USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 706 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 367 THR OG1 : rot 180:sc= 0.0108 USER MOD Set 1.2: B 379 SER OG : rot 100:sc= 0.883 USER MOD Set 2.1: B 362 SER OG : rot -170:sc= 0.957 USER MOD Set 2.2: B 365 SER OG : rot 180:sc= 0.0113 USER MOD Set 3.1: B 357 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 373 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: B 352 SER OG : rot -128:sc= -4.06! USER MOD Set 4.2: B 355 ASN : amide:sc= -5.14! C(o=-9.2!,f=-11!) USER MOD Set 5.1: B 333 THR OG1 : rot -148:sc= -2.85! USER MOD Set 5.2: B 336 CYS SG : rot 180:sc= -0.516! USER MOD Set 6.1: B 311 SER OG : rot -120:sc= -0.455 USER MOD Set 6.2: B 395 TYR OH : rot 180:sc= 0 USER MOD Single : B 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 338 MET CE :methyl -141:sc= -0.383 (180deg=-4.98!) USER MOD Single : B 343 LYS NZ :NH3+ 152:sc= -0.0958 (180deg=-1.09) USER MOD Single : B 344 THR OG1 : rot -141:sc= -0.546 USER MOD Single : B 345 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 349 GLN :FLIP amide:sc= -0.0406 F(o=-1.3,f=-0.041) USER MOD Single : B 354 THR OG1 : rot -48:sc= -0.202 USER MOD Single : B 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 374 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.054) USER MOD Single : B 377 TYR OH : rot 180:sc= -3.22! USER MOD Single : B 378 TYR OH : rot 180:sc= 0 USER MOD Single : B 381 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : B 382 THR OG1 : rot 180:sc= 0.586 USER MOD Single : B 383 THR OG1 : rot 180:sc= 0.0632 USER MOD Single : B 387 GLN : amide:sc= -0.0721 X(o=-0.072,f=-0.3) USER MOD Single : B 390 GLN :FLIP amide:sc= -2.26 F(o=-3!,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 15 1.179 11.827 1.837 1.00 0.00 N ATOM 126 CA LEU A 15 0.487 10.566 1.587 1.00 0.00 C ATOM 127 C LEU A 15 -0.713 10.453 2.513 1.00 0.00 C ATOM 128 O LEU A 15 -1.800 10.055 2.096 1.00 0.00 O ATOM 129 CB LEU A 15 1.438 9.380 1.831 1.00 0.00 C ATOM 130 CG LEU A 15 2.395 9.148 0.640 1.00 0.00 C ATOM 131 CD1 LEU A 15 1.623 8.841 -0.642 1.00 0.00 C ATOM 132 CD2 LEU A 15 3.256 10.382 0.405 1.00 0.00 C ATOM 0 HA LEU A 15 0.153 10.545 0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.021 9.563 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.853 8.477 2.007 1.00 0.00 H new ATOM 0 HG LEU A 15 3.024 8.294 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.325 8.683 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.024 7.942 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.969 9.679 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.925 10.204 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.615 11.236 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.845 10.590 1.298 1.00 0.00 H new ATOM 144 N LEU A 16 -0.516 10.824 3.765 1.00 0.00 N ATOM 145 CA LEU A 16 -1.595 10.781 4.735 1.00 0.00 C ATOM 146 C LEU A 16 -2.752 11.666 4.258 1.00 0.00 C ATOM 147 O LEU A 16 -3.919 11.301 4.381 1.00 0.00 O ATOM 148 CB LEU A 16 -1.076 11.249 6.096 1.00 0.00 C ATOM 149 CG LEU A 16 -1.565 10.313 7.213 1.00 0.00 C ATOM 150 CD1 LEU A 16 -3.090 10.202 7.166 1.00 0.00 C ATOM 151 CD2 LEU A 16 -0.942 8.918 7.040 1.00 0.00 C ATOM 0 H LEU A 16 0.375 11.157 4.133 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.962 9.759 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.014 11.274 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.417 12.266 6.291 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.262 10.724 8.176 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.431 9.537 7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.531 11.189 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.396 9.800 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.294 8.261 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.234 8.506 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.144 8.996 7.088 1.00 0.00 H new ATOM 163 N GLY A 17 -2.418 12.815 3.675 1.00 0.00 N ATOM 164 CA GLY A 17 -3.443 13.710 3.145 1.00 0.00 C ATOM 165 C GLY A 17 -4.201 13.000 2.032 1.00 0.00 C ATOM 166 O GLY A 17 -5.428 13.049 1.963 1.00 0.00 O ATOM 0 H GLY A 17 -1.460 13.145 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.130 14.006 3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.984 14.623 2.764 1.00 0.00 H new ATOM 170 N GLU A 18 -3.453 12.314 1.175 1.00 0.00 N ATOM 171 CA GLU A 18 -4.048 11.560 0.084 1.00 0.00 C ATOM 172 C GLU A 18 -4.901 10.431 0.638 1.00 0.00 C ATOM 173 O GLU A 18 -5.964 10.127 0.111 1.00 0.00 O ATOM 174 CB GLU A 18 -2.940 11.001 -0.800 1.00 0.00 C ATOM 175 CG GLU A 18 -2.599 12.026 -1.879 1.00 0.00 C ATOM 176 CD GLU A 18 -3.472 11.806 -3.109 1.00 0.00 C ATOM 177 OE1 GLU A 18 -4.484 11.137 -2.981 1.00 0.00 O1- ATOM 178 OE2 GLU A 18 -3.119 12.314 -4.160 1.00 0.00 O ATOM 0 H GLU A 18 -2.435 12.266 1.217 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.686 12.215 -0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.057 10.777 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.260 10.065 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.749 13.034 -1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.547 11.942 -2.151 1.00 0.00 H new ATOM 394 N VAL B 310 9.445 -12.637 0.702 1.00 0.00 N ATOM 395 CA VAL B 310 8.161 -11.982 0.484 1.00 0.00 C ATOM 396 C VAL B 310 7.399 -11.835 1.800 1.00 0.00 C ATOM 397 O VAL B 310 7.302 -12.782 2.581 1.00 0.00 O ATOM 398 CB VAL B 310 7.327 -12.793 -0.507 1.00 0.00 C ATOM 399 CG1 VAL B 310 5.926 -12.194 -0.609 1.00 0.00 C ATOM 400 CG2 VAL B 310 7.990 -12.751 -1.884 1.00 0.00 C ATOM 0 HA VAL B 310 8.345 -10.988 0.076 1.00 0.00 H new ATOM 0 HB VAL B 310 7.260 -13.824 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL B 310 5.333 -12.774 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL B 310 5.448 -12.218 0.370 1.00 0.00 H new ATOM 0 HG13 VAL B 310 5.996 -11.162 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL B 310 7.396 -13.329 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL B 310 8.056 -11.718 -2.225 1.00 0.00 H new ATOM 0 HG23 VAL B 310 8.992 -13.176 -1.819 1.00 0.00 H new ATOM 410 N SER B 311 6.860 -10.641 2.036 1.00 0.00 N ATOM 411 CA SER B 311 6.108 -10.369 3.254 1.00 0.00 C ATOM 412 C SER B 311 4.628 -10.200 2.931 1.00 0.00 C ATOM 413 O SER B 311 4.280 -9.842 1.814 1.00 0.00 O ATOM 414 CB SER B 311 6.630 -9.098 3.903 1.00 0.00 C ATOM 415 OG SER B 311 7.765 -8.640 3.182 1.00 0.00 O ATOM 0 H SER B 311 6.931 -9.848 1.399 1.00 0.00 H new ATOM 0 HA SER B 311 6.231 -11.208 3.939 1.00 0.00 H new ATOM 0 HB2 SER B 311 5.854 -8.333 3.908 1.00 0.00 H new ATOM 0 HB3 SER B 311 6.897 -9.289 4.942 1.00 0.00 H new ATOM 0 HG SER B 311 8.542 -8.612 3.778 1.00 0.00 H new ATOM 421 N PHE B 312 3.765 -10.489 3.901 1.00 0.00 N ATOM 422 CA PHE B 312 2.321 -10.398 3.693 1.00 0.00 C ATOM 423 C PHE B 312 1.643 -9.595 4.806 1.00 0.00 C ATOM 424 O PHE B 312 1.933 -9.814 5.983 1.00 0.00 O ATOM 425 CB PHE B 312 1.765 -11.819 3.694 1.00 0.00 C ATOM 426 CG PHE B 312 2.105 -12.506 2.391 1.00 0.00 C ATOM 427 CD1 PHE B 312 1.537 -12.062 1.193 1.00 0.00 C ATOM 428 CD2 PHE B 312 2.993 -13.591 2.383 1.00 0.00 C ATOM 429 CE1 PHE B 312 1.850 -12.700 -0.012 1.00 0.00 C ATOM 430 CE2 PHE B 312 3.306 -14.229 1.177 1.00 0.00 C ATOM 431 CZ PHE B 312 2.736 -13.784 -0.020 1.00 0.00 C ATOM 0 H PHE B 312 4.039 -10.788 4.837 1.00 0.00 H new ATOM 0 HA PHE B 312 2.125 -9.889 2.749 1.00 0.00 H new ATOM 0 HB2 PHE B 312 2.181 -12.381 4.531 1.00 0.00 H new ATOM 0 HB3 PHE B 312 0.684 -11.796 3.831 1.00 0.00 H new ATOM 0 HD1 PHE B 312 0.855 -11.225 1.198 1.00 0.00 H new ATOM 0 HD2 PHE B 312 3.435 -13.934 3.307 1.00 0.00 H new ATOM 0 HE1 PHE B 312 1.408 -12.356 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE B 312 3.989 -15.066 1.171 1.00 0.00 H new ATOM 0 HZ PHE B 312 2.979 -14.276 -0.950 1.00 0.00 H new ATOM 441 N PHE B 313 0.723 -8.678 4.448 1.00 0.00 N ATOM 442 CA PHE B 313 0.029 -7.902 5.465 1.00 