1.00 0.00 C ATOM 882 CE LYS B 13 5.473 9.387 -10.539 1.00 0.00 C ATOM 883 NZ LYS B 13 6.792 8.707 -10.645 1.00 0.00 N ATOM 0 H LYS B 13 1.989 10.421 -6.014 1.00 0.00 H new ATOM 0 HA LYS B 13 4.707 9.663 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.780 11.828 -7.623 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.482 12.248 -7.618 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.138 10.058 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.876 11.527 -9.849 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.095 10.760 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.358 9.293 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.676 8.662 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.387 10.138 -11.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.165 8.822 -11.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.456 9.128 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.678 7.695 -10.436 1.00 0.00 H new ATOM 897 N LYS B 14 5.955 11.496 -5.559 1.00 0.00 N ATOM 898 CA LYS B 14 6.766 12.172 -4.553 1.00 0.00 C ATOM 899 C LYS B 14 6.627 11.538 -3.173 1.00 0.00 C ATOM 900 O LYS B 14 5.873 12.005 -2.323 1.00 0.00 O ATOM 901 CB LYS B 14 6.430 13.654 -4.518 1.00 0.00 C ATOM 902 CG LYS B 14 7.288 14.492 -5.452 1.00 0.00 C ATOM 903 CD LYS B 14 6.904 15.962 -5.400 1.00 0.00 C ATOM 904 CE LYS B 14 8.078 16.834 -4.978 1.00 0.00 C ATOM 905 NZ LYS B 14 8.273 16.838 -3.503 1.00 0.00 N ATOM 0 H LYS B 14 6.459 11.304 -6.425 1.00 0.00 H new ATOM 0 HA LYS B 14 7.811 12.057 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.381 13.787 -4.783 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.550 14.022 -3.499 1.00 0.00 H new ATOM 0 HG2 LYS B 14 8.338 14.380 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS B 14 7.182 14.124 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.548 16.280 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS B 14 6.079 16.098 -4.701 1.00 0.00 H new ATOM 0 HE2 LYS B 14 8.987 16.476 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.913 17.854 -5.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.384 17.817 -3.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 7.446 16.407 -3.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 9.126 16.293 -3.264 1.00 0.00 H new ATOM 919 N VAL B 15 7.353 10.452 -2.975 1.00 0.00 N ATOM 920 CA VAL B 15 7.351 9.735 -1.711 1.00 0.00 C ATOM 921 C VAL B 15 8.787 9.531 -1.243 1.00 0.00 C ATOM 922 O VAL B 15 9.544 8.788 -1.863 1.00 0.00 O ATOM 923 CB VAL B 15 6.647 8.364 -1.833 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.643 7.634 -0.498 1.00 0.00 C ATOM 925 CG2 VAL B 15 5.226 8.533 -2.350 1.00 0.00 C ATOM 0 H VAL B 15 7.960 10.042 -3.685 1.00 0.00 H new ATOM 0 HA VAL B 15 6.799 10.332 -0.985 1.00 0.00 H new ATOM 0 HB VAL B 15 7.206 7.762 -2.549 1.00 0.00 H new ATOM 0 HG11 VAL B 15 6.142 6.672 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.669 7.472 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.115 8.234 0.243 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.749 7.556 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.660 9.159 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL B 15 5.250 9.005 -3.332 1.00 0.00 H new ATOM 935 N ARG B 16 9.161 10.197 -0.162 1.00 0.00 N ATOM 936 CA ARG B 16 10.510 10.092 0.368 1.00 0.00 C ATOM 937 C ARG B 16 10.641 8.949 1.365 1.00 0.00 C ATOM 938 O ARG B 16 9.869 8.841 2.318 1.00 0.00 O ATOM 939 CB ARG B 16 10.948 11.391 1.053 1.00 0.00 C ATOM 940 CG ARG B 16 11.239 12.537 0.102 1.00 0.00 C ATOM 941 CD ARG B 16 12.259 13.509 0.683 1.00 0.00 C ATOM 942 NE ARG B 16 12.055 13.733 2.114 1.00 0.00 N ATOM 943 CZ ARG B 16 12.046 14.928 2.703 1.00 0.00 C ATOM 944 NH1 ARG B 16 12.331 16.028 2.018 1.00 0.00 N ATOM 945 NH2 ARG B 16 11.778 15.009 3.997 1.00 0.00 N ATOM 0 H ARG B 16 8.547 10.817 0.366 1.00 0.00 H new ATOM 0 HA ARG B 16 11.156 9.896 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.168 11.701 1.748 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.841 11.191 1.645 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.612 12.140 -0.842 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.314 13.070 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG B 16 13.264 13.121 0.517 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.194 14.460 0.155 1.00 0.00 H new ATOM 0 HE ARG B 16 11.909 12.914 2.704 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.561 15.966 1.026 1.00 0.00 H new ATOM 0 HH12 ARG B 16 12.320 16.936 2.483 1.00 0.00 H new ATOM 0 HH21 ARG B 16 11.582 14.163 4.531 1.00 0.00 H new ATOM 0 HH22 ARG B 16 11.768 15.918 4.460 1.00 0.00 H new ATOM 959 N GLN B 17 11.613 8.092 1.121 1.00 0.00 N ATOM 960 CA GLN B 17 11.906 6.988 2.008 1.00 0.00 C ATOM 961 C GLN B 17 13.303 7.207 2.570 1.00 0.00 C ATOM 962 O GLN B 17 14.298 6.968 1.886 1.00 0.00 O ATOM 963 CB GLN B 17 11.829 5.656 1.253 1.00 0.00 C ATOM 964 CG GLN B 17 11.321 4.492 2.095 1.00 0.00 C ATOM 965 CD GLN B 17 12.354 3.954 3.072 1.00 0.00 C ATOM 966 OE1 GLN B 17 13.625 4.041 2.709 1.00 0.00 O flip ATOM 967 NE2 GLN B 17 12.012 3.462 4.146 1.00 0.00 N flip ATOM 0 H GLN B 17 12.220 8.143 0.303 1.00 0.00 H new ATOM 0 HA GLN B 17 11.176 6.946 2.816 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.176 5.778 0.389 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.820 5.409 0.871 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.440 4.813 2.650 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.004 3.686 1.433 1.00 0.00 H new ATOM 0 HE21 GLN B 17 11.023 3.412 4.392 1.00 0.00 H new ATOM 0 HE22 GLN B 17 12.717 3.104 4.791 1.00 0.00 H new ATOM 976 N LYS B 18 13.356 7.664 3.816 1.00 0.00 N ATOM 977 CA LYS B 18 14.606 7.950 4.509 1.00 0.00 C ATOM 978 C LYS B 18 15.577 8.780 3.654 1.00 0.00 C ATOM 979 O LYS B 18 16.655 8.306 3.289 1.00 0.00 O ATOM 980 CB LYS B 18 15.255 6.651 4.967 1.00 0.00 C ATOM 981 CG LYS B 18 14.832 6.203 6.363 1.00 0.00 C ATOM 982 CD LYS B 18 15.103 7.271 7.420 1.00 0.00 C ATOM 983 CE LYS B 18 13.833 8.024 7.792 1.00 0.00 C ATOM 984 NZ LYS B 18 14.022 8.914 8.971 1.00 0.00 N ATOM 0 H LYS B 18 12.525 7.848 4.378 1.00 0.00 H new ATOM 0 HA LYS B 18 14.367 8.558 5.381 1.00 0.00 H new ATOM 0 HB2 LYS B 18 15.010 5.864 4.254 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.338 6.772 4.948 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.769 5.961 6.358 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.366 5.290 6.627 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.524 6.804 8.310 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.847 7.974 7.046 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.505 8.620 6.940 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.039 7.308 8.005 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.168 9.491 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.192 8.336 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.838 9.538 8.808 1.00 0.00 H new ATOM 998 N LYS B 19 15.166 10.017 3.357 1.00 0.00 N ATOM 999 CA LYS B 19 15.946 10.981 2.579 1.00 0.00 C ATOM 1000 C LYS B 19 15.979 10.697 1.079 1.00 0.00 C ATOM 1001 O LYS B 19 16.732 11.344 0.352 1.00 0.00 O ATOM 1002 CB LYS B 19 17.358 11.053 3.126 1.00 0.00 C ATOM 1003 CG LYS B 19 17.557 12.105 4.198 1.00 0.00 C ATOM 1004 CD LYS B 19 17.035 13.461 3.762 1.00 0.00 C ATOM 1005 CE LYS B 19 17.750 14.591 4.478 1.00 0.00 C ATOM 1006 NZ LYS B 19 18.189 14.206 5.845 1.00 0.00 N ATOM 0 H LYS B 19 14.262 10.382 3.658 1.00 0.00 H new ATOM 0 HA LYS B 19 15.440 11.940 2.687 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.627 10.079 3.534 1.00 0.00 H new ATOM 0 HB3 LYS B 19 18.044 11.254 2.303 1.00 0.00 H new ATOM 0 HG2 LYS B 19 17.047 11.795 5.110 1.00 0.00 H new ATOM 0 HG3 LYS B 19 18.617 12.184 4.437 1.00 0.00 H new ATOM 0 HD2 LYS B 19 17.164 13.572 2.685 1.00 0.00 H new ATOM 0 HD3 LYS B 19 15.965 13.521 3.963 1.00 0.00 H new ATOM 0 HE2 LYS B 19 18.617 14.897 3.893 1.00 0.00 H new ATOM 0 HE3 LYS B 19 17.088 15.454 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 18.307 15.061 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 17.473 13.589 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 19.095 13.698 5.789 1.00 0.00 H new ATOM 1020 N GLN B 20 15.166 9.773 0.600 1.00 0.00 N ATOM 1021 CA GLN B 20 15.155 9.467 -0.828 1.00 0.00 C ATOM 1022 C GLN B 20 13.767 9.693 -1.406 1.00 0.00 C ATOM 1023 O GLN B 20 12.826 9.009 -1.029 1.00 0.00 O ATOM 1024 CB GLN B 20 15.586 8.016 -1.070 1.00 0.00 C ATOM 1025 CG GLN B 20 16.867 7.620 -0.349 1.00 0.00 C ATOM 1026 CD GLN B 20 18.113 8.234 -0.961 1.00 0.00 C ATOM 1027 OE1 GLN B 20 18.076 9.320 -1.538 1.00 0.00 O ATOM 1028 NE2 GLN B 20 19.228 7.534 -0.837 1.00 0.00 N ATOM 0 H GLN B 20 14.514 9.227 1.163 1.00 0.00 H new ATOM 0 HA GLN B 20 15.861 10.132 -1.325 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.782 7.352 -0.752 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.722 7.862 -2.141 1.00 0.00 H new ATOM 0 HG2 GLN B 20 16.796 7.923 0.696 1.00 0.00 H new ATOM 0 HG3 GLN B 20 16.962 6.534 -0.361 1.00 0.00 H new ATOM 0 HE21 GLN B 20 19.216 6.637 -0.351 1.00 0.00 H new ATOM 0 HE22 GLN B 20 20.100 7.891 -1.227 1.00 0.00 H new ATOM 1037 N ASP B 21 13.642 10.634 -2.333 1.00 0.00 N ATOM 1038 CA ASP B 21 12.345 10.927 -2.937 1.00 0.00 C ATOM 1039 C ASP B 21 12.070 9.970 -4.090 1.00 0.00 C ATOM 1040 O ASP B 21 12.987 9.565 -4.813 1.00 0.00 O ATOM 1041 CB ASP B 21 12.275 12.381 -3.425 1.00 0.00 C ATOM 1042 CG ASP B 21 10.893 12.996 -3.240 1.00 0.00 C ATOM 1043 OD1 ASP B 21 10.810 14.196 -2.889 1.00 0.00 O ATOM 1044 OD2 ASP B 21 9.889 12.280 -3.424 1.00 0.00 O ATOM 0 H ASP B 21 14.413 11.203 -2.682 1.00 0.00 H new ATOM 0 HA ASP B 21 11.580 10.790 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.009 12.978 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.548 12.420 -4.480 1.00 0.00 H new ATOM 1049 N GLY B 22 10.812 9.607 -4.255 1.00 0.00 N ATOM 1050 CA GLY B 22 10.435 8.693 -5.306 1.00 0.00 C ATOM 1051 C GLY B 22 8.938 8.597 -5.471 1.00 0.00 C ATOM 1052 O GLY B 22 8.239 9.601 -5.405 1.00 0.00 O ATOM 0 H GLY B 22 10.039 9.932 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.882 9.019 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.838 7.704 -5.087 1.00 0.00 H new ATOM 1056 N ALA B 23 8.446 7.389 -5.683 1.00 0.00 N ATOM 1057 CA ALA B 23 7.023 7.170 -5.856 1.00 0.00 C ATOM 1058 C ALA B 23 6.607 5.824 -5.287 1.00 0.00 C ATOM 1059 O ALA B 23 7.355 4.846 -5.361 1.00 0.00 O ATOM 1060 CB ALA B 23 6.653 7.261 -7.326 1.00 0.00 C ATOM 0 H ALA B 23 9.014 6.543 -5.739 1.00 0.00 H new ATOM 0 HA ALA B 23 6.489 7.947 -5.310 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.582 7.095 -7.443 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.910 8.250 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.201 6.504 -7.887 1.00 0.00 H new ATOM 1066 N LEU B 24 5.414 5.783 -4.720 1.00 0.00 N ATOM 1067 CA LEU B 24 4.885 4.565 -4.134 1.00 0.00 C ATOM 1068 C LEU B 24 3.846 3.954 -5.061 1.00 0.00 C ATOM 1069 O LEU B 24 2.939 4.640 -5.535 1.00 0.00 O ATOM 1070 CB LEU B 24 4.271 4.851 -2.764 1.00 0.00 C ATOM 1071 CG LEU B 24 3.918 3.607 -1.955 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.163 3.007 -1.324 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.882 3.937 -0.893 1.00 0.00 C ATOM 0 H LEU B 24 4.789 6.587 -4.653 1.00 0.00 H new ATOM 0 HA LEU B 24 5.703 3.856 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.969 5.458 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.369 5.447 -2.902 1.00 0.00 H new ATOM 0 HG LEU B 24 3.490 2.868 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.890 2.121 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.870 2.730 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.624 3.739 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.643 3.037 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.281 4.695 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU B 24 1.979 4.315 -1.371 1.00 0.00 H new ATOM 1085 N TYR B 25 3.990 2.669 -5.325 1.00 0.00 N ATOM 1086 CA TYR B 25 3.075 1.966 -6.208 1.00 0.00 C ATOM 1087 C TYR B 25 2.462 0.759 -5.508 1.00 0.00 C ATOM 1088 O TYR B 25 3.169 -0.182 -5.140 1.00 0.00 O ATOM 1089 CB TYR B 25 3.804 1.508 -7.477 1.00 0.00 C ATOM 1090 CG TYR B 25 4.547 2.614 -8.203 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.903 2.825 -7.985 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.894 3.439 -9.109 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.586 3.827 -8.649 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.571 4.444 -9.777 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.916 4.634 -9.543 1.00 0.00 C ATOM 1096 OH TYR B 25 6.597 5.635 -10.208 1.00 0.00 O ATOM 0 H TYR B 25 4.734 2.088 -4.940 1.00 0.00 H new ATOM 0 HA TYR B 25 2.276 2.656 -6.480 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.513 0.723 -7.212 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.078 1.065 -8.159 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.432 2.196 -7.285 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.840 3.294 -9.295 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.640 3.977 -8.468 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.048 5.077 -10.479 1.00 0.00 H new ATOM 0 HH TYR B 25 6.059 5.951 -10.964 1.00 0.00 H new ATOM 1106 N LEU B 26 1.151 0.792 -5.313 1.00 0.00 N ATOM 1107 CA LEU B 26 0.456 -0.322 -4.682 1.00 0.00 C ATOM 1108 C LEU B 26 0.183 -1.379 -5.728 1.00 0.00 C ATOM 1109 O LEU B 26 -0.276 -1.061 -6.822 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.867 0.112 -4.048 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.758 1.087 -2.879 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -2.000 1.006 -2.006 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.483 0.807 -2.057 1.00 0.00 C ATOM 0 H LEU B 26 0.551 1.572 -5.580 1.00 0.00 H new ATOM 0 HA LEU B 26 1.092 -0.713 -3.887 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.485 0.569 -4.821 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.393 -0.779 -3.705 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.679 2.096 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.908 1.707 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.879 1.259 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.105 -0.006 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.539 1.515 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.437 -0.208 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.367 0.913 -2.685 1.00 0.00 H new ATOM 1125 N MET B 27 0.462 -2.626 -5.409 1.00 0.00 N ATOM 1126 CA MET B 27 0.252 -3.701 -6.356 1.00 0.00 C ATOM 1127 C MET B 27 -0.738 -4.716 -5.806 1.00 0.00 C ATOM 1128 O MET B 27 -1.050 -4.699 -4.616 1.00 0.00 O ATOM 1129 CB MET B 27 1.575 -4.375 -6.696 1.00 0.00 C ATOM 1130 CG MET B 27 2.774 -3.446 -6.613 1.00 0.00 C ATOM 1131 SD MET B 27 4.266 -4.170 -7.309 1.00 0.00 S ATOM 1132 CE MET B 27 4.488 -3.113 -8.733 1.00 0.00 C ATOM 0 H MET B 27 0.833 -2.919 -4.505 1.00 0.00 H new ATOM 0 HA MET B 27 -0.166 -3.278 -7.269 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.730 -5.214 -6.018 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.514 -4.786 -7.704 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.546 -2.519 -7.139 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.954 -3.185 -5.570 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.484 -3.267 -9.149 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.738 -3.355 -9.486 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.378 -2.071 -8.433 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.202 -5.601 -6.683 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.193 -6.624 -6.338 1.00 0.00 C ATOM 1144 C ALA B 28 -1.909 -7.339 -5.016 1.00 0.00 C ATOM 1145 O ALA B 28 -2.767 -7.369 -4.140 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.301 -7.639 -7.464 1.00 0.00 C ATOM 0 H ALA B 28 -0.902 -5.632 -7.657 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.140 -6.101 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.039 -8.397 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.609 -7.135 -8.380 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.333 -8.115 -7.619 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.712 -7.889 -4.849 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.394 -8.609 -3.617 1.00 0.00 C ATOM 1154 C GLU B 29 0.765 -7.977 -2.853 1.00 0.00 C ATOM 1155 O GLU B 29 1.302 -8.588 -1.925 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.050 -10.071 -3.921 1.00 0.00 C ATOM 1157 CG GLU B 29 -1.207 -10.886 -4.473 1.00 0.00 C ATOM 1158 CD GLU B 29 -1.291 -12.265 -3.845 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -0.280 -12.729 -3.271 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -2.372 -12.888 -3.902 1.00 0.00 O ATOM 0 H GLU B 29 0.042 -7.853 -5.535 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.284 -8.554 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.771 -10.097 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.309 -10.545 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -2.141 -10.352 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.095 -10.987 -5.553 1.00 0.00 H new ATOM 1167 N ARG B 30 1.136 -6.748 -3.188 1.00 0.00 N ATOM 1168 CA ARG B 30 2.260 -6.124 -2.500 1.00 0.00 C ATOM 1169 C ARG B 30 2.282 -4.615 -2.671 1.00 0.00 C ATOM 1170 O ARG B 30 1.522 -4.050 -3.446 1.00 0.00 O ATOM 1171 CB ARG B 30 3.583 -6.703 -3.019 1.00 0.00 C ATOM 1172 CG ARG B 30 4.132 -5.988 -4.247 1.00 0.00 C ATOM 1173 CD ARG B 30 5.480 -6.546 -4.663 1.00 0.00 C ATOM 1174 NE ARG B 30 5.347 -7.792 -5.406 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.368 -8.464 -5.927 1.00 0.00 C ATOM 1176 NH1 ARG B 30 7.613 -8.037 -5.747 1.00 0.00 N ATOM 1177 NH2 ARG B 30 6.142 -9.571 -6.617 1.00 0.00 N ATOM 0 H ARG B 30 0.692 -6.178 -3.908 1.00 0.00 H new ATOM 0 HA ARG B 30 2.138 -6.341 -1.439 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.325 -6.657 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.438 -7.756 -3.259 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.426 -6.087 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.228 -4.923 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.003 -5.812 -5.276 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.092 -6.715 -3.777 1.00 0.00 H new ATOM 0 HE ARG B 30 4.410 -8.173 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.788 -7.190 -5.207 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.393 -8.556 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.187 -9.905 -6.747 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.923 -10.090 -7.019 1.00 0.00 H new ATOM 1191 N ILE B 31 3.162 -3.982 -1.922 1.00 0.00 N ATOM 1192 CA ILE B 31 3.355 -2.550 -1.991 1.00 0.00 C ATOM 1193 C ILE B 31 4.827 -2.286 -2.280 1.00 0.00 C ATOM 1194 O ILE B 31 5.707 -2.746 -1.546 1.00 0.00 O ATOM 1195 CB ILE B 31 2.916 -1.837 -0.688 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.458 -0.404 -0.642 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.370 -2.621 0.532 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.953 0.398 0.539 1.00 0.00 C ATOM 0 H ILE B 31 3.766 -4.450 -1.246 1.00 0.00 H new ATOM 0 HA ILE B 31 2.730 -2.145 -2.787 1.00 0.00 H new ATOM 0 HB ILE B 31 1.827 -1.789 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.547 -0.437 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.183 0.109 -1.563 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.052 -2.103 1.437 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.928 -3.617 0.510 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.457 -2.706 0.526 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.378 1.401 0.506 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.866 0.463 0.496 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.251 -0.092 1.466 1.00 0.00 H new ATOM 1210 N ALA B 32 5.102 -1.581 -3.363 1.00 0.00 N ATOM 1211 CA ALA B 32 6.474 -1.306 -3.740 1.00 0.00 C ATOM 1212 C ALA B 32 6.743 0.184 -3.866 1.00 0.00 C ATOM 1213 O ALA B 32 5.836 0.979 -4.113 1.00 0.00 O ATOM 1214 CB ALA B 32 6.812 -2.021 -5.036 1.00 0.00 C ATOM 0 H ALA B 32 4.399 -1.192 -3.991 1.00 0.00 H new ATOM 0 HA ALA B 32 7.117 -1.682 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.845 -1.808 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.686 -3.095 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.147 -1.674 -5.827 1.00 0.00 H new ATOM 1220 N TRP B 33 8.001 0.548 -3.692 1.00 0.00 N ATOM 1221 CA TRP B 33 8.425 1.933 -3.782 1.00 0.00 C ATOM 1222 C TRP B 33 9.682 2.033 -4.635 1.00 0.00 C ATOM 1223 O TRP B 33 10.586 1.198 -4.526 1.00 0.00 O ATOM 1224 CB TRP B 33 8.687 2.500 -2.381 1.00 0.00 C ATOM 1225 CG TRP B 33 9.249 3.891 -2.384 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.545 5.059 -2.396 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.635 4.259 -2.371 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.406 6.127 -2.401 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.693 5.663 -2.386 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.832 3.537 -2.353 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.897 6.359 -2.380 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 13.028 4.230 -2.347 1.00 0.00 C ATOM 1233 CH2 TRP B 33 13.052 5.628 -2.362 1.00 0.00 C ATOM 0 H TRP B 33 8.755 -0.107 -3.485 1.00 0.00 H new ATOM 0 HA TRP B 33 7.632 2.517 -4.249 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.754 2.497 -1.818 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.378 1.840 -1.856 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.468 5.132 -2.401 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.131 7.109 -2.414 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.822 2.457 -2.344 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.919 7.439 -2.389 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.959 3.683 -2.330 1.00 0.00 H new ATOM 0 HH2 TRP B 33 14.003 6.141 -2.359 1.00 0.00 H new ATOM 1244 N ALA B 34 9.729 3.045 -5.483 1.00 0.00 N ATOM 1245 CA ALA B 34 10.872 3.266 -6.351 1.00 0.00 C ATOM 1246 C ALA B 34 11.199 4.748 -6.410 1.00 0.00 C ATOM 1247 O ALA B 34 10.292 5.576 -6.481 1.00 0.00 O ATOM 1248 CB ALA B 34 10.591 2.735 -7.750 1.00 0.00 C ATOM 0 H ALA B 34 8.982 3.732 -5.589 1.00 0.00 H new ATOM 0 HA ALA B 34 11.728 2.728 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.459 2.909 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.387 1.665 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.726 3.250 -8.167 1.00 0.00 H new ATOM 1254 N PRO B 35 12.489 5.108 -6.348 1.00 0.00 N ATOM 1255 CA PRO B 35 12.914 6.506 -6.427 1.00 0.00 C ATOM 1256 C PRO B 35 12.484 7.121 -7.756 1.00 0.00 C ATOM 1257 O PRO B 35 12.346 6.410 -8.753 1.00 0.00 O ATOM 1258 CB PRO B 35 14.442 6.436 -6.324 1.00 0.00 C ATOM 1259 CG PRO B 35 14.733 5.099 -5.731 1.00 0.00 C ATOM 1260 CD PRO B 35 13.627 4.191 -6.192 1.00 0.00 C ATOM 0 HA PRO B 35 12.473 7.128 -5.648 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.908 6.542 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.832 7.238 -5.697 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.704 4.729 -6.060 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.765 5.153 -4.643 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.877 3.695 -7.130 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.417 3.408 -5.463 1.00 0.00 H new ATOM 1368 N THR B 42 12.784 -0.450 -5.567 1.00 0.00 N ATOM 1369 CA THR B 42 13.795 -0.815 -4.587 1.00 0.00 C ATOM 1370 C THR B 42 13.159 -1.460 -3.358 1.00 0.00 C ATOM 1371 O THR B 42 13.718 -2.378 -2.759 1.00 0.00 O ATOM 1372 CB THR B 42 14.608 0.420 -4.159 1.00 0.00 C ATOM 1373 OG1 THR B 42 13.775 1.586 -4.207 1.00 0.00 O ATOM 1374 CG2 THR B 42 15.816 0.616 -5.064 1.00 0.00 C ATOM 0 HA THR B 42 14.463 -1.537 -5.056 1.00 0.00 H new ATOM 0 HB THR B 42 14.963 0.263 -3.140 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.022 1.425 -4.813 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.374 1.495 -4.741 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.459 -0.263 -5.008 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.482 0.756 -6.092 1.00 0.00 H new ATOM 1382 N ILE B 43 11.984 -0.972 -2.988 1.00 0.00 N ATOM 1383 CA ILE B 43 11.262 -1.498 -1.840 1.00 0.00 C ATOM 1384 C ILE B 43 10.115 -2.378 -2.320 1.00 0.00 C ATOM 1385 O ILE B 43 9.344 -1.967 -3.181 1.00 0.00 O ATOM 1386 CB ILE B 43 10.698 -0.359 -0.958 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.836 0.475 -0.355 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.802 -0.915 0.142 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.614 -0.235 0.736 1.00 0.00 C ATOM 0 H ILE B 43 11.509 -0.209 -3.469 1.00 0.00 H new ATOM 0 HA ILE B 43 11.960 -2.082 -1.240 1.00 0.00 H new ATOM 0 HB ILE B 43 10.095 0.290 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.524 0.759 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.420 1.397 0.051 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.418 -0.094 0.748 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.969 -1.456 -0.306 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.378 -1.593 0.772 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.400 0.422 1.109 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.941 -0.495 1.553 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.062 -1.143 0.332 1.00 0.00 H new ATOM 1401 N SER B 44 10.012 -3.583 -1.776 1.00 0.00 N ATOM 1402 CA SER B 44 8.956 -4.504 -2.167 1.00 0.00 C ATOM 1403 C SER B 44 8.451 -5.293 -0.961 1.00 0.00 C ATOM 1404 O SER B 44 9.098 -6.237 -0.511 1.00 0.00 O ATOM 1405 CB SER B 44 9.466 -5.461 -3.253 1.00 0.00 C ATOM 1406 OG SER B 44 8.467 -6.393 -3.636 1.00 0.00 O ATOM 0 H SER B 44 10.646 -3.944 -1.064 1.00 0.00 H new ATOM 0 HA SER B 44 8.125 -3.924 -2.568 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.784 -4.888 -4.124 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.342 -5.996 -2.886 1.00 0.00 H new ATOM 0 HG SER B 44 8.839 -7.299 -3.614 1.00 0.00 H new ATOM 1412 N HIS B 45 7.300 -4.897 -0.437 1.00 0.00 N ATOM 1413 CA HIS B 45 6.706 -5.578 0.706 1.00 0.00 C ATOM 1414 C HIS B 45 5.400 -6.222 0.306 1.00 0.00 C ATOM 1415 O HIS B 45 4.492 -5.549 -0.172 1.00 0.00 O ATOM 1416 CB HIS B 45 6.459 -4.605 1.863 1.00 0.00 C ATOM 1417 CG HIS B 45 7.692 -4.221 2.617 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.404 -5.080 3.424 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.330 -3.031 2.686 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.428 -4.396 3.950 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.430 -3.147 3.531 1.00 0.00 N ATOM 0 H HIS B 45 6.758 -4.106 -0.785 1.00 0.00 H new ATOM 0 HA HIS B 45 7.406 -6.344 1.039 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.992 -3.702 1.470 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.749 -5.056 2.556 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.189 -6.063 3.591 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.033 -2.132 2.167 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.157 -4.814 4.629 1.00 0.00 H new ATOM 1429 N MET B 46 5.304 -7.524 0.490 1.00 0.00 N ATOM 1430 CA MET B 46 4.090 -8.232 0.146 1.00 0.00 C ATOM 1431 C MET B 46 3.059 -7.997 1.233 1.00 0.00 C ATOM 1432 O MET B 46 3.407 -7.860 2.405 1.00 0.00 O ATOM 1433 CB MET B 46 4.346 -9.736 -0.007 1.00 0.00 C ATOM 1434 CG MET B 46 5.606 -10.081 -0.786 1.00 0.00 C ATOM 1435 SD MET B 46 5.549 -9.531 -2.503 1.00 0.00 S ATOM 1436 CE MET B 46 4.190 -10.514 -3.139 1.00 0.00 C ATOM 0 H MET B 46 6.047 -8.108 0.873 1.00 0.00 H new ATOM 0 HA MET B 46 3.725 -7.856 -0.810 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.412 -10.184 0.984 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.489 -10.190 -0.505 1.00 0.00 H new ATOM 0 HG2 MET B 46 6.466 -9.627 -0.294 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.757 -11.160 -0.761 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.233 -10.533 -4.228 1.00 0.00 H new ATOM 0 HE2 MET B 46 4.266 -11.531 -2.755 1.00 0.00 H new ATOM 0 HE3 MET B 46 3.244 -10.076 -2.821 1.00 0.00 H new ATOM 1446 N TYR B 47 1.796 -7.933 0.847 1.00 0.00 N ATOM 1447 CA TYR B 47 0.719 -7.723 1.810 1.00 0.00 C ATOM 1448 C TYR B 47 0.682 -8.870 2.813 1.00 0.00 C ATOM 1449 O TYR B 47 0.246 -8.705 3.949 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.636 -7.610 1.106 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.794 -6.374 0.250 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -1.604 -6.392 -0.878 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -0.139 -5.191 0.565 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -1.754 -5.270 -1.666 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -0.285 -4.063 -0.218 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.093 -4.109 -1.333 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.240 -2.991 -2.121 1.00 0.00 O ATOM 0 H TYR B 47 1.488 -8.023 -0.121 1.00 0.00 H new ATOM 0 HA TYR B 47 0.914 -6.788 2.335 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -0.782 -8.491 0.481 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.425 -7.619 1.858 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -2.125 -7.300 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR B 47 0.496 -5.152 1.438 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -2.387 -5.302 -2.540 1.00 0.00 H new ATOM 0 HE2 TYR B 47 0.231 -3.151 0.042 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.216 -3.251 -3.066 1.00 0.00 H new ATOM 1467 N ALA B 48 1.185 -10.024 2.386 1.00 0.00 N ATOM 1468 CA ALA B 48 1.219 -11.216 3.222 1.00 0.00 C ATOM 1469 C ALA B 48 2.312 -11.135 4.284 1.00 0.00 C ATOM 1470 O ALA B 48 2.497 -12.076 5.059 1.00 0.00 O ATOM 1471 CB ALA B 48 1.430 -12.451 2.357 1.00 0.00 C ATOM 0 H ALA B 48 1.579 -10.158 1.455 1.00 0.00 H new ATOM 0 HA ALA B 48 0.261 -11.286 3.736 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.454 -13.338 2.989 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.613 -12.538 1.641 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.374 -12.362 1.820 1.00 0.00 H new ATOM 1477 N ASP B 49 3.042 -10.027 4.310 1.00 0.00 N ATOM 1478 CA ASP B 49 4.116 -9.848 5.278 1.00 0.00 C ATOM 1479 C ASP B 49 3.890 -8.607 6.136 1.00 0.00 C ATOM 1480 O ASP B 49 4.705 -8.288 7.002 1.00 0.00 O ATOM 1481 CB ASP B 49 5.470 -9.746 4.568 1.00 0.00 C ATOM 1482 CG ASP B 49 5.825 -11.010 3.812 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.823 -10.978 2.565 1.00 0.00 O ATOM 1484 OD2 ASP B 49 6.091 -12.044 4.467 1.00 0.00 O ATOM 0 H ASP B 49 2.910 -9.241 3.674 1.00 0.00 H new ATOM 0 HA ASP B 49 4.118 -10.721 5.930 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.451 -8.905 