0.00 C ATOM 443 C PHE B 313 -1.442 -7.776 5.125 1.00 0.00 C ATOM 444 O PHE B 313 -1.805 -7.385 4.019 1.00 0.00 O ATOM 445 CB PHE B 313 0.624 -6.507 5.574 1.00 0.00 C ATOM 446 CG PHE B 313 1.936 -6.571 6.311 1.00 0.00 C ATOM 447 CD1 PHE B 313 3.111 -6.904 5.627 1.00 0.00 C ATOM 448 CD2 PHE B 313 1.978 -6.289 7.681 1.00 0.00 C ATOM 449 CE1 PHE B 313 4.328 -6.955 6.314 1.00 0.00 C ATOM 450 CE2 PHE B 313 3.197 -6.339 8.367 1.00 0.00 C ATOM 451 CZ PHE B 313 4.373 -6.671 7.682 1.00 0.00 C ATOM 0 H PHE B 313 0.456 -8.468 3.486 1.00 0.00 H new ATOM 0 HA PHE B 313 0.144 -8.424 6.415 1.00 0.00 H new ATOM 0 HB2 PHE B 313 0.775 -6.087 4.580 1.00 0.00 H new ATOM 0 HB3 PHE B 313 -0.067 -5.846 6.098 1.00 0.00 H new ATOM 0 HD1 PHE B 313 3.078 -7.121 4.570 1.00 0.00 H new ATOM 0 HD2 PHE B 313 1.071 -6.033 8.208 1.00 0.00 H new ATOM 0 HE1 PHE B 313 5.234 -7.214 5.787 1.00 0.00 H new ATOM 0 HE2 PHE B 313 3.231 -6.122 9.424 1.00 0.00 H new ATOM 0 HZ PHE B 313 5.314 -6.708 8.211 1.00 0.00 H new ATOM 461 N LEU B 314 -2.279 -8.080 6.093 1.00 0.00 N ATOM 462 CA LEU B 314 -3.704 -7.967 5.903 1.00 0.00 C ATOM 463 C LEU B 314 -4.128 -6.539 6.145 1.00 0.00 C ATOM 464 O LEU B 314 -4.164 -6.017 7.247 1.00 0.00 O ATOM 465 CB LEU B 314 -4.476 -9.021 6.726 1.00 0.00 C ATOM 466 CG LEU B 314 -4.980 -8.539 8.100 1.00 0.00 C ATOM 467 CD1 LEU B 314 -3.855 -7.894 8.913 1.00 0.00 C ATOM 468 CD2 LEU B 314 -6.170 -7.576 7.947 1.00 0.00 C ATOM 0 H LEU B 314 -1.996 -8.406 7.017 1.00 0.00 H new ATOM 0 HA LEU B 314 -3.963 -8.199 4.870 1.00 0.00 H new ATOM 0 HB2 LEU B 314 -5.331 -9.360 6.141 1.00 0.00 H new ATOM 0 HB3 LEU B 314 -3.830 -9.886 6.877 1.00 0.00 H new ATOM 0 HG LEU B 314 -5.324 -9.415 8.649 1.00 0.00 H new ATOM 0 HD11 LEU B 314 -4.245 -7.565 9.876 1.00 0.00 H new ATOM 0 HD12 LEU B 314 -3.059 -8.621 9.073 1.00 0.00 H new ATOM 0 HD13 LEU B 314 -3.459 -7.036 8.370 1.00 0.00 H new ATOM 0 HD21 LEU B 314 -6.505 -7.252 8.932 1.00 0.00 H new ATOM 0 HD22 LEU B 314 -5.863 -6.707 7.364 1.00 0.00 H new ATOM 0 HD23 LEU B 314 -6.987 -8.085 7.436 1.00 0.00 H new ATOM 480 N VAL B 315 -4.364 -5.899 5.048 1.00 0.00 N ATOM 481 CA VAL B 315 -4.730 -4.501 5.037 1.00 0.00 C ATOM 482 C VAL B 315 -6.157 -4.333 4.540 1.00 0.00 C ATOM 483 O VAL B 315 -6.684 -5.235 3.920 1.00 0.00 O ATOM 484 CB VAL B 315 -3.768 -3.782 4.110 1.00 0.00 C ATOM 485 CG1 VAL B 315 -2.333 -3.954 4.610 1.00 0.00 C ATOM 486 CG2 VAL B 315 -3.908 -4.369 2.692 1.00 0.00 C ATOM 0 H VAL B 315 -4.311 -6.324 4.122 1.00 0.00 H new ATOM 0 HA VAL B 315 -4.675 -4.087 6.044 1.00 0.00 H new ATOM 0 HB VAL B 315 -4.003 -2.718 4.090 1.00 0.00 H new ATOM 0 HG11 VAL B 315 -1.649 -3.435 3.939 1.00 0.00 H new ATOM 0 HG12 VAL B 315 -2.245 -3.536 5.613 1.00 0.00 H new ATOM 0 HG13 VAL B 315 -2.081 -5.014 4.635 1.00 0.00 H new ATOM 0 HG21 VAL B 315 -3.220 -3.859 2.017 1.00 0.00 H new ATOM 0 HG22 VAL B 315 -3.672 -5.433 2.714 1.00 0.00 H new ATOM 0 HG23 VAL B 315 -4.930 -4.231 2.340 1.00 0.00 H new ATOM 496 N LYS B 316 -6.784 -3.183 4.801 1.00 0.00 N ATOM 497 CA LYS B 316 -8.141 -2.957 4.339 1.00 0.00 C ATOM 498 C LYS B 316 -8.121 -2.005 3.165 1.00 0.00 C ATOM 499 O LYS B 316 -7.269 -1.132 3.078 1.00 0.00 O ATOM 500 CB LYS B 316 -9.000 -2.366 5.443 1.00 0.00 C ATOM 501 CG LYS B 316 -8.743 -3.100 6.760 1.00 0.00 C ATOM 502 CD LYS B 316 -10.040 -3.173 7.574 1.00 0.00 C ATOM 503 CE LYS B 316 -10.508 -1.759 7.924 1.00 0.00 C ATOM 504 NZ LYS B 316 -10.772 -1.668 9.386 1.00 0.00 N1+ ATOM 0 H LYS B 316 -6.374 -2.408 5.323 1.00 0.00 H new ATOM 0 HA LYS B 316 -8.566 -3.915 4.041 1.00 0.00 H new ATOM 0 HB2 LYS B 316 -8.777 -1.305 5.559 1.00 0.00 H new ATOM 0 HB3 LYS B 316 -10.054 -2.443 5.175 1.00 0.00 H new ATOM 0 HG2 LYS B 316 -8.371 -4.105 6.561 1.00 0.00 H new ATOM 0 HG3 LYS B 316 -7.973 -2.582 7.331 1.00 0.00 H new ATOM 0 HD2 LYS B 316 -10.811 -3.691 7.003 1.00 0.00 H new ATOM 0 HD3 LYS B 316 -9.877 -3.749 8.485 1.00 0.00 H new ATOM 0 HE2 LYS B 316 -9.749 -1.032 7.635 1.00 0.00 H new ATOM 0 HE3 LYS B 316 -11.412 -1.515 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS B 316 -11.090 -0.706 9.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 316 -11.511 -2.351 9.649 1.00 0.00 H new ATOM 0 HZ3 LYS B 316 -9.900 -1.883 9.910 1.00 0.00 H new ATOM 518 N GLU B 317 -9.048 -2.201 2.258 1.00 0.00 N ATOM 519 CA GLU B 317 -9.111 -1.377 1.064 1.00 0.00 C ATOM 520 C GLU B 317 -10.520 -0.914 0.748 1.00 0.00 C ATOM 521 O GLU B 317 -11.501 -1.563 1.069 1.00 0.00 O ATOM 522 CB GLU B 317 -8.587 -2.168 -0.119 1.00 0.00 C ATOM 523 CG GLU B 317 -8.247 -1.217 -1.276 1.00 0.00 C ATOM 524 CD GLU B 317 -7.480 -1.959 -2.361 1.00 0.00 C ATOM 525 OE1 GLU B 317 -6.467 -2.554 -2.037 1.00 0.00 O1- ATOM 526 OE2 GLU B 317 -7.912 -1.914 -3.501 1.00 0.00 O ATOM 0 H GLU B 317 -9.769 -2.920 2.319 1.00 0.00 H new ATOM 0 HA GLU B 317 -8.502 -0.493 1.251 1.00 0.00 H new ATOM 0 HB2 GLU B 317 -7.700 -2.731 0.173 1.00 0.00 H new ATOM 0 HB3 GLU B 317 -9.333 -2.894 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU B 317 -9.163 -0.796 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU B 317 -7.652 -0.382 -0.907 1.00 0.00 H new ATOM 678 N VAL B 326 -12.533 -2.839 2.825 1.00 0.00 N ATOM 679 CA VAL B 326 -12.680 -4.271 2.788 1.00 0.00 C ATOM 680 C VAL B 326 -11.371 -4.937 3.193 1.00 0.00 C ATOM 681 O VAL B 326 -10.342 -4.662 2.576 1.00 0.00 O ATOM 682 CB VAL B 326 -13.033 -4.661 1.364 1.00 0.00 C ATOM 683 CG1 VAL B 326 -12.680 -6.122 1.123 1.00 0.00 C ATOM 684 CG2 VAL B 326 -14.525 -4.427 1.136 1.00 0.00 C ATOM 0 HA VAL B 326 -13.459 -4.592 3.479 1.00 0.00 H new ATOM 0 HB VAL B 326 -12.464 -4.050 0.663 1.00 0.00 H new ATOM 0 HG11 VAL B 326 -12.936 -6.394 0.099 1.00 0.00 H new ATOM 0 HG12 VAL B 326 -11.612 -6.269 1.281 1.00 0.00 H new ATOM 0 HG13 VAL B 326 -13.239 -6.751 1.816 1.00 0.00 H new ATOM 0 HG21 VAL B 326 -14.785 -4.705 0.115 1.00 0.00 H new ATOM 0 HG22 VAL B 326 -15.100 -5.035 1.835 1.00 0.00 H new ATOM 0 HG23 VAL B 326 -14.757 -3.374 1.295 1.00 0.00 H new ATOM 694 N PRO B 327 -11.359 -5.805 4.186 1.00 0.00 N ATOM 695 CA PRO B 327 -10.103 -6.480 4.577 1.00 0.00 C ATOM 696 C PRO B 327 -9.405 -6.938 3.317 1.00 0.00 C ATOM 697 O PRO B 327 -10.064 -7.270 2.332 1.00 0.00 O ATOM 698 CB PRO B 327 -10.561 -7.657 5.437 1.00 0.00 C ATOM 699 CG PRO B 327 -11.881 -7.243 6.002 1.00 0.00 C ATOM 700 CD PRO B 327 -12.494 -6.234 5.023 1.00 0.00 C ATOM 0 HA PRO B 327 -9.401 -5.850 5.124 1.00 0.00 H new ATOM 0 HB2 PRO B 327 -10.655 -8.565 4.842 1.00 0.00 H new ATOM 0 HB3 PRO B 327 -9.843 -7.868 6.229 1.00 0.00 H new ATOM 0 HG2 PRO B 327 -12.535 -8.106 6.125 1.00 0.00 H new ATOM 0 HG3 PRO B 327 -11.755 -6.795 6.988 1.00 0.00 H new ATOM 0 HD2 PRO B 327 -13.281 -6.690 4.423 1.00 0.00 H new ATOM 0 HD3 PRO B 327 -12.942 -5.391 5.549 1.00 0.00 H new ATOM 708 N ARG B 328 -8.094 -6.920 3.311 1.00 0.00 N ATOM 709 CA ARG B 328 -7.389 -7.293 2.123 1.00 0.00 C ATOM 710 C ARG B 328 -6.074 -7.894 2.514 1.00 0.00 C ATOM 711 O ARG B 328 -5.827 -8.136 3.692 1.00 0.00 O ATOM 712 CB ARG B 328 -7.201 -6.070 1.213 1.00 0.00 C ATOM 713 CG ARG B 328 -6.691 -6.501 -0.163 1.00 0.00 C ATOM 714 CD ARG B 328 -7.333 -5.627 -1.240 1.00 0.00 C ATOM 715 NE ARG B 328 -6.841 -6.005 -2.559 1.00 0.00 N ATOM 716 CZ ARG B 328 -7.554 -5.763 -3.655 1.00 0.00 C ATOM 717 NH1 ARG B 328 -8.718 -5.180 -3.561 1.00 0.00 N ATOM 718 NH2 ARG B 328 -7.091 -6.111 -4.824 1.00 0.00 N1+ ATOM 0 H ARG B 328 -7.508 -6.655 4.103 1.00 0.00 H new ATOM 0 HA ARG B 328 -7.961 -8.032 1.561 1.00 0.00 H new ATOM 0 HB2 ARG B 328 -8.147 -5.539 1.107 1.00 0.00 H new ATOM 0 HB3 ARG B 328 -6.495 -5.375 1.668 1.00 0.00 H new ATOM 0 HG2 ARG B 328 -5.606 -6.411 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG B 328 -6.931 -7.550 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG B 328 -8.417 -5.733 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG B 328 -7.109 -4.578 -1.048 1.00 0.00 H new ATOM 0 HE ARG B 328 -5.934 -6.463 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG B 328 -9.081 -4.910 -2.647 1.00 0.00 H new ATOM 0 HH12 ARG B 328 -9.265 -4.994 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG B 328 -6.182 -6.569 -4.897 1.00 0.00 H new ATOM 0 HH22 ARG B 328 -7.638 -5.926 -5.665 1.00 0.00 H new ATOM 732 N LEU B 329 -5.255 -8.182 1.536 1.00 0.00 N ATOM 733 CA LEU B 329 -4.009 -8.816 1.812 1.00 0.00 C ATOM 734 C LEU B 329 -2.963 -8.285 0.856 1.00 0.00 C ATOM 735 O LEU B 329 -3.126 -8.347 -0.348 1.00 0.00 O ATOM 736 CB LEU B 329 -4.273 -10.324 1.695 1.00 0.00 C ATOM 737 CG LEU B 329 -3.175 -11.193 2.332 1.00 0.00 C ATOM 738 CD1 LEU B 329 -3.159 -12.569 1.654 1.00 0.00 C ATOM 739 CD2 LEU B 329 -1.795 -10.562 2.180 1.00 0.00 C ATOM 0 H LEU B 329 -5.433 -7.986 0.551 1.00 0.00 H new ATOM 0 HA LEU B 329 -3.617 -8.610 2.808 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -5.227 -10.555 2.168 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -4.367 -10.587 0.641 1.00 0.00 H new ATOM 0 HG LEU B 329 -3.399 -11.284 3.395 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -2.382 -13.187 2.103 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -4.128 -13.051 1.786 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -2.956 -12.448 0.590 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -1.047 -11.206 2.643 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -1.565 -10.441 1.121 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -1.785 -9.587 2.667 1.00 0.00 H new ATOM 751 N LEU B 330 -1.900 -7.736 1.419 1.00 0.00 N ATOM 752 CA LEU B 330 -0.826 -7.170 0.639 1.00 0.00 C ATOM 753 C LEU B 330 0.321 -8.140 0.618 1.00 0.00 C ATOM 754 O LEU B 330 0.445 -8.964 1.516 1.00 0.00 O ATOM 755 CB LEU B 330 -0.409 -5.852 1.298 1.00 0.00 C ATOM 756 CG LEU B 330 0.927 -5.331 0.747 1.00 0.00 C ATOM 757 CD1 LEU B 330 0.753 -4.906 -0.707 1.00 0.00 C ATOM 758 CD2 LEU B 330 1.359 -4.140 1.592 1.00 0.00 C ATOM 0 H LEU B 330 -1.763 -7.673 2.428 1.00 0.00 H new ATOM 0 HA LEU B 330 -1.139 -6.980 -0.388 1.00 0.00 H new ATOM 0 HB2 LEU B 330 -1.185 -5.104 1.135 1.00 0.00 H new ATOM 0 HB3 LEU B 330 -0.326 -5.996 2.375 1.00 0.00 H new ATOM 0 HG LEU B 330 1.685 -6.113 0.790 1.00 0.00 H new ATOM 0 HD11 LEU B 330 1.703 -4.537 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU B 330 0.427 -5.761 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU B 330 0.005 -4.116 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU B 330 2.307 -3.753 1.218 1.00 0.00 H new ATOM 0 HD22 LEU B 330 0.601 -3.359 1.535 1.00 0.00 H new ATOM 0 HD23 LEU B 330 1.479 -4.454 2.629 1.00 0.00 H new ATOM 770 N GLY B 331 1.184 -8.011 -0.376 1.00 0.00 N ATOM 771 CA GLY B 331 2.331 -8.860 -0.444 1.00 0.00 C ATOM 772 C GLY B 331 3.538 -8.077 -0.920 1.00 0.00 C ATOM 773 O GLY B 331 3.651 -7.733 -2.089 1.00 0.00 O ATOM 0 H GLY B 331 1.103 -7.331 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY B 331 2.532 -9.290 0.537 1.00 0.00 H new ATOM 0 HA3 GLY B 331 2.137 -9.691 -1.123 1.00 0.00 H new ATOM 777 N ILE B 332 4.454 -7.827 -0.012 1.00 0.00 N ATOM 778 CA ILE B 332 5.674 -7.139 -0.367 1.00 0.00 C ATOM 779 C ILE B 332 6.686 -8.169 -0.800 1.00 0.00 C ATOM 780 O ILE B 332 7.002 -9.091 -0.058 1.00 0.00 O ATOM 781 CB ILE B 332 6.248 -6.369 0.814 1.00 0.00 C ATOM 782 CG1 ILE B 332 5.178 -5.457 1.413 1.00 0.00 C ATOM 783 CG2 ILE B 332 7.447 -5.535 0.350 1.00 0.00 C ATOM 784 CD1 ILE B 332 4.554 -4.600 0.310 1.00 0.00 C ATOM 0 H ILE B 332 4.379 -8.088 0.971 1.00 0.00 H new ATOM 0 HA ILE B 332 5.452 -6.429 -1.164 1.00 0.00 H new ATOM 0 HB ILE B 332 6.576 -7.075 1.577 1.00 0.00 H new ATOM 0 HG12 ILE B 332 4.409 -6.055 1.901 1.00 0.00 H new ATOM 0 HG13 ILE B 332 5.618 -4.818 2.178 1.00 0.00 H new ATOM 0 HG21 ILE B 332 7.857 -4.984 1.197 1.00 0.00 H new ATOM 0 HG22 ILE B 332 8.213 -6.194 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE B 332 7.126 -4.832 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE B 332 3.792 -3.951 0.741 1.00 0.00 H new ATOM 0 HD12 ILE B 332 5.327 -3.991 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE B 332 4.098 -5.247 -0.440 1.00 0.00 H new ATOM 796 N THR B 333 7.188 -7.992 -1.993 1.00 0.00 N ATOM 797 CA THR B 333 8.159 -8.881 -2.548 1.00 0.00 C ATOM 798 C THR B 333 9.419 -8.097 -2.809 1.00 0.00 C ATOM 799 O THR B 333 9.357 -6.975 -3.298 1.00 0.00 O ATOM 800 CB THR B 333 7.615 -9.452 -3.851 1.00 0.00 C ATOM 801 OG1 THR B 333 7.858 -8.539 -4.906 1.00 0.00 O ATOM 802 CG2 THR B 333 6.110 -9.681 -3.709 1.00 0.00 C ATOM 0 H THR B 333 6.929 -7.220 -2.607 1.00 0.00 H new ATOM 0 HA THR B 333 8.373 -9.702 -1.863 1.00 0.00 H new ATOM 0 HB THR B 333 8.110 -10.397 -4.072 1.00 0.00 H new ATOM 0 HG1 THR B 333 7.137 -8.603 -5.567 1.00 0.00 H new ATOM 0 HG21 THR B 333 5.715 -10.090 -4.639 1.00 0.00 H new ATOM 0 HG22 THR B 333 5.924 -10.383 -2.896 1.00 0.00 H new ATOM 0 HG23 THR B 333 5.617 -8.734 -3.491 1.00 0.00 H new ATOM 810 N LYS B 334 10.554 -8.678 -2.485 1.00 0.00 N ATOM 811 CA LYS B 334 11.830 -8.001 -2.697 1.00 0.00 C ATOM 812 C LYS B 334 12.019 -7.600 -4.156 1.00 0.00 C ATOM 813 O LYS B 334 13.111 -7.261 -4.576 1.00 0.00 O ATOM 814 CB LYS B 334 12.974 -8.911 -2.266 1.00 0.00 C ATOM 815 CG LYS B 334 13.171 -10.026 -3.294 1.00 0.00 C ATOM 816 CD LYS B 334 13.566 -11.318 -2.576 1.00 0.00 C ATOM 817 CE LYS B 334 14.236 -12.270 -3.567 1.00 0.00 C ATOM 818 NZ LYS B 334 15.716 -12.123 -3.473 1.00 0.00 N1+ ATOM 0 H LYS B 334 10.627 -9.610 -2.077 1.00 0.00 H new ATOM 0 HA LYS B 334 11.829 -7.092 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS B 334 13.892 -8.332 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS B 334 12.759 -9.341 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS B 334 12.253 -10.179 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS B 334 13.944 -9.744 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS B 334 14.246 -11.096 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS B 334 12.684 -11.790 -2.142 1.00 0.00 H new ATOM 0 HE2 LYS B 334 13.947 -13.299 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS B 334 13.902 -12.051 -4.581 1.00 0.00 H new ATOM 0 HZ1 LYS B 334 16.173 -12.770 -4.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 334 15.983 -11.143 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 334 16.027 -12.353 -2.508 1.00 0.00 H new ATOM 832 N GLU B 335 10.947 -7.656 -4.911 1.00 0.00 N ATOM 833 CA GLU B 335 10.958 -7.279 -6.317 1.00 0.00 C ATOM 834 C GLU B 335 9.643 -6.613 -6.707 1.00 0.00 C ATOM 835 O GLU B 335 9.464 -6.226 -7.862 1.00 0.00 O ATOM 836 CB GLU B 335 11.186 -8.512 -7.192 1.00 0.00 C ATOM 837 CG GLU B 335 10.202 -9.614 -6.790 1.00 0.00 C ATOM 838 CD GLU B 335 10.242 -10.749 -7.808 1.00 0.00 C ATOM 839 OE1 GLU B 335 11.331 -11.201 -8.119 1.00 0.00 O ATOM 840 OE2 GLU B 335 9.182 -11.147 -8.264 1.00 0.00 O1- ATOM 0 H GLU B 335 10.036 -7.965 -4.572 1.00 0.00 H new ATOM 0 HA GLU B 335 11.771 -6.570 -6.472 1.00 0.00 H new ATOM 0 HB2 GLU B 335 11.051 -8.255 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU B 335 12.211 -8.866 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU B 335 10.454 -9.994 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU B 335 9.193 -9.206 -6.728 1.00 0.00 H new ATOM 847 N CYS B 336 8.699 -6.528 -5.768 1.00 0.00 N ATOM 848 CA CYS B 336 7.404 -5.968 -6.094 1.00 0.00 C ATOM 849 C CYS B 336 6.509 -5.811 -4.892 1.00 0.00 C ATOM 850 O CYS B 336 6.859 -6.145 -3.762 1.00 0.00 O ATOM 851 CB CYS B 336 6.701 -6.847 -7.132 1.00 0.00 C ATOM 852 SG CYS B 336 5.342 -7.755 -6.354 1.00 0.00 S ATOM 0 H CYS B 336 8.810 -6.834 -4.801 1.00 0.00 H new ATOM 0 HA CYS B 336 7.589 -4.972 -6.495 1.00 0.00 H new ATOM 0 HB2 CYS B 336 6.319 -6.229 -7.945 1.00 0.00 H new ATOM 0 HB3 CYS B 336 7.413 -7.546 -7.571 1.00 0.00 H new ATOM 0 HG CYS B 336 4.751 -8.497 -7.243 1.00 0.00 H new ATOM 858 N VAL B 337 5.339 -5.283 -5.181 1.00 0.00 N ATOM 859 CA VAL B 337 4.325 -5.039 -4.185 1.00 0.00 C ATOM 860 C VAL B 337 3.026 -5.480 -4.787 1.00 0.00 C ATOM 861 O VAL B 337 2.882 -5.392 -5.999 1.00 0.00 O ATOM 862 CB VAL B 337 4.310 -3.553 -3.889 1.00 0.00 C ATOM 863 CG1 VAL B 337 3.459 -3.262 -2.654 1.00 0.00 C ATOM 864 CG2 VAL B 337 5.748 -3.130 -3.645 1.00 0.00 C ATOM 0 H VAL B 337 5.065 -5.009 -6.125 1.00 0.00 H new ATOM 0 HA VAL B 337 4.505 -5.576 -3.254 1.00 0.00 H new ATOM 0 HB VAL B 337 3.879 -3.001 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL B 337 3.459 -2.190 -2.456 1.00 0.00 H new ATOM 0 HG12 VAL B 337 2.437 -3.598 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL B 337 3.873 -3.790 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL B 337 5.781 -2.062 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL B 337 6.152 -3.686 -2.799 1.00 0.00 H new ATOM 0 HG23 VAL B 337 6.344 -3.338 -4.533 1.00 0.00 H new ATOM 874 N MET B 338 2.101 -6.008 -4.002 1.00 0.00 N ATOM 875 CA MET B 338 0.886 -6.489 -4.639 1.00 0.00 C ATOM 876 C MET B 338 -0.332 -6.502 -3.736 1.00 0.00 C ATOM 877 O MET B 338 -0.237 -6.737 -2.534 1.00 0.00 O ATOM 878 CB MET B 338 1.111 -7.905 -5.156 1.00 0.00 C ATOM 879 CG MET B 338 2.056 -8.675 -4.231 1.00 0.00 C ATOM 880 SD MET B 338 2.382 -10.314 -4.925 1.00 0.00 S ATOM 881 CE MET B 338 3.165 -11.033 -3.462 1.00 0.00 C ATOM 0 H MET B 338 2.157 -6.111 -2.989 1.00 0.00 H new ATOM 0 HA MET B 338 0.677 -5.785 -5.445 1.00 0.00 H new ATOM 0 HB2 MET B 338 0.157 -8.428 -5.226 1.00 0.00 H new ATOM 0 HB3 MET B 338 1.529 -7.868 -6.162 1.00 0.00 H new ATOM 0 HG2 MET B 338 2.991 -8.127 -4.111 1.00 0.00 H new ATOM 0 HG3 MET B 338 1.613 -8.770 -3.240 1.00 0.00 H new ATOM 0 HE1 MET B 338 4.000 -11.663 -3.769 1.00 0.00 H new ATOM 0 HE2 MET B 338 3.530 -10.235 -2.816 1.00 0.00 H new ATOM 0 HE3 MET B 338 2.437 -11.635 -2.919 1.00 0.00 H new ATOM 891 N ARG B 339 -1.491 -6.321 -4.361 1.00 0.00 N ATOM 892 CA ARG B 339 -2.753 -6.377 -3.642 1.00 0.00 C ATOM 893 C ARG B 339 -3.316 -7.777 -3.766 1.00 0.00 C ATOM 894 O ARG B 339 -3.752 -8.192 -4.843 1.00 0.00 O ATOM 895 CB ARG B 339 -3.751 -5.378 -4.211 1.00 0.00 C ATOM 896 CG ARG B 339 -3.133 -3.980 -4.210 1.00 0.00 C ATOM 897 CD ARG B 339 -4.043 -3.013 -3.455 1.00 0.00 C ATOM 898 NE ARG B 339 -3.977 -3.278 -2.022 1.00 0.00 N ATOM 899 CZ ARG B 339 -2.883 -2.995 -1.317 1.00 0.00 C ATOM 900 NH1 ARG B 339 -1.839 -2.478 -1.904 1.00 0.00 N ATOM 901 NH2 ARG B 339 -2.853 -3.244 -0.038 1.00 0.00 N1+ ATOM 0 H ARG B 339 -1.580 -6.135 -5.360 1.00 0.00 H new ATOM 0 HA ARG B 339 -2.578 -6.124 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG B 339 -4.028 -5.663 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG B 339 -4.665 -5.383 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG B 339 -2.149 -4.008 -3.742 1.00 0.00 H new ATOM 0 HG3 ARG B 339 -2.990 -3.635 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG B 339 -3.742 -1.985 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG B 339 -5.070 -3.119 -3.805 1.00 0.00 H new ATOM 0 HE ARG B 339 -4.784 -3.688 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG B 339 -1.859 -2.289 -2.906 1.00 0.00 H new ATOM 0 HH12 ARG B 339 -1.003 -2.263 -1.361 1.00 0.00 H new ATOM 0 HH21 ARG B 339 -3.666 -3.655 0.421 1.00 0.00 H new ATOM 0 HH22 ARG B 339 -2.016 -3.028 0.504 1.00 0.00 H new ATOM 915 N VAL B 340 -3.263 -8.504 -2.667 1.00 0.00 N ATOM 916 CA VAL B 340 -3.731 -9.870 -2.631 1.00 0.00 C ATOM 917 C VAL B 340 -5.124 -9.960 -2.036 1.00 0.00 C ATOM 918 O VAL B 340 -5.521 -9.129 -1.221 1.00 0.00 O ATOM 919 CB VAL B 340 -2.744 -10.729 -1.854 1.00 0.00 C ATOM 920 CG1 VAL B 340 -2.960 -12.186 -2.209 1.00 0.00 C ATOM 921 CG2 VAL B 340 -1.330 -10.324 -2.225 1.00 0.00 C ATOM 0 H VAL B 340 -2.895 -8.163 -1.779 1.00 0.00 H new ATOM 0 HA VAL B 340 -3.795 -10.245 -3.653 1.00 0.00 H new ATOM 0 HB VAL B 340 -2.896 -10.588 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL B 340 -2.254 -12.804 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL B 340 -3.978 -12.476 -1.950 1.00 0.00 H new ATOM 0 HG13 VAL B 340 -2.803 -12.327 -3.278 1.00 0.00 H new ATOM 0 HG21 VAL B 340 -0.619 -10.937 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL B 340 -1.179 -10.470 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL B 340 -1.175 -9.274 -1.977 1.00 0.00 H new ATOM 931 N ASP B 341 -5.873 -10.958 -2.485 1.00 0.00 N ATOM 932 CA ASP B 341 -7.238 -11.140 -2.027 1.00 0.00 C ATOM 933 C ASP B 341 -7.281 -12.045 -0.812 1.00 0.00 C ATOM 934 O ASP B 341 -7.360 -13.255 -0.937 1.00 0.00 O ATOM 935 CB ASP B 341 -8.089 -11.742 -3.147 1.00 0.00 C ATOM 936 CG ASP B 341 -9.570 -11.546 -2.837 1.00 0.00 C ATOM 937 OD1 ASP B 341 -9.873 -11.127 -1.732 1.00 0.00 O1- ATOM 938 OD2 ASP B 341 -10.377 -11.820 -3.709 1.00 0.00 O ATOM 0 H ASP B 341 -5.557 -11.651 -3.164 1.00 0.00 H new ATOM 0 HA ASP B 341 -7.639 -10.165 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP B 341 -7.842 -11.269 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP B 341 -7.868 -12.804 -3.252 1.00 0.00 H new ATOM 943 N GLU B 342 -7.234 -11.433 0.356 1.00 0.00 N ATOM 944 CA GLU B 342 -7.271 -12.162 1.622 1.00 0.00 C ATOM 945 C GLU B 342 -8.177 -13.377 1.513 1.00 0.00 C ATOM 946 O GLU B 342 -7.981 -14.385 2.193 1.00 0.00 O ATOM 947 CB GLU B 342 -7.817 -11.217 2.702 1.00 0.00 C ATOM 948 CG GLU B 342 -7.171 -11.494 4.058 1.00 0.00 C ATOM 949 CD GLU B 342 -8.210 -11.344 5.164 1.00 0.00 C ATOM 950 OE1 GLU B 342 -8.443 -10.223 5.584 1.00 0.00 O ATOM 951 OE2 GLU B 342 -8.758 -12.354 5.575 1.00 0.00 O1- ATOM 0 H GLU B 342 -7.169 -10.420 0.460 1.00 0.00 H new ATOM 0 HA GLU B 342 -6.267 -12.503 1.876 1.00 0.00 H new ATOM 0 HB2 GLU B 342 -7.630 -10.183 2.412 1.00 0.00 H new ATOM 0 HB3 GLU B 342 -8.898 -11.336 2.780 1.00 0.00 H new ATOM 0 HG2 GLU B 342 -6.753 -12.500 4.073 1.00 0.00 H new ATOM 0 HG3 GLU B 342 -6.345 -10.803 4.226 1.00 0.00 H new ATOM 958 N LYS B 343 -9.163 -13.261 0.650 1.00 0.00 N ATOM 959 CA LYS B 343 -10.117 -14.332 0.425 1.00 0.00 C ATOM 960 C LYS B 343 -9.508 -15.467 -0.393 1.00 0.00 C ATOM 961 O LYS B 343 -9.735 -16.641 -0.101 1.00 0.00 O ATOM 962 CB LYS B 343 -11.318 -13.779 -0.330 1.00 0.00 C ATOM 963 CG LYS B 343 -12.007 -12.712 0.518 1.00 0.00 C ATOM 964 CD LYS B 343 -12.938 -11.885 -0.370 1.00 0.00 C ATOM 965 CE LYS B 343 -14.067 -11.299 0.478 1.00 0.00 C ATOM 966 NZ LYS B 343 -13.533 -10.897 1.810 1.00 0.00 N1+ ATOM 0 H LYS B 343 -9.328 -12.427 0.086 1.00 0.00 H new ATOM 0 HA LYS B 343 -10.413 -14.728 1.397 1.00 0.00 H new ATOM 0 HB2 LYS B 343 -10.998 -13.352 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS B 343 -12.017 -14.583 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS B 343 -12.574 -13.180 1.322 1.00 0.00 H new ATOM 0 HG3 LYS B 343 -11.264 -12.067 0.986 1.00 0.00 H new ATOM 0 HD2 LYS B 343 -12.379 -11.084 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS B 343 -13.351 -12.509 -1.162 1.00 0.00 H new ATOM 0 HE2 LYS B 343 -14.504 -10.437 -0.025 1.00 0.00 H new ATOM 0 HE3 LYS B 343 -14.863 -12.034 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 343 -14.103 -10.115 2.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 343 -13.578 -11.707 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 343 -12.545 -10.588 1.709 1.00 0.00 H new ATOM 980 N THR B 344 -8.772 -15.109 -1.442 1.00 0.00 N ATOM 981 CA THR B 344 -8.179 -16.102 -2.325 1.00 0.00 C ATOM 982 C THR B 344 -6.660 -16.177 -2.178 1.00 0.00 C ATOM 983 O THR B 344 -6.038 -17.109 -2.684 1.00 0.00 O ATOM 984 CB THR B 344 -8.536 -15.760 -3.769 1.00 0.00 C ATOM 985 OG1 THR B 344 -7.547 -14.895 -4.309 1.00 0.00 O ATOM 986 CG2 THR B 344 -9.901 -15.070 -3.810 1.00 0.00 C ATOM 0 H THR B 344 -8.574 -14.142 -1.698 1.00 0.00 H new ATOM 0 HA THR B 344 -8.580 -17.077 -2.049 1.00 0.00 H new ATOM 0 HB THR B 344 -8.578 -16.675 -4.359 1.00 0.00 H new ATOM 0 HG1 THR B 344 -7.977 -14.220 -4.875 1.00 0.00 H new ATOM 0 HG21 THR B 344 -10.155 -14.826 -4.842 1.00 0.00 H new ATOM 0 HG22 THR B 344 -10.658 -15.737 -3.398 1.00 0.00 H new ATOM 0 HG23 THR B 344 -9.864 -14.154 -3.220 1.00 0.00 H new ATOM 994 N LYS B 345 -6.063 -15.199 -1.498 1.00 0.00 N ATOM 995 CA LYS B 345 -4.622 -15.186 -1.314 1.00 0.00 C ATOM 996 C LYS B 345 -3.928 -14.983 -2.652 1.00 0.00 C ATOM 997 O LYS B 345 -2.702 -14.901 -2.725 1.00 0.00 O ATOM 998 CB LYS B 345 -4.173 -16.503 -0.688 1.00 0.00 C ATOM 999 CG LYS B 345 -2.822 -16.314 0.008 1.00 0.00 C ATOM 1000 CD LYS B 345 -3.049 -16.059 1.499 1.00 0.00 C ATOM 1001 CE LYS B 345 -3.276 -17.390 2.220 1.00 0.00 C ATOM 1002 NZ LYS B 345 -1.995 -17.856 2.819 1.00 0.00 N1+ ATOM 0 H LYS B 345 -6.554 -14.414 -1.071 1.00 0.00 H new ATOM 0 HA LYS B 345 -4.353 -14.364 -0.651 1.00 0.00 H new ATOM 0 HB2 LYS B 345 -4.917 -16.847 0.030 1.00 0.00 H new ATOM 0 HB3 LYS B 345 -4.092 -17.272 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS B 345 -2.202 -17.200 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS B 345 -2.285 -15.477 -0.438 1.00 0.00 H new ATOM 0 HD2 LYS B 345 -2.187 -15.545 1.925 1.00 0.00 H new ATOM 0 HD3 LYS B 345 -3.911 -15.406 1.639 1.00 0.00 H new ATOM 0 HE2 LYS B 345 -4.031 -17.270 2.997 1.00 0.00 H new ATOM 0 HE3 LYS B 345 -3.654 -18.135 1.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 345 -2.150 -18.760 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 345 -1.287 -17.986 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 345 -1.652 -17.148 3.499 1.00 0.00 H new ATOM 1016 N GLU B 346 -4.727 -14.884 -3.709 1.00 0.00 N ATOM 1017 CA GLU B 346 -4.192 -14.667 -5.040 1.00 0.00 C ATOM 1018 C GLU B 346 -3.971 -13.184 -5.256 1.00 0.00 C ATOM 1019 O GLU B 346 -4.631 -12.349 -4.639 1.00 0.00 O ATOM 1020 CB GLU B 346 -5.146 -15.202 -6.099 1.00 0.00 C ATOM 1021 CG GLU B 346 -5.489 -16.656 -5.783 1.00 0.00 C ATOM 1022 CD GLU B 346 -5.399 -17.501 -7.049 1.00 0.00 C ATOM 1023 OE1 GLU B 346 -4.346 -17.498 -7.665 1.00 0.00 O1- ATOM 1024 OE2 GLU B 346 -6.384 -18.139 -7.384 1.00 0.00 O ATOM 0 H GLU B 346 -5.744 -14.951 -3.666 1.00 0.00 H new ATOM 0 HA GLU B 346 -3.245 -15.200 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU B 346 -6.054 -14.600 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU B 346 -4.689 -15.131 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU B 346 -4.805 -17.044 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU B 346 -6.494 -16.719 -5.365 1.00 0.00 H new ATOM 1031 N VAL B 347 -3.018 -12.863 -6.103 1.00 0.00 N ATOM 1032 CA VAL B 347 -2.690 -11.469 -6.358 1.00 0.00 C ATOM 1033 C VAL B 347 -3.612 -10.840 -7.376 1.00 0.00 C ATOM 1034 O VAL B 347 -3.887 -11.408 -8.432 1.00 0.00 O ATOM 1035 CB VAL B 347 -1.248 -11.326 -6.811 1.00 0.00 C ATOM 1036 CG1 VAL B 347 -0.991 -9.869 -7.205 1.00 0.00 C ATOM 1037 CG2 VAL B 347 -0.344 -11.700 -5.643 1.00 0.00 C ATOM 0 H VAL B 347 -2.459 -13.538 -6.625 1.00 0.00 H new ATOM 0 HA VAL B 347 -2.825 -10.939 -5.415 1.00 0.00 H new ATOM 0 HB VAL B 347 -1.049 -11.973 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL B 347 0.043 -9.757 -7.532 1.00 0.00 H new ATOM 0 HG12 VAL B 347 -1.661 -9.588 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL B 347 -1.172 -9.223 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL B 347 0.699 -11.605 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL B 347 -0.541 -11.034 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL B 347 -0.543 -12.729 -5.344 1.00 0.00 H new ATOM 1047 N ILE B 348 -4.061 -9.638 -7.050 1.00 0.00 N ATOM 1048 CA ILE B 348 -4.925 -8.895 -7.936 1.00 0.00 C ATOM 1049 C ILE B 348 -4.098 -7.831 -8.623 1.00 0.00 C ATOM 1050 O ILE B 348 -4.377 -7.448 -9.758 1.00 0.00 O ATOM 1051 CB ILE B 348 -6.065 -8.243 -7.151 1.00 0.00 C ATOM 1052 CG1 ILE B 348 -6.699 -9.277 -6.214 1.00 0.00 C ATOM 1053 CG2 ILE B 348 -7.123 -7.721 -8.127 1.00 0.00 C ATOM 1054 CD1 ILE B 348 -7.066 -10.537 -7.005 1.00 0.00 C ATOM 0 H ILE B 348 -3.838 -9.161 -6.176 1.00 0.00 H new ATOM 0 HA ILE B 348 -5.363 -9.568 -8.673 1.00 0.00 H new ATOM 0 HB ILE B 348 -5.673 -7.414 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE B 348 -6.005 -9.529 -5.412 1.00 0.00 H new ATOM 0 HG13 ILE B 348 -7.589 -8.859 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE B 348 -7.936 -7.256 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE B 348 -6.672 -6.985 -8.792 1.00 0.00 H new ATOM 0 HG23 ILE B 348 -7.515 -8.550 -8.716 1.00 0.00 H new ATOM 0 HD11 ILE B 348 -7.516 -11.269 -6.335 1.00 0.00 H new ATOM 0 HD12 ILE B 348 -7.776 -10.279 -7.791 1.00 0.00 H new ATOM 0 HD13 ILE B 348 -6.167 -10.960 -7.453 1.00 0.00 H new ATOM 1066 N GLN B 349 -3.078 -7.345 -7.918 1.00 0.00 N ATOM 1067 CA GLN B 349 -2.230 -6.312 -8.470 1.00 0.00 C ATOM 1068 C GLN B 349 -0.778 -6.546 -8.133 1.00 0.00 C ATOM 1069 O GLN B 349 -0.451 -7.197 -7.141 1.00 0.00 O ATOM 1070 CB GLN B 349 -2.629 -5.003 -7.864 1.00 0.00 C ATOM 1071 CG GLN B 349 -1.795 -3.871 -8.448 1.00 0.00 C ATOM 1072 CD GLN B 349 -2.528 -2.543 -8.279 1.00 0.00 C ATOM 1073 OE1 GLN B 349 -2.611 -2.001 -7.094 1.00 0.00 O flip ATOM 1074 NE2 GLN B 349 -3.040 -1.986 -9.249 1.00 0.00 N flip ATOM 0 H GLN B 349 -2.828 -7.650 -6.977 1.00 0.00 H new ATOM 0 HA GLN B 349 -2.347 -6.318 -9.554 1.00 0.00 H new ATOM 0 HB2 GLN B 349 -3.687 -4.817 -8.049 1.00 0.00 H new ATOM 0 HB3 GLN B 349 -2.497 -5.040 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN B 349 -0.826 -3.827 -7.950 1.00 0.00 H new ATOM 0 HG3 GLN B 349 -1.602 -4.058 -9.504 1.00 0.00 H new ATOM 0 HE21 GLN B 349 -2.974 -2.410 -10.174 1.00 0.00 H new ATOM 0 HE22 GLN B 349 -3.530 -1.100 -9.128 1.00 0.00 H new ATOM 1083 N GLU B 350 0.085 -5.971 -8.952 1.00 0.00 N ATOM 1084 CA GLU B 350 1.518 -6.074 -8.740 1.00 0.00 C ATOM 1085 C GLU B 350 2.228 -4.809 -9.169 1.00 0.00 C ATOM 1086 O GLU B 350 1.825 -4.139 -10.118 1.00 0.00 O ATOM 1087 CB GLU B 350 2.136 -7.215 -9.543 1.00 0.00 C ATOM 1088 CG GLU B 350 1.553 -8.548 -9.107 1.00 0.00 C ATOM 1089 CD GLU B 350 1.996 -9.660 -10.049 1.00 0.00 C ATOM 1090 OE1 GLU B 350 3.138 -10.072 -9.951 1.00 0.00 O ATOM 1091 OE2 GLU B 350 1.180 -10.088 -10.850 1.00 0.00 O1- ATOM 0 H GLU B 350 -0.183 -5.427 -9.772 1.00 0.00 H new ATOM 0 HA GLU B 350 1.644 -6.252 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU B 350 1.952 -7.061 -10.606 1.00 0.00 H new ATOM 0 HB3 GLU B 350 3.217 -7.221 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU B 350 1.873 -8.776 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU B 350 0.465 -8.488 -9.093 1.00 0.00 H new ATOM 1098 N TRP B 351 3.322 -4.529 -8.494 1.00 0.00 N ATOM 1099 CA TRP B 351 4.141 -3.377 -8.838 1.00 0.00 C ATOM 1100 C TRP B 351 5.530 -3.499 -8.243 1.00 0.00 C ATOM 1101 O TRP B 351 5.682 -3.867 -7.092 1.00 0.00 O ATOM 1102 CB TRP B 351 3.487 -2.096 -8.377 1.00 0.00 C ATOM 1103 CG TRP B 351 4.248 -0.953 -8.957 1.00 0.00 C ATOM 1104 CD1 TRP B 351 5.194 -0.247 -8.314 1.00 0.00 C ATOM 1105 CD2 TRP B 351 4.152 -0.384 -10.294 1.00 0.00 C ATOM 1106 NE1 TRP B 351 5.677 0.725 -9.163 1.00 0.00 N ATOM 1107 CE2 TRP B 351 5.067 0.686 -10.393 1.00 0.00 C ATOM 1108 CE3 TRP B 351 3.364 -0.688 -11.411 1.00 0.00 C ATOM 1109 CZ2 TRP B 351 5.205 1.433 -11.561 1.00 0.00 C ATOM 1110 CZ3 TRP B 351 3.496 0.063 -12.598 1.00 0.00 C ATOM 1111 CH2 TRP B 351 4.412 1.128 -12.666 1.00 0.00 C ATOM 0 H TRP B 351 3.667 -5.078 -7.707 1.00 0.00 H new ATOM 0 HA TRP B 351 4.234 -3.349 -9.924 1.00 0.00 H new ATOM 0 HB2 TRP B 351 2.446 -2.063 -8.699 1.00 0.00 H new ATOM 0 HB3 TRP B 351 3.486 -2.039 -7.288 1.00 0.00 H new ATOM 0 HD1 TRP B 351 5.522 -0.414 -7.299 1.00 0.00 H new ATOM 0 HE1 TRP B 351 6.403 1.395 -8.908 1.00 0.00 H new ATOM 0 HE3 TRP B 351 2.653 -1.500 -11.364 1.00 0.00 H new ATOM 0 HZ2 TRP B 351 5.920 2.241 -11.610 1.00 0.00 H new ATOM 0 HZ3 TRP B 351 2.891 -0.181 -13.459 1.00 0.00 H new ATOM 0 HH2 TRP B 351 4.501 1.708 -13.573 1.00 0.00 H new ATOM 1122 N SER B 352 6.541 -3.199 -9.050 1.00 0.00 N ATOM 1123 CA SER B 352 7.916 -3.302 -8.611 1.00 0.00 C ATOM 1124 C SER B 352 8.140 -2.549 -7.320 1.00 0.00 C ATOM 1125 O SER B 352 7.654 -1.433 -7.135 1.00 0.00 O ATOM 1126 CB SER B 352 8.864 -2.755 -9.669 1.00 0.00 C ATOM 