3.875 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.247 -9.536 5.303 1.00 0.00 H new ATOM 1489 N ILE B 50 2.775 -7.925 5.918 1.00 0.00 N ATOM 1490 CA ILE B 50 2.467 -6.716 6.670 1.00 0.00 C ATOM 1491 C ILE B 50 1.371 -6.976 7.708 1.00 0.00 C ATOM 1492 O ILE B 50 0.283 -7.426 7.364 1.00 0.00 O ATOM 1493 CB ILE B 50 2.010 -5.579 5.734 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.036 -5.363 4.621 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.800 -4.296 6.526 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.519 -4.531 3.471 1.00 0.00 C ATOM 0 H ILE B 50 2.070 -8.187 5.229 1.00 0.00 H new ATOM 0 HA ILE B 50 3.383 -6.416 7.180 1.00 0.00 H new ATOM 0 HB ILE B 50 1.061 -5.861 5.277 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.918 -4.878 5.041 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.356 -6.333 4.241 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.478 -3.502 5.853 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.037 -4.459 7.287 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.735 -4.008 7.006 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.302 -4.421 2.721 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.656 -5.024 3.024 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.226 -3.547 3.837 1.00 0.00 H new ATOM 1508 N LYS B 51 1.664 -6.689 8.972 1.00 0.00 N ATOM 1509 CA LYS B 51 0.706 -6.883 10.057 1.00 0.00 C ATOM 1510 C LYS B 51 -0.392 -5.821 9.991 1.00 0.00 C ATOM 1511 O LYS B 51 -1.580 -6.140 9.909 1.00 0.00 O ATOM 1512 CB LYS B 51 1.443 -6.835 11.408 1.00 0.00 C ATOM 1513 CG LYS B 51 0.606 -6.349 12.591 1.00 0.00 C ATOM 1514 CD LYS B 51 -0.598 -7.239 12.852 1.00 0.00 C ATOM 1515 CE LYS B 51 -1.821 -6.420 13.231 1.00 0.00 C ATOM 1516 NZ LYS B 51 -3.090 -7.151 12.955 1.00 0.00 N ATOM 0 H LYS B 51 2.565 -6.318 9.273 1.00 0.00 H new ATOM 0 HA LYS B 51 0.232 -7.859 9.953 1.00 0.00 H new ATOM 0 HB2 LYS B 51 1.817 -7.833 11.635 1.00 0.00 H new ATOM 0 HB3 LYS B 51 2.311 -6.184 11.307 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.230 -6.315 13.484 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.267 -5.331 12.399 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -0.815 -7.830 11.962 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -0.366 -7.942 13.652 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -1.773 -6.165 14.290 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -1.815 -5.482 12.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -3.600 -6.681 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -2.874 -8.131 12.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.683 -7.152 13.809 1.00 0.00 H new ATOM 1530 N CYS B 52 0.019 -4.567 10.035 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.899 -3.443 9.978 1.00 0.00 C ATOM 1532 C CYS B 52 -0.157 -2.242 9.436 1.00 0.00 C ATOM 1533 O CYS B 52 1.028 -2.342 9.113 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.485 -3.131 11.356 1.00 0.00 C ATOM 1535 SG CYS B 52 -0.258 -2.907 12.664 1.00 0.00 S ATOM 0 H CYS B 52 1.000 -4.298 10.111 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.732 -3.696 9.323 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -2.088 -2.226 11.283 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.157 -3.940 11.642 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.856 -2.566 13.767 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.812 -1.102 9.344 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.160 0.055 8.817 1.00 0.00 C ATOM 1543 C GLN B 53 -0.396 1.207 9.771 1.00 0.00 C ATOM 1544 O GLN B 53 -1.170 1.071 10.704 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.726 0.317 7.420 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.233 0.201 7.375 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.857 0.988 6.251 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.278 1.940 5.737 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -4.069 0.616 5.890 1.00 0.00 N ATOM 0 H GLN B 53 -1.782 -0.963 9.626 1.00 0.00 H new ATOM 0 HA GLN B 53 0.918 -0.079 8.723 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.432 1.314 7.093 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.289 -0.391 6.716 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.507 -0.849 7.270 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.646 0.545 8.323 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.514 -0.182 6.344 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.562 1.126 5.157 1.00 0.00 H new ATOM 1558 N LYS B 54 0.340 2.284 9.612 1.00 0.00 N ATOM 1559 CA LYS B 54 0.173 3.474 10.431 1.00 0.00 C ATOM 1560 C LYS B 54 0.408 4.661 9.538 1.00 0.00 C ATOM 1561 O LYS B 54 0.943 4.514 8.446 1.00 0.00 O ATOM 1562 CB LYS B 54 1.158 3.523 11.606 1.00 0.00 C ATOM 1563 CG LYS B 54 1.407 2.191 12.286 1.00 0.00 C ATOM 1564 CD LYS B 54 1.271 2.320 13.791 1.00 0.00 C ATOM 1565 CE LYS B 54 1.917 1.155 14.508 1.00 0.00 C ATOM 1566 NZ LYS B 54 1.251 -0.140 14.206 1.00 0.00 N ATOM 0 H LYS B 54 1.075 2.364 8.910 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.829 3.471 10.860 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.110 3.915 11.247 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.782 4.228 12.347 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.699 1.450 11.915 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.405 1.831 12.036 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.731 3.252 14.120 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.216 2.373 14.059 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.967 1.095 14.223 1.00 0.00 H new ATOM 0 HE3 LYS B 54 1.888 1.333 15.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 1.972 -0.876 14.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.637 -0.408 15.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 0.678 -0.043 13.344 1.00 0.00 H new ATOM 1580 N ILE B 55 0.000 5.821 9.973 1.00 0.00 N ATOM 1581 CA ILE B 55 0.183 7.014 9.162 1.00 0.00 C ATOM 1582 C ILE B 55 0.598 8.189 10.002 1.00 0.00 C ATOM 1583 O ILE B 55 0.018 8.397 11.035 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.145 7.400 8.478 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.272 7.220 9.485 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.391 6.571 7.233 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.657 7.547 9.003 1.00 0.00 C ATOM 0 H ILE B 55 -0.457 5.975 10.872 1.00 0.00 H new ATOM 0 HA ILE B 55 0.956 6.784 8.429 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.097 8.440 8.156 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.264 6.184 9.825 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.057 7.842 10.354 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.335 6.870 6.777 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.579 6.730 6.523 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.436 5.516 7.502 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.372 7.380 9.809 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.697 8.591 8.693 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.908 6.908 8.157 1.00 0.00 H new ATOM 1599 N SER B 56 1.603 8.950 9.599 1.00 0.00 N ATOM 1600 CA SER B 56 1.938 10.124 10.374 1.00 0.00 C ATOM 1601 C SER B 56 0.755 11.051 10.179 1.00 0.00 C ATOM 1602 O SER B 56 0.538 11.555 9.056 1.00 0.00 O ATOM 1603 CB SER B 56 3.278 10.749 9.961 1.00 0.00 C ATOM 1604 OG SER B 56 3.157 11.607 8.846 1.00 0.00 O ATOM 0 H SER B 56 2.178 8.783 8.773 1.00 0.00 H new ATOM 0 HA SER B 56 2.095 9.891 11.427 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.688 11.308 10.802 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.988 9.956 9.729 1.00 0.00 H new ATOM 0 HG SER B 56 2.228 11.908 8.764 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.039 11.210 11.266 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.300 11.958 11.285 1.00 0.00 C ATOM 1612 C PRO B 57 -1.173 13.410 10.845 1.00 0.00 C ATOM 1613 O PRO B 57 -0.068 13.957 10.753 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.723 11.930 12.761 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.488 11.596 13.511 1.00 0.00 C ATOM 1616 CD PRO B 57 0.289 10.705 12.609 1.00 0.00 C ATOM 0 HA PRO B 57 -2.007 11.508 10.588 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.126 12.893 13.074 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.502 11.187 12.934 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.077 12.495 13.759 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.722 11.097 14.451 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.359 10.763 12.810 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.001 9.661 12.728 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.314 14.025 10.566 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.351 15.423 10.198 1.00 0.00 C ATOM 1626 C GLU B 58 -1.835 16.239 11.379 1.00 0.00 C ATOM 1627 O GLU B 58 -2.073 15.888 12.534 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.774 15.849 9.821 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.125 15.609 8.354 1.00 0.00 C ATOM 1630 CD GLU B 58 -4.588 14.189 8.063 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -5.353 13.998 7.092 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.179 13.256 8.787 1.00 0.00 O ATOM 0 H GLU B 58 -3.227 13.571 10.589 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.721 15.595 9.325 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.483 15.307 10.447 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.897 16.909 10.045 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.909 16.306 8.058 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.253 15.831 7.739 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.154 17.329 11.094 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.584 18.139 12.150 1.00 0.00 C ATOM 1641 C GLY B 59 0.926 18.109 12.079 1.00 0.00 C ATOM 1642 O GLY B 59 1.591 19.086 12.425 1.00 0.00 O ATOM 0 H GLY B 59 -0.983 17.672 10.149 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.938 19.166 12.061 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.916 17.770 13.120 1.00 0.00 H new ATOM 1646 N LYS B 60 1.471 16.977 11.637 1.00 0.00 N ATOM 1647 CA LYS B 60 2.909 16.853 11.449 1.00 0.00 C ATOM 1648 C LYS B 60 3.313 17.733 10.272 1.00 0.00 C ATOM 1649 O LYS B 60 2.466 18.123 9.468 1.00 0.00 O ATOM 1650 CB LYS B 60 3.331 15.404 11.154 1.00 0.00 C ATOM 1651 CG LYS B 60 3.698 14.558 12.370 1.00 0.00 C ATOM 1652 CD LYS B 60 4.502 13.338 11.937 1.00 0.00 C ATOM 1653 CE LYS B 60 5.395 12.796 13.040 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.300 13.818 13.621 1.00 0.00 N ATOM 0 H LYS B 60 0.939 16.138 11.404 1.00 0.00 H new ATOM 0 HA LYS B 60 3.404 17.162 12.370 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.517 14.910 10.623 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.186 15.425 10.478 1.00 0.00 H new ATOM 0 HG2 LYS B 60 4.278 15.153 13.075 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.793 14.241 12.889 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.817 12.554 11.613 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.116 13.601 11.076 1.00 0.00 H new ATOM 0 HE2 LYS B 60 4.771 12.382 13.832 1.00 0.00 H new ATOM 0 HE3 LYS B 60 5.993 11.976 12.643 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.025 13.350 14.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.760 14.350 12.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.750 14.471 14.215 1.00 0.00 H new ATOM 1668 N ALA B 61 4.596 18.035 10.156 1.00 0.00 N ATOM 1669 CA ALA B 61 5.078 18.865 9.056 1.00 0.00 C ATOM 1670 C ALA B 61 5.033 18.098 7.738 1.00 0.00 C ATOM 1671 O ALA B 61 5.388 18.622 6.684 1.00 0.00 O ATOM 1672 CB ALA B 61 6.487 19.360 9.343 1.00 0.00 C ATOM 0 H ALA B 61 5.320 17.722 10.803 1.00 0.00 H new ATOM 0 HA ALA B 61 4.421 19.730 8.965 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.832 19.977 8.513 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.486 19.951 10.259 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.155 18.507 9.463 1.00 0.00 H new ATOM 1678 N LYS B 62 4.590 16.852 7.818 1.00 0.00 N ATOM 1679 CA LYS B 62 4.478 15.992 6.659 1.00 0.00 C ATOM 1680 C LYS B 62 3.527 14.842 6.959 1.00 0.00 C ATOM 1681 O LYS B 62 3.360 14.449 8.115 1.00 0.00 O ATOM 1682 CB LYS B 62 5.849 15.448 6.257 1.00 0.00 C ATOM 1683 CG LYS B 62 6.520 14.624 7.342 1.00 0.00 C ATOM 1684 CD LYS B 62 7.605 15.414 8.051 1.00 0.00 C ATOM 1685 CE LYS B 62 8.907 15.391 7.273 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.062 15.755 8.129 1.00 0.00 N ATOM 0 H LYS B 62 4.299 16.412 8.691 1.00 0.00 H new ATOM 0 HA LYS B 62 4.083 16.577 5.828 1.00 0.00 H new ATOM 0 HB2 LYS B 62 5.739 14.835 5.363 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.498 16.283 5.993 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.774 14.298 8.066 1.00 0.00 H new ATOM 0 HG3 LYS B 62 6.952 13.725 6.903 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.278 16.445 8.184 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.767 15.000 9.046 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.063 14.397 6.854 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.842 16.084 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.935 15.729 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.924 16.713 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 10.138 15.079 8.915 1.00 0.00 H new ATOM 1700 N ILE B 63 2.902 14.321 5.923 1.00 0.00 N ATOM 1701 CA ILE B 63 1.970 13.214 6.056 1.00 0.00 C ATOM 1702 C ILE B 63 2.631 11.951 5.520 1.00 0.00 C ATOM 1703 O ILE B 63 3.031 11.909 4.357 1.00 0.00 O ATOM 1704 CB ILE B 63 0.664 13.514 5.291 1.00 0.00 C ATOM 1705 CG1 ILE B 63 -0.055 14.707 5.925 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.242 12.302 5.269 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.241 16.030 5.246 1.00 0.00 C ATOM 0 H ILE B 63 3.024 14.651 4.965 1.00 0.00 H new ATOM 0 HA ILE B 63 1.714 13.072 7.106 1.00 0.00 H new ATOM 0 HB ILE B 63 0.919 13.762 4.261 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -1.130 14.528 5.898 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.231 14.776 6.975 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.155 12.540 4.724 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.269 11.475 4.777 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.493 12.017 6.291 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.304 16.828 5.751 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.311 16.233 5.296 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.071 15.981 4.203 1.00 0.00 H new ATOM 1719 N GLN B 64 2.767 10.923 6.354 1.00 0.00 N ATOM 1720 CA GLN B 64 3.464 9.712 5.909 1.00 0.00 C ATOM 1721 C GLN B 64 2.732 8.428 6.278 1.00 0.00 C ATOM 1722 O GLN B 64 1.756 8.447 7.016 1.00 0.00 O ATOM 1723 CB GLN B 64 4.868 9.673 6.520 1.00 0.00 C ATOM 1724 CG GLN B 64 5.570 11.020 6.557 1.00 0.00 C ATOM 1725 CD GLN B 64 6.683 11.061 7.580 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.850 10.845 7.259 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.326 11.336 8.822 1.00 0.00 N ATOM 0 H GLN B 64 2.418 10.898 7.312 1.00 0.00 H new ATOM 0 HA GLN B 64 3.509 9.761 4.821 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.799 9.284 7.536 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.480 8.973 5.951 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.978 11.241 5.571 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.843 11.800 6.783 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.346 11.509 9.044 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.031 11.375 9.558 1.00 0.00 H new ATOM 1736 N LEU B 65 3.204 7.317 5.719 1.00 0.00 N ATOM 1737 CA LEU B 65 2.647 6.001 6.002 1.00 0.00 C ATOM 1738 C LEU B 65 3.734 5.101 6.584 1.00 0.00 C ATOM 1739 O LEU B 65 4.897 5.193 6.196 1.00 0.00 O ATOM 1740 CB LEU B 65 2.090 5.347 4.736 1.00 0.00 C ATOM 1741 CG LEU B 65 1.252 4.086 4.984 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.213 4.429 5.154 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.430 3.080 3.868 1.00 0.00 C ATOM 0 H LEU B 65 3.982 7.305 5.059 1.00 0.00 H new ATOM 0 HA LEU B 65 1.833 6.128 6.716 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.477 6.076 4.206 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.921 5.091 4.079 1.00 0.00 H new ATOM 0 HG LEU B 65 1.609 3.635 5.910 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.783 3.516 5.328 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.333 5.100 6.005 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.579 4.918 4.251 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.823 2.198 4.073 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.116 3.525 2.924 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.479 2.792 3.802 1.00 0.00 H new ATOM 1755 N GLN B 66 3.353 4.251 7.517 1.00 0.00 N ATOM 1756 CA GLN B 66 4.275 3.326 8.147 1.00 0.00 C ATOM 1757 C GLN B 66 3.767 1.900 8.003 1.00 0.00 C ATOM 1758 O GLN B 66 2.654 1.588 8.423 1.00 0.00 O ATOM 1759 CB GLN B 66 4.429 3.674 9.623 1.00 0.00 C ATOM 1760 CG GLN B 66 5.475 2.845 10.347 1.00 0.00 C ATOM 1761 CD GLN B 66 5.758 3.361 11.742 1.00 0.00 C ATOM 1762 OE1 GLN B 66 6.765 4.212 11.859 1.00 0.00 O flip ATOM 1763 NE2 GLN B 66 5.080 2.996 12.702 1.00 0.00 N flip ATOM 0 H GLN B 66 2.395 4.182 7.860 1.00 0.00 H new ATOM 0 HA GLN B 66 5.245 3.406 7.657 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.691 4.728 9.712 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.468 3.541 10.119 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.137 1.811 10.407 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.399 2.845 9.768 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.313 2.338 12.564 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.285 3.352 13.636 1.00 0.00 H new ATOM 1772 N LEU B 67 4.574 1.044 7.410 1.00 0.00 N ATOM 1773 CA LEU B 67 4.196 -0.347 7.227 1.00 0.00 C ATOM 1774 C LEU B 67 4.747 -1.205 8.347 1.00 0.00 C ATOM 1775 O LEU B 67 5.950 -1.435 8.415 1.00 0.00 O ATOM 1776 CB LEU B 67 4.725 -0.882 5.899 1.00 0.00 C ATOM 1777 CG LEU B 67 3.988 -0.407 4.655 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.505 -1.154 3.441 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.488 -0.608 4.808 1.00 0.00 C ATOM 0 H LEU B 67 5.496 1.285 7.046 1.00 0.00 H new ATOM 0 HA LEU B 67 3.107 -0.392 7.232 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.774 -0.600 5.807 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.689 -1.971 5.927 1.00 0.00 H new ATOM 0 HG LEU B 67 4.171 0.659 4.522 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.976 -0.813 2.551 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.572 -0.964 3.324 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.339 -2.223 3.574 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.981 -0.262 3.907 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.276 -1.666 4.959 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.131 -0.040 5.667 1.00 0.00 H new ATOM 1791 N VAL B 68 3.875 -1.664 9.226 1.00 0.00 N ATOM 1792 CA VAL B 68 4.294 -2.519 10.318 1.00 0.00 C ATOM 1793 C VAL B 68 4.155 -3.965 9.885 1.00 0.00 C ATOM 1794 O VAL B 68 3.046 -4.472 9.719 1.00 0.00 O ATOM 1795 CB VAL B 68 3.491 -2.256 11.610 1.00 0.00 C ATOM 1796 CG1 VAL B 68 3.598 -3.424 12.580 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.988 -0.987 12.272 1.00 0.00 C ATOM 0 H VAL B 68 2.876 -1.459 9.204 1.00 0.00 H new ATOM 0 HA VAL B 68 5.335 -2.296 10.552 1.00 0.00 H new ATOM 0 HB VAL B 68 2.441 -2.142 11.339 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.021 -3.205 13.478 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.207 -4.326 12.108 1.00 0.00 H new ATOM 0 HG13 VAL B 68 4.643 -3.579 12.849 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.419 -0.805 13.183 1.00 0.00 H new ATOM 0 HG22 VAL B 68 5.044 -1.095 12.519 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.859 -0.146 11.590 1.00 0.00 H new ATOM 1807 N LEU B 69 5.285 -4.610 9.678 1.00 0.00 N ATOM 1808 CA LEU B 69 5.304 -5.984 9.232 1.00 0.00 C ATOM 1809 C LEU B 69 4.942 -6.933 10.375 1.00 0.00 C ATOM 1810 O LEU B 69 4.837 -6.516 11.530 1.00 0.00 O ATOM 1811 CB LEU B 69 6.660 -6.338 8.626 1.00 0.00 C ATOM 1812 CG LEU B 69 7.102 -5.479 7.432 1.00 0.00 C ATOM 1813 CD1 LEU B 69 7.969 -6.299 6.500 1.00 0.00 C ATOM 1814 CD2 LEU B 69 5.921 -4.885 6.681 1.00 0.00 C ATOM 0 H LEU B 69 6.208 -4.198 9.814 1.00 0.00 H new ATOM 0 HA LEU B 69 4.550 -6.100 8.453 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.417 -6.260 9.406 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.635 -7.381 8.310 1.00 0.00 H new ATOM 0 HG LEU B 69 7.681 -4.643 7.823 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.279 -5.683 5.655 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.851 -6.649 7.037 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.402 -7.156 6.136 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.285 -4.286 5.846 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.289 -5.688 6.303 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.342 -4.254 7.355 1.00 0.00 H new ATOM 1826 N HIS B 70 4.758 -8.207 10.049 1.00 0.00 N ATOM 1827 CA HIS B 70 4.359 -9.216 11.037 1.00 0.00 C ATOM 1828 C HIS B 70 5.377 -9.400 12.165 1.00 0.00 C ATOM 1829 O HIS B 70 5.006 -9.830 13.257 1.00 0.00 O ATOM 1830 CB HIS B 70 4.116 -10.569 10.364 1.00 0.00 C ATOM 1831 CG HIS B 70 2.963 -10.588 9.405 1.00 0.00 C ATOM 1832 ND1 HIS B 70 1.698 -10.126 9.692 1.00 0.00 N ATOM 1833 CD2 HIS B 70 2.911 -11.036 8.129 1.00 0.00 C ATOM 1834 CE1 HIS B 70 0.940 -10.302 8.603 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.628 -10.852 7.629 1.00 0.00 N ATOM 0 H HIS B 70 4.878 -8.572 9.104 1.00 0.00 H new ATOM 0 HA HIS B 70 3.437 -8.841 11.482 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.020 -10.863 9.831 1.00 0.00 H new ATOM 0 HB3 HIS B 70 3.943 -11.319 11.136 1.00 0.00 H new ATOM 0 HD2 HIS B 70 3.737 -11.469 7.585 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -0.102 -10.027 8.534 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.290 -11.094 6.698 1.00 0.00 H new ATOM 1843 N ALA B 71 6.643 -9.086 11.920 1.00 0.00 N ATOM 1844 CA ALA B 71 7.668 -9.265 12.946 1.00 0.00 C ATOM 1845 C ALA B 71 7.955 -7.967 13.694 1.00 0.00 C ATOM 1846 O ALA B 71 8.863 -7.907 14.522 1.00 0.00 O ATOM 1847 CB ALA B 71 8.944 -9.821 12.331 1.00 0.00 C ATOM 0 H ALA B 71 6.983 -8.712 11.034 1.00 0.00 H new ATOM 0 HA ALA B 71 7.285 -9.982 13.672 1.00 0.00 H new ATOM 0 HB1 ALA B 71 9.697 -9.948 13.109 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.734 -10.785 11.867 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.316 -9.128 11.576 1.00 0.00 H new ATOM 1853 N GLY B 72 7.167 -6.937 13.417 1.00 0.00 N ATOM 1854 CA GLY B 72 7.368 -5.661 14.074 1.00 0.00 C ATOM 1855 C GLY B 72 8.226 -4.733 13.244 1.00 0.00 C ATOM 1856 O GLY B 72 8.662 -3.682 13.714 1.00 0.00 O ATOM 0 H GLY B 72 6.395 -6.962 12.751 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.402 -5.192 14.262 1.00 0.00 H new ATOM 0 HA3 GLY B 72 7.839 -5.821 15.044 1.00 0.00 H new ATOM 1860 N ASP B 73 8.459 -5.134 12.005 1.00 0.00 N ATOM 1861 CA ASP B 73 9.259 -4.361 11.068 1.00 0.00 C ATOM 1862 C ASP B 73 8.462 -3.146 10.640 1.00 0.00 C ATOM 1863 O ASP B 73 7.237 -3.186 10.650 1.00 0.00 O ATOM 1864 CB ASP B 73 9.606 -5.201 9.834 1.00 0.00 C ATOM 1865 CG ASP B 73 9.824 -6.668 10.151 1.00 0.00 C ATOM 1866 OD1 ASP B 73 8.820 -7.373 10.420 1.00 0.00 O ATOM 1867 OD2 ASP B 73 10.985 -7.118 10.119 1.00 0.00 O ATOM 0 H ASP B 73 8.098 -6.007 11.619 1.00 0.00 H new ATOM 0 HA ASP B 73 10.187 -4.058 11.552 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.803 -5.110 9.103 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.507 -4.799 9.370 1.00 0.00 H new ATOM 1872 N THR B 74 9.125 -2.068 10.268 1.00 0.00 N ATOM 1873 CA THR B 74 8.398 -0.877 9.862 1.00 0.00 C ATOM 1874 C THR B 74 9.074 -0.158 8.704 1.00 0.00 C ATOM 1875 O THR B 74 10.279 0.095 8.732 1.00 0.00 O ATOM 1876 CB THR B 74 8.245 0.124 11.030 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.538 0.522 11.505 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.450 -0.469 12.181 1.00 0.00 C ATOM 0 H THR B 74 10.142 -1.990 10.238 1.00 0.00 H new ATOM 0 HA THR B 74 7.416 -1.226 9.544 1.00 0.00 H new ATOM 0 HB THR B 74 7.701 0.989 10.651 1.00 0.00 H new ATOM 0 HG1 THR B 74 10.167 0.553 10.754 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.365 0.266 12.981 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.454 -0.743 11.832 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.960 -1.357 12.556 1.00 0.00 H new ATOM 1886 N THR B 75 8.288 0.163 7.692 1.00 0.00 N ATOM 1887 CA THR B 75 8.777 0.887 6.535 1.00 0.00 C ATOM 1888 C THR B 75 8.092 2.251 6.473 1.00 0.00 C ATOM 1889 O THR B 75 6.862 2.327 6.410 1.00 0.00 O ATOM 1890 CB THR B 75 8.503 0.107 5.236 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.505 -1.302 5.511 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.556 0.424 4.185 1.00 0.00 C ATOM 0 H THR B 75 7.296 -0.070 7.650 1.00 0.00 H new ATOM 0 HA THR B 75 9.855 1.013 6.631 1.00 0.00 H new ATOM 0 HB THR B 75 7.528 0.405 4.851 1.00 0.00 H new ATOM 0 HG1 THR B 75 9.013 -1.770 4.816 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.343 -0.138 3.276 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.540 1.491 3.964 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.541 0.146 4.561 1.00 0.00 H new ATOM 1900 N ASN B 76 8.876 3.319 6.509 1.00 0.00 N ATOM 1901 CA ASN B 76 8.326 4.672 6.487 1.00 0.00 C ATOM 1902 C ASN B 76 8.285 5.256 5.084 1.00 0.00 C ATOM 1903 O ASN B 76 9.307 5.357 4.409 1.00 0.00 O ATOM 1904 CB ASN B 76 9.131 5.597 7.402 1.00 0.00 C ATOM 1905 CG ASN B 76 8.589 5.645 8.817 1.00 0.00 C ATOM 1906 OD1 ASN B 76 8.904 6.712 9.527 1.00 0.00 O flip ATOM 1907 ND2 ASN B 76 7.904 4.727 9.270 1.00 0.00 N flip ATOM 0 H ASN B 76 9.894 3.278 6.554 1.00 0.00 H new ATOM 0 HA ASN B 76 7.301 4.599 6.850 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.168 5.263 7.427 1.00 0.00 H new ATOM 0 HB3 ASN B 76 9.131 6.604 6.984 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.683 3.920 8.687 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.557 4.774 10.228 1.00 0.00 H new ATOM 1914 N PHE B 77 7.092 5.644 4.659 1.00 0.00 N ATOM 1915 CA PHE B 77 6.894 6.244 3.350 1.00 0.00 C ATOM 1916 C PHE B 77 6.319 7.643 3.515 1.00 0.00 C ATOM 1917 O PHE B 77 5.140 7.807 3.830 1.00 0.00 O ATOM 1918 CB PHE B 77 5.955 5.387 2.499 1.00 0.00 C ATOM 1919 CG PHE B 77 6.532 4.053 2.132 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.713 3.972 1.414 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.895 2.881 2.503 1.00 0.00 C ATOM 1922 CE1 PHE B 77 8.249 2.747 1.073 1.00 0.00 C ATOM 1923 CE2 PHE B 77 6.425 1.653 2.165 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.605 1.586 1.449 1.00 0.00 C ATOM 0 H PHE B 77 6.238 5.552 5.209 1.00 0.00 H new ATOM 0 HA PHE B 77 7.856 6.304 2.841 1.00 0.00 H new ATOM 0 HB2 PHE B 77 5.023 5.234 3.043 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.707 5.930 1.587 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.221 4.878 1.117 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.973 2.929 3.063 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.171 2.697 0.513 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.919 0.746 2.459 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.023 0.626 1.184 1.00 0.00 H new ATOM 1934 N HIS B 78 7.156 8.644 3.312 1.00 0.00 N ATOM 1935 CA HIS B 78 6.745 10.032 3.448 1.00 0.00 C ATOM 1936 C HIS B 78 6.175 10.555 2.139 1.00 0.00 C ATOM 1937 O HIS B 78 6.853 10.562 1.119 1.00 0.00 O ATOM 1938 CB HIS B 78 7.949 10.876 3.905 1.00 0.00 C ATOM 1939 CG HIS B 78 7.793 12.368 3.771 1.00 0.00 C ATOM 1940 ND1 HIS B 78 8.859 13.232 3.678 1.00 0.00 N ATOM 1941 CD2 HIS B 78 6.681 13.146 3.703 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.380 14.473 3.552 1.00 0.00 C ATOM 1943 NE2 HIS B 78 7.064 14.476 3.561 1.00 0.00 N ATOM 0 H HIS B 78 8.134 8.521 3.050 1.00 0.00 H new ATOM 0 HA HIS B 78 5.958 10.103 4.199 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.156 10.644 4.950 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.823 10.568 3.331 1.00 0.00 H new ATOM 0 HD1 HIS B 78 9.845 12.971 3.701 1.00 0.00 H new ATOM 0 HD2 HIS B 78 5.663 12.789 3.751 1.00 0.00 H new ATOM 0 HE1 HIS B 78 8.992 15.357 3.455 1.00 0.00 H new ATOM 1951 N PHE B 79 4.925 10.985 2.171 1.00 0.00 N ATOM 1952 CA PHE B 79 4.288 11.536 0.990 1.00 0.00 C ATOM 1953 C PHE B 79 4.746 12.977 0.819 1.00 0.00 C ATOM 1954 O PHE B 79 4.101 13.911 1.293 1.00 0.00 O ATOM 1955 CB PHE B 79 2.764 11.457 1.109 1.00 0.00 C ATOM 1956 CG PHE B 79 2.243 10.051 1.214 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.780 9.387 0.092 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.218 9.392 2.433 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.301 8.094 0.182 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.741 8.100 2.530 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.282 7.449 1.403 1.00 0.00 C ATOM 0 H PHE B 79 4.333 10.963 3.001 1.00 0.00 H new ATOM 0 HA PHE B 79 4.575 10.956 0.113 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.446 12.020 1.986 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.314 11.939 0.241 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.793 9.885 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.576 9.896 3.319 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.942 7.588 -0.702 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.727 7.599 3.487 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.909 6.438 1.476 1.00 0.00 H new ATOM 1971 N SER B 80 5.883 13.141 0.161 1.00 0.00 N ATOM 1972 CA SER B 80 6.474 14.446 -0.059 1.00 0.00 C ATOM 1973 C SER B 80 5.836 15.183 -1.233 1.00 0.00 C ATOM 1974 O SER B 80 6.384 16.172 -1.713 1.00 0.00 O ATOM 1975 CB SER B 80 7.979 14.291 -0.286 1.00 0.00 C ATOM 1976 OG SER B 80 8.277 13.038 -0.882 1.00 0.00 O ATOM 0 H SER B 80 6.421 12.370 -0.235 1.00 0.00 H new ATOM 0 HA SER B 80 6.291 15.048 0.831 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.339 15.097 -0.926 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.505 14.380 0.665 1.00 0.00 H new ATOM 0 HG SER B 80 8.688 13.183 -1.760 1.00 0.00 H new ATOM 1982 N ASN B 81 4.697 14.702 -1.710 1.00 0.00 N ATOM 1983 CA ASN B 81 4.014 15.368 -2.810 1.00 0.00 C ATOM 1984 C ASN B 81 3.210 16.535 -2.271 1.00 0.00 C ATOM 1985 O ASN B 81 2.126 16.357 -1.722 1.00 0.00 O ATOM 1986 CB ASN B 81 3.104 14.413 -3.581 1.00 0.00 C ATOM 1987 CG ASN B 81 2.653 15.016 -4.900 1.00 0.00 C ATOM 1988 OD1 ASN B 81 3.312 15.901 -5.447 