1127 OG SER B 352 8.116 -2.168 -10.723 1.00 0.00 O ATOM 0 H SER B 352 6.428 -2.882 -10.013 1.00 0.00 H new ATOM 0 HA SER B 352 8.120 -4.360 -8.447 1.00 0.00 H new ATOM 0 HB2 SER B 352 9.530 -2.014 -9.226 1.00 0.00 H new ATOM 0 HB3 SER B 352 9.492 -3.557 -10.058 1.00 0.00 H new ATOM 0 HG SER B 352 8.412 -2.539 -11.580 1.00 0.00 H new ATOM 1133 N LEU B 353 8.918 -3.157 -6.449 1.00 0.00 N ATOM 1134 CA LEU B 353 9.263 -2.551 -5.199 1.00 0.00 C ATOM 1135 C LEU B 353 10.372 -1.559 -5.500 1.00 0.00 C ATOM 1136 O LEU B 353 10.424 -0.457 -4.955 1.00 0.00 O ATOM 1137 CB LEU B 353 9.732 -3.657 -4.251 1.00 0.00 C ATOM 1138 CG LEU B 353 9.393 -3.337 -2.798 1.00 0.00 C ATOM 1139 CD1 LEU B 353 9.552 -4.587 -1.967 1.00 0.00 C ATOM 1140 CD2 LEU B 353 10.359 -2.307 -2.266 1.00 0.00 C ATOM 0 H LEU B 353 9.323 -4.082 -6.595 1.00 0.00 H new ATOM 0 HA LEU B 353 8.428 -2.034 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU B 353 9.266 -4.601 -4.534 1.00 0.00 H new ATOM 0 HB3 LEU B 353 10.809 -3.791 -4.352 1.00 0.00 H new ATOM 0 HG LEU B 353 8.371 -2.962 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU B 353 9.311 -4.366 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU B 353 8.879 -5.359 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU B 353 10.581 -4.940 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU B 353 10.114 -2.081 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU B 353 11.375 -2.698 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU B 353 10.286 -1.398 -2.863 1.00 0.00 H new ATOM 1152 N THR B 354 11.219 -1.951 -6.447 1.00 0.00 N ATOM 1153 CA THR B 354 12.301 -1.087 -6.897 1.00 0.00 C ATOM 1154 C THR B 354 11.746 0.019 -7.769 1.00 0.00 C ATOM 1155 O THR B 354 12.502 0.750 -8.409 1.00 0.00 O ATOM 1156 CB THR B 354 13.332 -1.895 -7.686 1.00 0.00 C ATOM 1157 OG1 THR B 354 14.546 -1.163 -7.763 1.00 0.00 O ATOM 1158 CG2 THR B 354 12.804 -2.157 -9.096 1.00 0.00 C ATOM 0 H THR B 354 11.176 -2.857 -6.914 1.00 0.00 H new ATOM 0 HA THR B 354 12.787 -0.651 -6.024 1.00 0.00 H new ATOM 0 HB THR B 354 13.511 -2.846 -7.184 1.00 0.00 H new ATOM 0 HG1 THR B 354 14.356 -0.243 -8.041 1.00 0.00 H new ATOM 0 HG21 THR B 354 13.539 -2.733 -9.659 1.00 0.00 H new ATOM 0 HG22 THR B 354 11.871 -2.718 -9.037 1.00 0.00 H new ATOM 0 HG23 THR B 354 12.625 -1.207 -9.600 1.00 0.00 H new ATOM 1166 N ASN B 355 10.423 0.148 -7.779 1.00 0.00 N ATOM 1167 CA ASN B 355 9.787 1.194 -8.568 1.00 0.00 C ATOM 1168 C ASN B 355 9.104 2.189 -7.655 1.00 0.00 C ATOM 1169 O ASN B 355 8.570 3.201 -8.111 1.00 0.00 O ATOM 1170 CB ASN B 355 8.758 0.608 -9.531 1.00 0.00 C ATOM 1171 CG ASN B 355 9.464 0.064 -10.769 1.00 0.00 C ATOM 1172 OD1 ASN B 355 10.669 -0.187 -10.737 1.00 0.00 O ATOM 1173 ND2 ASN B 355 8.785 -0.134 -11.865 1.00 0.00 N ATOM 0 H ASN B 355 9.780 -0.449 -7.258 1.00 0.00 H new ATOM 0 HA ASN B 355 10.563 1.695 -9.147 1.00 0.00 H new ATOM 0 HB2 ASN B 355 8.198 -0.188 -9.040 1.00 0.00 H new ATOM 0 HB3 ASN B 355 8.037 1.374 -9.818 1.00 0.00 H new ATOM 0 HD21 ASN B 355 9.252 -0.497 -12.696 1.00 0.00 H new ATOM 0 HD22 ASN B 355 7.787 0.074 -11.891 1.00 0.00 H new ATOM 1180 N ILE B 356 9.117 1.902 -6.361 1.00 0.00 N ATOM 1181 CA ILE B 356 8.482 2.786 -5.410 1.00 0.00 C ATOM 1182 C ILE B 356 9.061 4.198 -5.486 1.00 0.00 C ATOM 1183 O ILE B 356 10.244 4.378 -5.777 1.00 0.00 O ATOM 1184 CB ILE B 356 8.657 2.203 -4.028 1.00 0.00 C ATOM 1185 CG1 ILE B 356 7.779 0.954 -3.919 1.00 0.00 C ATOM 1186 CG2 ILE B 356 8.226 3.241 -3.005 1.00 0.00 C ATOM 1187 CD1 ILE B 356 8.022 0.252 -2.584 1.00 0.00 C ATOM 0 H ILE B 356 9.555 1.075 -5.955 1.00 0.00 H new ATOM 0 HA ILE B 356 7.421 2.870 -5.646 1.00 0.00 H new ATOM 0 HB ILE B 356 9.697 1.933 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE B 356 6.728 1.231 -4.007 1.00 0.00 H new ATOM 0 HG13 ILE B 356 7.999 0.273 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE B 356 8.347 2.834 -2.001 1.00 0.00 H new ATOM 0 HG22 ILE B 356 8.842 4.134 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE B 356 7.180 3.500 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE B 356 7.391 -0.635 -2.519 1.00 0.00 H new ATOM 0 HD12 ILE B 356 9.069 -0.041 -2.513 1.00 0.00 H new ATOM 0 HD13 ILE B 356 7.779 0.931 -1.766 1.00 0.00 H new ATOM 1199 N LYS B 357 8.217 5.202 -5.216 1.00 0.00 N ATOM 1200 CA LYS B 357 8.663 6.595 -5.256 1.00 0.00 C ATOM 1201 C LYS B 357 8.807 7.116 -3.833 1.00 0.00 C ATOM 1202 O LYS B 357 9.816 7.720 -3.473 1.00 0.00 O ATOM 1203 CB LYS B 357 7.667 7.450 -6.059 1.00 0.00 C ATOM 1204 CG LYS B 357 8.413 8.612 -6.721 1.00 0.00 C ATOM 1205 CD LYS B 357 8.962 8.162 -8.077 1.00 0.00 C ATOM 1206 CE LYS B 357 10.124 9.068 -8.484 1.00 0.00 C ATOM 1207 NZ LYS B 357 10.375 8.929 -9.947 1.00 0.00 N1+ ATOM 0 H LYS B 357 7.235 5.076 -4.971 1.00 0.00 H new ATOM 0 HA LYS B 357 9.631 6.656 -5.753 1.00 0.00 H new ATOM 0 HB2 LYS B 357 7.175 6.840 -6.817 1.00 0.00 H new ATOM 0 HB3 LYS B 357 6.886 7.832 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS B 357 7.742 9.461 -6.852 1.00 0.00 H new ATOM 0 HG3 LYS B 357 9.228 8.947 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS B 357 9.297 7.126 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS B 357 8.175 8.201 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS B 357 9.893 10.105 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS B 357 11.020 8.802 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 357 11.166 9.545 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 357 10.614 7.941 -10.166 1.00 0.00 H new ATOM 0 HZ3 LYS B 357 9.521 9.204 -10.473 1.00 0.00 H new ATOM 1221 N ARG B 358 7.803 6.825 -3.029 1.00 0.00 N ATOM 1222 CA ARG B 358 7.800 7.195 -1.629 1.00 0.00 C ATOM 1223 C ARG B 358 6.551 6.603 -0.990 1.00 0.00 C ATOM 1224 O ARG B 358 5.474 6.628 -1.567 1.00 0.00 O ATOM 1225 CB ARG B 358 7.830 8.716 -1.461 1.00 0.00 C ATOM 1226 CG ARG B 358 6.832 9.366 -2.408 1.00 0.00 C ATOM 1227 CD ARG B 358 7.058 10.872 -2.443 1.00 0.00 C ATOM 1228 NE ARG B 358 5.780 11.565 -2.569 1.00 0.00 N ATOM 1229 CZ ARG B 358 5.700 12.768 -3.128 1.00 0.00 C ATOM 1230 NH1 ARG B 358 6.777 13.360 -3.566 1.00 0.00 N ATOM 1231 NH2 ARG B 358 4.541 13.361 -3.234 1.00 0.00 N1+ ATOM 0 H ARG B 358 6.966 6.325 -3.329 1.00 0.00 H new ATOM 0 HA ARG B 358 8.692 6.804 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG B 358 7.591 8.981 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG B 358 8.833 9.092 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG B 358 6.942 8.949 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG B 358 5.814 9.149 -2.083 1.00 0.00 H new ATOM 0 HD2 ARG B 358 7.567 11.193 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG B 358 7.706 11.132 -3.280 1.00 0.00 H new ATOM 0 HE ARG B 358 4.932 11.118 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG B 358 7.683 12.899 -3.480 1.00 0.00 H new ATOM 0 HH12 ARG B 358 6.713 14.283 -3.995 1.00 0.00 H new ATOM 0 HH21 ARG B 358 3.699 12.901 -2.888 1.00 0.00 H new ATOM 0 HH22 ARG B 358 4.478 14.284 -3.663 1.00 0.00 H new ATOM 1245 N TRP B 359 6.715 6.032 0.177 1.00 0.00 N ATOM 1246 CA TRP B 359 5.618 5.392 0.871 1.00 0.00 C ATOM 1247 C TRP B 359 5.374 6.073 2.204 1.00 0.00 C ATOM 1248 O TRP B 359 6.123 6.972 2.586 1.00 0.00 O ATOM 1249 CB TRP B 359 5.963 3.917 1.037 1.00 0.00 C ATOM 1250 CG TRP B 359 7.260 3.762 1.760 1.00 0.00 C ATOM 1251 CD1 TRP B 359 7.386 3.349 3.030 1.00 0.00 C ATOM 1252 CD2 TRP B 359 8.605 4.009 1.276 1.00 0.00 C ATOM 1253 NE1 TRP B 359 8.731 3.302 3.358 1.00 0.00 N ATOM 1254 CE2 TRP B 359 9.523 3.726 2.313 1.00 0.00 C ATOM 1255 CE3 TRP B 359 9.105 4.457 0.054 1.00 0.00 C ATOM 1256 CZ2 TRP B 359 10.899 3.881 2.136 1.00 0.00 C ATOM 1257 CZ3 TRP B 359 10.484 4.616 -0.134 1.00 0.00 C ATOM 1258 CH2 TRP B 359 11.381 4.334 0.910 1.00 0.00 C ATOM 0 H TRP B 359 7.606 5.996 0.673 1.00 0.00 H new ATOM 0 HA TRP B 359 4.693 5.478 0.300 1.00 0.00 H new ATOM 0 HB2 TRP B 359 5.170 3.412 1.588 1.00 0.00 H new ATOM 0 