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.531 14.554 -5.418 1.00 0.00 N ATOM 0 H ASN B 81 4.231 13.865 -1.359 1.00 0.00 H new ATOM 0 HA ASN B 81 4.770 15.728 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.632 13.478 -3.769 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.232 14.170 -2.974 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.183 14.931 -6.300 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.011 13.820 -4.937 1.00 0.00 H new ATOM 1996 N GLU B 82 3.737 17.731 -2.454 1.00 0.00 N ATOM 1997 CA GLU B 82 3.111 18.950 -1.961 1.00 0.00 C ATOM 1998 C GLU B 82 1.763 19.225 -2.633 1.00 0.00 C ATOM 1999 O GLU B 82 1.076 20.182 -2.284 1.00 0.00 O ATOM 2000 CB GLU B 82 4.053 20.144 -2.173 1.00 0.00 C ATOM 2001 CG GLU B 82 5.462 19.937 -1.619 1.00 0.00 C ATOM 2002 CD GLU B 82 6.392 19.216 -2.586 1.00 0.00 C ATOM 2003 OE1 GLU B 82 7.608 19.132 -2.307 1.00 0.00 O ATOM 2004 OE2 GLU B 82 5.909 18.712 -3.622 1.00 0.00 O ATOM 0 H GLU B 82 4.614 17.888 -2.950 1.00 0.00 H new ATOM 0 HA GLU B 82 2.922 18.810 -0.897 1.00 0.00 H new ATOM 0 HB2 GLU B 82 4.122 20.353 -3.241 1.00 0.00 H new ATOM 0 HB3 GLU B 82 3.616 21.025 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.892 20.907 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU B 82 5.400 19.366 -0.692 1.00 0.00 H new ATOM 2011 N SER B 83 1.384 18.389 -3.590 1.00 0.00 N ATOM 2012 CA SER B 83 0.123 18.568 -4.285 1.00 0.00 C ATOM 2013 C SER B 83 -1.030 17.864 -3.560 1.00 0.00 C ATOM 2014 O SER B 83 -1.983 18.511 -3.129 1.00 0.00 O ATOM 2015 CB SER B 83 0.245 18.050 -5.718 1.00 0.00 C ATOM 2016 OG SER B 83 1.400 18.578 -6.348 1.00 0.00 O ATOM 0 H SER B 83 1.930 17.585 -3.899 1.00 0.00 H new ATOM 0 HA SER B 83 -0.105 19.634 -4.302 1.00 0.00 H new ATOM 0 HB2 SER B 83 0.294 16.961 -5.713 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.643 18.327 -6.286 1.00 0.00 H new ATOM 0 HG SER B 83 1.460 18.233 -7.263 1.00 0.00 H new ATOM 2022 N THR B 84 -0.945 16.544 -3.410 1.00 0.00 N ATOM 2023 CA THR B 84 -2.012 15.793 -2.756 1.00 0.00 C ATOM 2024 C THR B 84 -1.493 14.810 -1.705 1.00 0.00 C ATOM 2025 O THR B 84 -2.102 13.765 -1.492 1.00 0.00 O ATOM 2026 CB THR B 84 -2.841 15.024 -3.803 1.00 0.00 C ATOM 2027 OG1 THR B 84 -2.012 14.686 -4.921 1.00 0.00 O ATOM 2028 CG2 THR B 84 -4.028 15.850 -4.274 1.00 0.00 C ATOM 0 H THR B 84 -0.158 15.979 -3.728 1.00 0.00 H new ATOM 0 HA THR B 84 -2.634 16.525 -2.241 1.00 0.00 H new ATOM 0 HB THR B 84 -3.221 14.114 -3.339 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.149 14.352 -4.599 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.596 15.283 -5.012 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.669 16.083 -3.424 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.671 16.776 -4.724 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.402 15.171 -1.028 1.00 0.00 N ATOM 2037 CA ALA B 85 0.219 14.321 0.000 1.00 0.00 C ATOM 2038 C ALA B 85 -0.805 13.681 0.936 1.00 0.00 C ATOM 2039 O ALA B 85 -0.834 12.461 1.107 1.00 0.00 O ATOM 2040 CB ALA B 85 1.209 15.137 0.820 1.00 0.00 C ATOM 0 H ALA B 85 0.079 16.059 -1.173 1.00 0.00 H new ATOM 0 HA ALA B 85 0.732 13.515 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.664 14.501 1.579 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.985 15.533 0.165 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.687 15.962 1.304 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.639 14.517 1.536 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.664 14.058 2.467 1.00 0.00 C ATOM 2048 C VAL B 86 -3.621 13.048 1.821 1.00 0.00 C ATOM 2049 O VAL B 86 -3.869 11.974 2.368 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.486 15.251 3.006 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.767 14.780 3.680 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.675 16.086 3.972 1.00 0.00 C ATOM 0 H VAL B 86 -1.627 15.527 1.394 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.142 13.564 3.286 1.00 0.00 H new ATOM 0 HB VAL B 86 -3.751 15.870 2.149 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.323 15.642 4.048 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.378 14.235 2.960 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.519 14.125 4.515 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.281 16.917 4.333 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.366 15.469 4.816 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.792 16.475 3.464 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.128 13.385 0.641 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.094 12.531 -0.044 1.00 0.00 C ATOM 2064 C LYS B 87 -4.458 11.273 -0.630 1.00 0.00 C ATOM 2065 O LYS B 87 -5.070 10.207 -0.595 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.839 13.324 -1.118 1.00 0.00 C ATOM 2067 CG LYS B 87 -7.246 13.731 -0.691 1.00 0.00 C ATOM 2068 CD LYS B 87 -7.279 14.199 0.760 1.00 0.00 C ATOM 2069 CE LYS B 87 -8.343 13.466 1.567 1.00 0.00 C ATOM 2070 NZ LYS B 87 -8.003 13.405 3.018 1.00 0.00 N ATOM 0 H LYS B 87 -3.888 14.240 0.139 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.810 12.192 0.704 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.267 14.219 -1.363 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -5.900 12.725 -2.027 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -7.607 14.529 -1.340 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.924 12.887 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.302 14.038 1.216 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.473 15.271 0.792 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.303 13.967 1.441 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -8.458 12.454 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.838 13.101 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -7.230 12.725 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.704 14.346 3.344 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.247 11.381 -1.163 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.572 10.213 -1.716 1.00 0.00 C ATOM 2086 C GLU B 88 -2.296 9.223 -0.598 1.00 0.00 C ATOM 2087 O GLU B 88 -2.344 8.008 -0.802 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.277 10.598 -2.438 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.510 11.204 -3.811 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.292 11.927 -4.346 1.00 0.00 C ATOM 2091 OE1 GLU B 88 -0.120 13.117 -4.007 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.486 11.319 -5.112 1.00 0.00 O ATOM 0 H GLU B 88 -2.719 12.251 -1.224 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.222 9.751 -2.459 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.725 11.309 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.650 9.712 -2.541 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.794 10.416 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.347 11.900 -3.759 1.00 0.00 H new ATOM 2099 N ARG B 89 -2.020 9.748 0.595 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.797 8.897 1.749 1.00 0.00 C ATOM 2101 C ARG B 89 -3.065 8.121 2.035 1.00 0.00 C ATOM 2102 O ARG B 89 -3.032 6.917 2.251 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.428 9.700 2.995 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.391 8.833 4.247 1.00 0.00 C ATOM 2105 CD ARG B 89 -1.979 9.532 5.464 1.00 0.00 C ATOM 2106 NE ARG B 89 -3.232 10.234 5.180 1.00 0.00 N ATOM 2107 CZ ARG B 89 -3.752 11.168 5.984 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -3.127 11.499 7.108 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -4.893 11.767 5.674 1.00 0.00 N ATOM 0 H ARG B 89 -1.947 10.748 0.781 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.965 8.232 1.517 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.454 10.167 2.849 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.150 10.505 3.134 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.942 7.911 4.062 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.359 8.551 4.458 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.153 8.795 6.248 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -1.251 10.245 5.852 1.00 0.00 H new ATOM 0 HE ARG B 89 -3.735 9.999 4.324 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.251 11.041 7.358 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.523 12.211 7.721 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.383 11.517 4.815 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.281 12.478 6.294 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.181 8.838 2.017 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.494 8.253 2.271 1.00 0.00 C ATOM 2125 C ASP B 90 -5.794 7.159 1.258 1.00 0.00 C ATOM 2126 O ASP B 90 -6.367 6.130 1.602 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.576 9.333 2.210 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.705 10.089 3.513 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -6.537 11.326 3.506 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -6.968 9.449 4.548 1.00 0.00 O ATOM 0 H ASP B 90 -4.203 9.840 1.826 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.488 7.814 3.269 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.343 10.033 1.408 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.533 8.872 1.963 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.384 7.382 0.011 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.601 6.409 -1.047 1.00 0.00 C ATOM 2137 C ALA B 91 -4.856 5.114 -0.746 1.00 0.00 C ATOM 2138 O ALA B 91 -5.395 4.024 -0.919 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.164 6.976 -2.390 1.00 0.00 C ATOM 0 H ALA B 91 -4.900 8.229 -0.287 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.667 6.188 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.333 6.234 -3.171 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.741 7.874 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.104 7.227 -2.352 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.619 5.244 -0.280 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.803 4.084 0.058 1.00 0.00 C ATOM 2147 C VAL B 92 -3.306 3.468 1.349 1.00 0.00 C ATOM 2148 O VAL B 92 -3.416 2.255 1.481 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.317 4.466 0.241 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.486 