HB3 TRP B 359 6.026 3.440 0.059 1.00 0.00 H new ATOM 0 HD1 TRP B 359 6.570 3.094 3.690 1.00 0.00 H new ATOM 0 HE1 TRP B 359 9.091 2.992 4.261 1.00 0.00 H new ATOM 0 HE3 TRP B 359 8.424 4.683 -0.753 1.00 0.00 H new ATOM 0 HZ2 TRP B 359 11.582 3.652 2.941 1.00 0.00 H new ATOM 0 HZ3 TRP B 359 10.860 4.957 -1.087 1.00 0.00 H new ATOM 0 HH2 TRP B 359 12.442 4.468 0.762 1.00 0.00 H new ATOM 1269 N ALA B 360 4.315 5.683 2.903 1.00 0.00 N ATOM 1270 CA ALA B 360 4.017 6.337 4.167 1.00 0.00 C ATOM 1271 C ALA B 360 3.169 5.469 5.068 1.00 0.00 C ATOM 1272 O ALA B 360 1.950 5.390 4.925 1.00 0.00 O ATOM 1273 CB ALA B 360 3.295 7.649 3.907 1.00 0.00 C ATOM 0 H ALA B 360 3.669 4.943 2.628 1.00 0.00 H new ATOM 0 HA ALA B 360 4.965 6.520 4.673 1.00 0.00 H new ATOM 0 HB1 ALA B 360 3.073 8.137 4.856 1.00 0.00 H new ATOM 0 HB2 ALA B 360 3.929 8.300 3.304 1.00 0.00 H new ATOM 0 HB3 ALA B 360 2.365 7.453 3.374 1.00 0.00 H new ATOM 1279 N ALA B 361 3.838 4.837 6.003 1.00 0.00 N ATOM 1280 CA ALA B 361 3.182 3.981 6.961 1.00 0.00 C ATOM 1281 C ALA B 361 2.569 4.803 8.091 1.00 0.00 C ATOM 1282 O ALA B 361 3.104 5.846 8.467 1.00 0.00 O ATOM 1283 CB ALA B 361 4.178 2.992 7.537 1.00 0.00 C ATOM 0 H ALA B 361 4.849 4.902 6.121 1.00 0.00 H new ATOM 0 HA ALA B 361 2.385 3.442 6.449 1.00 0.00 H new ATOM 0 HB1 ALA B 361 3.676 2.349 8.260 1.00 0.00 H new ATOM 0 HB2 ALA B 361 4.591 2.382 6.734 1.00 0.00 H new ATOM 0 HB3 ALA B 361 4.984 3.534 8.032 1.00 0.00 H new ATOM 1289 N SER B 362 1.452 4.324 8.631 1.00 0.00 N ATOM 1290 CA SER B 362 0.785 5.021 9.718 1.00 0.00 C ATOM 1291 C SER B 362 0.362 4.014 10.791 1.00 0.00 C ATOM 1292 O SER B 362 0.505 2.806 10.597 1.00 0.00 O ATOM 1293 CB SER B 362 -0.427 5.768 9.163 1.00 0.00 C ATOM 1294 OG SER B 362 -1.620 5.160 9.641 1.00 0.00 O ATOM 0 H SER B 362 0.995 3.462 8.334 1.00 0.00 H new ATOM 0 HA SER B 362 1.464 5.742 10.174 1.00 0.00 H new ATOM 0 HB2 SER B 362 -0.393 6.814 9.467 1.00 0.00 H new ATOM 0 HB3 SER B 362 -0.410 5.752 8.073 1.00 0.00 H new ATOM 0 HG SER B 362 -2.391 5.534 9.165 1.00 0.00 H new ATOM 1300 N PRO B 363 -0.141 4.471 11.909 1.00 0.00 N ATOM 1301 CA PRO B 363 -0.564 3.569 13.013 1.00 0.00 C ATOM 1302 C PRO B 363 -1.903 2.903 12.725 1.00 0.00 C ATOM 1303 O PRO B 363 -2.335 2.015 13.452 1.00 0.00 O ATOM 1304 CB PRO B 363 -0.679 4.487 14.225 1.00 0.00 C ATOM 1305 CG PRO B 363 -0.841 5.876 13.696 1.00 0.00 C ATOM 1306 CD PRO B 363 -0.364 5.886 12.242 1.00 0.00 C ATOM 0 HA PRO B 363 0.145 2.753 13.157 1.00 0.00 H new ATOM 0 HB2 PRO B 363 -1.531 4.206 14.844 1.00 0.00 H new ATOM 0 HB3 PRO B 363 0.209 4.413 14.853 1.00 0.00 H new ATOM 0 HG2 PRO B 363 -1.884 6.188 13.757 1.00 0.00 H new ATOM 0 HG3 PRO B 363 -0.262 6.581 14.292 1.00 0.00 H new ATOM 0 HD2 PRO B 363 -1.109 6.334 11.585 1.00 0.00 H new ATOM 0 HD3 PRO B 363 0.551 6.468 12.130 1.00 0.00 H new ATOM 1314 N LYS B 364 -2.547 3.354 11.662 1.00 0.00 N ATOM 1315 CA LYS B 364 -3.845 2.821 11.267 1.00 0.00 C ATOM 1316 C LYS B 364 -3.860 2.467 9.794 1.00 0.00 C ATOM 1317 O LYS B 364 -4.686 1.679 9.342 1.00 0.00 O ATOM 1318 CB LYS B 364 -4.931 3.853 11.517 1.00 0.00 C ATOM 1319 CG LYS B 364 -4.735 4.464 12.900 1.00 0.00 C ATOM 1320 CD LYS B 364 -5.943 5.330 13.257 1.00 0.00 C ATOM 1321 CE LYS B 364 -6.976 4.482 14.000 1.00 0.00 C ATOM 1322 NZ LYS B 364 -8.262 5.229 14.089 1.00 0.00 N1+ ATOM 0 H LYS B 364 -2.192 4.091 11.053 1.00 0.00 H new ATOM 0 HA LYS B 364 -4.028 1.925 11.860 1.00 0.00 H new ATOM 0 HB2 LYS B 364 -4.892 4.631 10.754 1.00 0.00 H new ATOM 0 HB3 LYS B 364 -5.914 3.387 11.448 1.00 0.00 H new ATOM 0 HG2 LYS B 364 -4.609 3.675 13.642 1.00 0.00 H new ATOM 0 HG3 LYS B 364 -3.826 5.066 12.917 1.00 0.00 H new ATOM 0 HD2 LYS B 364 -5.631 6.170 13.878 1.00 0.00 H new ATOM 0 HD3 LYS B 364 -6.384 5.749 12.352 1.00 0.00 H new ATOM 0 HE2 LYS B 364 -7.128 3.536 13.480 1.00 0.00 H new ATOM 0 HE3 LYS B 364 -6.613 4.241 14.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 364 -8.964 4.652 14.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 364 -8.111 6.120 14.604 1.00 0.00 H new ATOM 0 HZ3 LYS B 364 -8.610 5.437 13.131 1.00 0.00 H new ATOM 1336 N SER B 365 -2.954 3.063 9.044 1.00 0.00 N ATOM 1337 CA SER B 365 -2.899 2.811 7.618 1.00 0.00 C ATOM 1338 C SER B 365 -1.503 2.952 7.076 1.00 0.00 C ATOM 1339 O SER B 365 -0.595 3.423 7.754 1.00 0.00 O ATOM 1340 CB SER B 365 -3.824 3.766 6.875 1.00 0.00 C ATOM 1341 OG SER B 365 -3.392 5.104 7.086 1.00 0.00 O ATOM 0 H SER B 365 -2.254 3.717 9.393 1.00 0.00 H new ATOM 0 HA SER B 365 -3.224 1.782 7.462 1.00 0.00 H new ATOM 0 HB2 SER B 365 -3.822 3.536 5.810 1.00 0.00 H new ATOM 0 HB3 SER B 365 -4.849 3.644 7.226 1.00 0.00 H new ATOM 0 HG SER B 365 -3.986 5.719 6.607 1.00 0.00 H new ATOM 1347 N PHE B 366 -1.349 2.528 5.838 1.00 0.00 N ATOM 1348 CA PHE B 366 -0.065 2.603 5.184 1.00 0.00 C ATOM 1349 C PHE B 366 -0.283 2.970 3.741 1.00 0.00 C ATOM 1350 O PHE B 366 -1.390 2.820 3.224 1.00 0.00 O ATOM 1351 CB PHE B 366 0.673 1.282 5.362 1.00 0.00 C ATOM 1352 CG PHE B 366 1.444 0.908 4.132 1.00 0.00 C ATOM 1353 CD1 PHE B 366 2.725 1.425 3.927 1.00 0.00 C ATOM 1354 CD2 PHE B 366 0.896 -0.005 3.223 1.00 0.00 C ATOM 1355 CE1 PHE B 366 3.460 1.030 2.804 1.00 0.00 C ATOM 1356 CE2 PHE B 366 1.623 -0.391 2.099 1.00 0.00 C ATOM 1357 CZ PHE B 366 2.906 0.117 1.892 1.00 0.00 C ATOM 0 H PHE B 366 -2.096 2.130 5.269 1.00 0.00 H new ATOM 0 HA PHE B 366 0.564 3.374 5.628 1.00 0.00 H new ATOM 0 HB2 PHE B 366 1.354 1.357 6.210 1.00 0.00 H new ATOM 0 HB3 PHE B 366 -0.043 0.494 5.597 1.00 0.00 H new ATOM 0 HD1 PHE B 366 3.146 2.126 4.632 1.00 0.00 H new ATOM 0 HD2 PHE B 366 -0.091 -0.410 3.393 1.00 0.00 H new ATOM 0 HE1 PHE B 366 4.451 1.426 2.639 1.00 0.00 H new ATOM 0 HE2 PHE B 366 1.194 -1.082 1.389 1.00 0.00 H new ATOM 0 HZ PHE B 366 3.475 -0.193 1.028 1.00 0.00 H new ATOM 1367 N THR B 367 0.730 3.539 3.115 1.00 0.00 N ATOM 1368 CA THR B 367 0.541 4.013 1.760 1.00 0.00 C ATOM 1369 C THR B 367 1.794 3.899 0.916 1.00 0.00 C ATOM 1370 O THR B 367 2.910 3.849 1.429 1.00 0.00 O ATOM 1371 CB THR B 367 0.103 5.470 1.826 1.00 0.00 C ATOM 1372 OG1 THR B 367 -1.186 5.551 2.418 1.00 0.00 O ATOM 1373 CG2 THR B 367 0.067 6.059 0.425 1.00 0.00 C ATOM 0 H THR B 367 1.661 3.681 3.507 1.00 0.00 H new ATOM 0 HA THR B 367 -0.215 3.388 1.284 1.00 0.00 H new ATOM 0 HB THR B 367 0.812 6.035 2.431 1.00 0.00 H new ATOM 0 HG1 THR B 367 -1.468 6.489 2.461 1.00 0.00 H new ATOM 0 HG21 THR B 367 -0.247 7.102 0.477 1.00 0.00 H new ATOM 0 HG22 THR B 367 1.060 6.001 -0.020 1.00 0.00 H new ATOM 0 HG23 THR B 367 -0.638 5.498 -0.188 1.00 0.00 H new ATOM 1381 N LEU B 368 1.580 3.848 -0.393 1.00 0.00 N ATOM 1382 CA LEU B 368 2.663 3.725 -1.343 1.00 0.00 C ATOM 1383 C LEU B 368 2.561 4.759 -2.436 1.00 0.00 C ATOM 1384 O LEU B 368 1.470 4.995 -2.930 1.00 0.00 O ATOM 1385 CB LEU B 368 2.552 2.374 -2.007 1.00 0.00 C ATOM 1386 CG LEU B 368 3.362 1.384 -1.221 1.00 0.00 C ATOM 1387 CD1 LEU B 368 2.830 -0.025 -1.483 1.00 0.00 C ATOM 1388 CD2 LEU B 368 4.837 1.494 -1.618 1.00 0.00 C ATOM 0 H LEU B 368 0.654 3.891 -0.818 1.00 0.00 H new ATOM 0 HA LEU B 368 3.603 3.856 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU B 368 1.509 2.059 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU B 368 2.913 2.427 -3.034 1.00 0.00 H new ATOM 0 HG LEU B 368 3.278 1.597 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU B 368 3.416 -0.747 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU B 368 1.786 -0.083 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU B 368 2.909 -0.252 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU B 368 5.422 0.774 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU B 368 4.944 1.284 -2.682 1.00 0.00 H new ATOM 0 HD23 LEU B 368 5.196 2.502 -1.409 1.00 0.00 H new ATOM 1400 N ASP B 369 3.697 5.318 -2.872 1.00 0.00 N ATOM 1401 CA ASP B 369 3.651 6.255 -3.979 1.00 0.00 C ATOM 1402 C ASP B 369 4.440 5.731 -5.156 1.00 0.00 C ATOM 1403 O ASP B 369 5.651 5.931 -5.250 1.00 