3.249 0.620 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.766 5.113 -1.015 1.00 0.00 C ATOM 0 H VAL B 92 -3.159 6.142 -0.128 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.881 3.374 -0.765 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.256 5.189 1.054 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.556 3.544 0.743 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.858 2.832 1.556 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.560 2.498 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.281 5.373 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.848 4.416 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.335 6.016 -1.239 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.648 4.342 2.275 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.126 3.966 3.585 1.00 0.00 C ATOM 2163 C LYS B 93 -5.400 3.137 3.490 1.00 0.00 C ATOM 2164 O LYS B 93 -5.452 2.014 3.991 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.339 5.250 4.386 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.434 5.196 5.428 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.566 6.535 6.120 1.00 0.00 C ATOM 2168 CE LYS B 93 -6.976 6.764 6.619 1.00 0.00 C ATOM 2169 NZ LYS B 93 -7.889 7.217 5.531 1.00 0.00 N ATOM 0 H LYS B 93 -3.600 5.351 2.133 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.394 3.335 4.090 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.403 5.507 4.882 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.564 6.058 3.690 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.380 4.927 4.958 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.210 4.421 6.161 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.870 6.583 6.958 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.289 7.332 5.429 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.361 5.841 7.054 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.962 7.510 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.754 7.618 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.413 7.942 4.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.138 6.408 4.928 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.406 3.679 2.820 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.683 2.996 2.662 1.00 0.00 C ATOM 2185 C ASP B 94 -7.561 1.734 1.823 1.00 0.00 C ATOM 2186 O ASP B 94 -8.220 0.730 2.101 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.728 3.935 2.070 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.522 4.653 3.145 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -8.946 5.507 3.855 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -10.723 4.332 3.310 1.00 0.00 O ATOM 0 H ASP B 94 -6.363 4.595 2.374 1.00 0.00 H new ATOM 0 HA ASP B 94 -8.008 2.691 3.657 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.236 4.669 1.432 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.408 3.367 1.436 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.706 1.767 0.822 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.511 0.607 -0.039 1.00 0.00 C ATOM 2197 C LEU B 95 -5.760 -0.468 0.721 1.00 0.00 C ATOM 2198 O LEU B 95 -5.992 -1.655 0.521 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.756 0.985 -1.314 1.00 0.00 C ATOM 2200 CG LEU B 95 -6.471 0.628 -2.619 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.708 1.494 -2.802 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.527 0.785 -3.802 1.00 0.00 C ATOM 0 H LEU B 95 -6.135 2.577 0.581 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.489 0.226 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.568 2.059 -1.302 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.784 0.491 -1.303 1.00 0.00 H new ATOM 0 HG LEU B 95 -6.787 -0.414 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.204 1.227 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.391 1.333 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.416 2.544 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.051 0.527 -4.722 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.182 1.818 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.671 0.123 -3.674 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.866 -0.047 1.606 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.110 -0.989 2.405 1.00 0.00 C ATOM 2216 C LEU B 96 -5.044 -1.730 3.348 1.00 0.00 C ATOM 2217 O LEU B 96 -5.090 -2.946 3.310 1.00 0.00 O ATOM 2218 CB LEU B 96 -2.988 -0.302 3.167 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.661 -0.240 2.415 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.617 0.487 3.238 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.177 -1.636 2.060 1.00 0.00 C ATOM 0 H LEU B 96 -4.651 0.934 1.785 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.642 -1.711 1.736 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.300 0.713 3.413 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.833 -0.825 4.111 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.820 0.313 1.489 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.322 0.521 2.686 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.956 1.503 3.441 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.465 -0.040 4.180 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.230 -1.568 1.525 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.037 -2.216 2.972 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.916 -2.128 1.428 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.796 -1.011 4.195 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.758 -1.668 5.081 1.00 0.00 C ATOM 2235 C GLN B 97 -7.684 -2.589 4.291 1.00 0.00 C ATOM 2236 O GLN B 97 -8.218 -3.551 4.830 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.582 -0.638 5.853 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.767 0.670 5.126 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.920 1.846 6.065 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.492 2.872 5.712 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.449 1.691 7.279 1.00 0.00 N ATOM 0 H GLN B 97 -5.756 0.004 4.282 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.194 -2.268 5.795 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.562 -1.062 6.071 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.098 -0.444 6.810 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.911 0.841 4.473 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.648 0.604 4.487 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -6.979 0.823 7.537 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.553 2.438 7.966 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.876 -2.267 3.020 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.710 -3.064 2.129 1.00 0.00 C ATOM 2252 C GLN B 98 -8.002 -4.331 1.638 1.00 0.00 C ATOM 2253 O GLN B 98 -8.549 -5.423 1.721 1.00 0.00 O ATOM 2254 CB GLN B 98 -9.127 -2.213 0.927 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.445 -1.484 1.114 1.00 0.00 C ATOM 2256 CD GLN B 98 -10.880 -1.412 2.560 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.671 -2.229 3.029 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -10.368 -0.432 3.280 1.00 0.00 N ATOM 0 H GLN B 98 -7.460 -1.448 2.577 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.585 -3.381 2.697 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.345 -1.482 0.724 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.200 -2.854 0.049 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.354 -0.473 0.717 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.218 -1.987 0.532 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -9.715 0.226 2.855 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.625 -0.332 4.262 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.781 -4.184 1.144 1.00 0.00 N ATOM 2268 CA LEU B 99 -6.035 -5.313 0.584 1.00 0.00 C ATOM 2269 C LEU B 99 -5.214 -6.096 1.614 1.00 0.00 C ATOM 2270 O LEU B 99 -5.091 -7.314 1.505 1.00 0.00 O ATOM 2271 CB LEU B 99 -5.110 -4.808 -0.518 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.823 -4.132 -1.685 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.890 -3.170 -2.402 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -6.362 -5.170 -2.652 1.00 0.00 C ATOM 0 H LEU B 99 -6.281 -3.295 1.117 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.779 -6.008 0.194 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.401 -4.102 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.530 -5.648 -0.901 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.662 -3.561 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.419 -2.699 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.552 -2.403 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.028 -3.717 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.867 -4.670 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.538 -5.769 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -7.068 -5.818 -2.133 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.666 -5.399 2.602 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.809 -6.010 3.624 1.00 0.00 C ATOM 2288 C LEU B 100 -4.358 -7.327 4.213 1.00 0.00 C ATOM 2289 O LEU B 100 -3.711 -8.358 4.072 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.494 -5.007 4.753 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.352 -4.026 4.443 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.195 -2.959 5.534 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.051 -4.788 4.256 1.00 0.00 C ATOM 0 H LEU B 100 -4.800 -4.395 2.722 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.889 -6.277 3.103 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.395 -4.435 4.974 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.241 -5.564 5.655 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.604 -3.506 3.519 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.376 -2.289 5.272 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.119 -2.387 5.620 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.978 -3.442 6.487 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.246 -4.086 4.037 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.816 -5.336 5.169 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.156 -5.490 3.428 1.00 0.00 H new