0.00 O ATOM 1404 CB ASP B 369 4.229 7.612 -3.613 1.00 0.00 C ATOM 1405 CG ASP B 369 3.814 8.649 -4.652 1.00 0.00 C ATOM 1406 OD1 ASP B 369 3.812 8.314 -5.827 1.00 0.00 O1- ATOM 1407 OD2 ASP B 369 3.504 9.760 -4.260 1.00 0.00 O ATOM 0 H ASP B 369 4.624 5.141 -2.485 1.00 0.00 H new ATOM 0 HA ASP B 369 2.597 6.367 -4.232 1.00 0.00 H new ATOM 0 HB2 ASP B 369 3.878 7.913 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP B 369 5.316 7.552 -3.560 1.00 0.00 H new ATOM 1412 N PHE B 370 3.734 5.101 -6.063 1.00 0.00 N ATOM 1413 CA PHE B 370 4.366 4.604 -7.287 1.00 0.00 C ATOM 1414 C PHE B 370 3.515 4.887 -8.508 1.00 0.00 C ATOM 1415 O PHE B 370 2.640 4.098 -8.864 1.00 0.00 O ATOM 1416 CB PHE B 370 4.614 3.108 -7.245 1.00 0.00 C ATOM 1417 CG PHE B 370 3.321 2.384 -6.953 1.00 0.00 C ATOM 1418 CD1 PHE B 370 2.770 2.466 -5.683 1.00 0.00 C ATOM 1419 CD2 PHE B 370 2.688 1.625 -7.943 1.00 0.00 C ATOM 1420 CE1 PHE B 370 1.584 1.785 -5.381 1.00 0.00 C ATOM 1421 CE2 PHE B 370 1.498 0.946 -7.653 1.00 0.00 C ATOM 1422 CZ PHE B 370 0.946 1.027 -6.370 1.00 0.00 C ATOM 0 H PHE B 370 2.734 4.916 -5.990 1.00 0.00 H new ATOM 0 HA PHE B 370 5.318 5.131 -7.353 1.00 0.00 H new ATOM 0 HB2 PHE B 370 5.023 2.771 -8.197 1.00 0.00 H new ATOM 0 HB3 PHE B 370 5.354 2.874 -6.479 1.00 0.00 H new ATOM 0 HD1 PHE B 370 3.258 3.058 -4.923 1.00 0.00 H new ATOM 0 HD2 PHE B 370 3.117 1.563 -8.932 1.00 0.00 H new ATOM 0 HE1 PHE B 370 1.163 1.844 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE B 370 1.008 0.362 -8.418 1.00 0.00 H new ATOM 0 HZ PHE B 370 0.028 0.505 -6.143 1.00 0.00 H new ATOM 1432 N GLY B 371 3.800 5.998 -9.164 1.00 0.00 N ATOM 1433 CA GLY B 371 3.073 6.360 -10.376 1.00 0.00 C ATOM 1434 C GLY B 371 2.645 7.810 -10.326 1.00 0.00 C ATOM 1435 O GLY B 371 1.806 8.252 -11.100 1.00 0.00 O ATOM 0 H GLY B 371 4.522 6.662 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY B 371 3.703 6.191 -11.249 1.00 0.00 H new ATOM 0 HA3 GLY B 371 2.197 5.720 -10.486 1.00 0.00 H new ATOM 1439 N ASP B 372 3.211 8.525 -9.374 1.00 0.00 N ATOM 1440 CA ASP B 372 2.883 9.931 -9.175 1.00 0.00 C ATOM 1441 C ASP B 372 2.774 10.677 -10.491 1.00 0.00 C ATOM 1442 O ASP B 372 2.203 11.768 -10.545 1.00 0.00 O ATOM 1443 CB ASP B 372 3.955 10.587 -8.308 1.00 0.00 C ATOM 1444 CG ASP B 372 3.435 11.894 -7.721 1.00 0.00 C ATOM 1445 OD1 ASP B 372 2.939 12.707 -8.484 1.00 0.00 O ATOM 1446 OD2 ASP B 372 3.540 12.063 -6.518 1.00 0.00 O1- ATOM 0 H ASP B 372 3.904 8.158 -8.721 1.00 0.00 H new ATOM 0 HA ASP B 372 1.913 9.980 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP B 372 4.247 9.910 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP B 372 4.848 10.778 -8.904 1.00 0.00 H new ATOM 1451 N TYR B 373 3.289 10.084 -11.551 1.00 0.00 N ATOM 1452 CA TYR B 373 3.196 10.713 -12.845 1.00 0.00 C ATOM 1453 C TYR B 373 1.741 11.019 -13.113 1.00 0.00 C ATOM 1454 O TYR B 373 1.385 12.076 -13.633 1.00 0.00 O ATOM 1455 CB TYR B 373 3.754 9.772 -13.899 1.00 0.00 C ATOM 1456 CG TYR B 373 4.854 8.953 -13.272 1.00 0.00 C ATOM 1457 CD1 TYR B 373 5.987 9.592 -12.766 1.00 0.00 C ATOM 1458 CD2 TYR B 373 4.747 7.563 -13.206 1.00 0.00 C ATOM 1459 CE1 TYR B 373 7.018 8.842 -12.189 1.00 0.00 C ATOM 1460 CE2 TYR B 373 5.781 6.807 -12.633 1.00 0.00 C ATOM 1461 CZ TYR B 373 6.917 7.448 -12.126 1.00 0.00 C ATOM 1462 OH TYR B 373 7.937 6.708 -11.564 1.00 0.00 O ATOM 0 H TYR B 373 3.767 9.183 -11.539 1.00 0.00 H new ATOM 0 HA TYR B 373 3.772 11.638 -12.874 1.00 0.00 H new ATOM 0 HB2 TYR B 373 2.967 9.121 -14.281 1.00 0.00 H new ATOM 0 HB3 TYR B 373 4.139 10.338 -14.747 1.00 0.00 H new ATOM 0 HD1 TYR B 373 6.068 10.668 -12.820 1.00 0.00 H new ATOM 0 HD2 TYR B 373 3.869 7.070 -13.596 1.00 0.00 H new ATOM 0 HE1 TYR B 373 7.891 9.339 -11.793 1.00 0.00 H new ATOM 0 HE2 TYR B 373 5.700 5.731 -12.583 1.00 0.00 H new ATOM 0 HH TYR B 373 7.708 5.756 -11.599 1.00 0.00 H new ATOM 1472 N GLN B 374 0.913 10.094 -12.679 1.00 0.00 N ATOM 1473 CA GLN B 374 -0.520 10.241 -12.780 1.00 0.00 C ATOM 1474 C GLN B 374 -1.093 10.051 -11.390 1.00 0.00 C ATOM 1475 O GLN B 374 -1.124 10.984 -10.586 1.00 0.00 O ATOM 1476 CB GLN B 374 -1.095 9.192 -13.730 1.00 0.00 C ATOM 1477 CG GLN B 374 -0.273 7.905 -13.636 1.00 0.00 C ATOM 1478 CD GLN B 374 -1.160 6.701 -13.939 1.00 0.00 C ATOM 1479 OE1 GLN B 374 -1.548 6.488 -15.087 1.00 0.00 O ATOM 1480 NE2 GLN B 374 -1.510 5.899 -12.970 1.00 0.00 N ATOM 0 H GLN B 374 1.215 9.221 -12.247 1.00 0.00 H new ATOM 0 HA GLN B 374 -0.776 11.225 -13.173 1.00 0.00 H new ATOM 0 HB2 GLN B 374 -2.136 8.990 -13.477 1.00 0.00 H new ATOM 0 HB3 GLN B 374 -1.083 9.568 -14.753 1.00 0.00 H new ATOM 0 HG2 GLN B 374 0.559 7.942 -14.340 1.00 0.00 H new ATOM 0 HG3 GLN B 374 0.157 7.810 -12.639 1.00 0.00 H new ATOM 0 HE21 GLN B 374 -1.187 6.077 -12.019 1.00 0.00 H new ATOM 0 HE22 GLN B 374 -2.106 5.094 -13.164 1.00 0.00 H new ATOM 1489 N ASP B 375 -1.453 8.818 -11.090 1.00 0.00 N ATOM 1490 CA ASP B 375 -1.906 8.477 -9.769 1.00 0.00 C ATOM 1491 C ASP B 375 -1.131 7.263 -9.321 1.00 0.00 C ATOM 1492 O ASP B 375 -1.467 6.126 -9.660 1.00 0.00 O ATOM 1493 CB ASP B 375 -3.398 8.177 -9.777 1.00 0.00 C ATOM 1494 CG ASP B 375 -3.981 8.387 -8.385 1.00 0.00 C ATOM 1495 OD1 ASP B 375 -3.796 7.516 -7.549 1.00 0.00 O1- ATOM 1496 OD2 ASP B 375 -4.604 9.414 -8.173 1.00 0.00 O ATOM 0 H ASP B 375 -1.438 8.040 -11.749 1.00 0.00 H new ATOM 0 HA ASP B 375 -1.741 9.310 -9.086 1.00 0.00 H new ATOM 0 HB2 ASP B 375 -3.903 8.825 -10.493 1.00 0.00 H new ATOM 0 HB3 ASP B 375 -3.569 7.150 -10.100 1.00 0.00 H new ATOM 1501 N GLY B 376 -0.080 7.520 -8.580 1.00 0.00 N ATOM 1502 CA GLY B 376 0.779 6.453 -8.094 1.00 0.00 C ATOM 1503 C GLY B 376 0.482 6.088 -6.653 1.00 0.00 C ATOM 1504 O GLY B 376 1.126 5.210 -6.082 1.00 0.00 O ATOM 0 H GLY B 376 0.206 8.457 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY B 376 0.652 5.572 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY B 376 1.821 6.760 -8.182 1.00 0.00 H new ATOM 1508 N TYR B 377 -0.429 6.814 -6.045 1.00 0.00 N ATOM 1509 CA TYR B 377 -0.722 6.608 -4.637 1.00 0.00 C ATOM 1510 C TYR B 377 -1.744 5.526 -4.369 1.00 0.00 C ATOM 1511 O TYR B 377 -2.949 5.731 -4.534 1.00 0.00 O ATOM 1512 CB TYR B 377 -1.189 7.912 -4.023 1.00 0.00 C ATOM 1513 CG TYR B 377 -0.631 9.047 -4.842 1.00 0.00 C ATOM 1514 CD1 TYR B 377 0.699 9.000 -5.271 1.00 0.00 C ATOM 1515 CD2 TYR B 377 -1.443 10.128 -5.189 1.00 0.00 C ATOM 1516 CE1 TYR B 377 1.219 10.037 -6.046 1.00 0.00 C ATOM 1517 CE2 TYR B 377 -0.924 11.170 -5.963 1.00 0.00 C ATOM 1518 CZ TYR B 377 0.407 11.125 -6.393 1.00 0.00 C ATOM 1519 OH TYR B 377 0.914 12.153 -7.159 1.00 0.00 O ATOM 0 H TYR B 377 -0.978 7.547 -6.495 1.00 0.00 H new ATOM 0 HA TYR B 377 0.206 6.267 -4.178 1.00 0.00 H new ATOM 0 HB2 TYR B 377 -2.278 7.955 -4.006 1.00 0.00 H new ATOM 0 HB3 TYR B 377 -0.851 7.988 -2.989 1.00 0.00 H new ATOM 0 HD1 TYR B 377 1.324 8.161 -5.002 1.00 0.00 H new ATOM 0 HD2 TYR B 377 -2.471 10.159 -4.860 1.00 0.00 H new ATOM 0 HE1 TYR B 377 2.246 10.001 -6.378 1.00 0.00 H new ATOM 0 HE2 TYR B 377 -1.550 12.009 -6.229 1.00 0.00 H new ATOM 0 HH TYR B 377 0.216 12.825 -7.307 1.00 0.00 H new ATOM 1529 N TYR B 378 -1.247 4.394 -3.878 1.00 0.00 N ATOM 1530 CA TYR B 378 -2.130 3.294 -3.494 1.00 0.00 C ATOM 1531 C TYR B 378 -1.973 3.043 -2.010 1.00 0.00 C ATOM 1532 O TYR B 378 -0.857 2.885 -1.511 1.00 0.00 O ATOM 1533 CB TYR B 378 -1.825 2.027 -4.274 1.00 0.00 C ATOM 1534 CG TYR B 378 -3.043 1.649 -5.074 1.00 0.00 C ATOM 1535 CD1 TYR B 378 -4.107 0.984 -4.457 1.00 0.00 C ATOM 1536 CD2 TYR B 378 -3.108 1.969 -6.433 1.00 0.00 C ATOM 1537 CE1 TYR B 378 -5.241 0.637 -5.202 1.00 0.00 C ATOM 1538 CE2 TYR B 378 -4.242 1.622 -7.180 1.00 0.00 C ATOM 1539 CZ TYR B 378 -5.308 0.955 -6.564 1.00 0.00 C ATOM 1540 OH TYR B 378 -6.425 0.613 -7.297 1.00 0.00 O ATOM 0 H TYR B 378 -0.253 4.214 -3.738 1.00 0.00 H new ATOM 0 HA TYR B 378 -3.158 3.574 -3.725 1.00 0.00 H new ATOM 0 HB2 TYR B 378 -0.973 2.186 -4.935 1.00 0.00 H new ATOM 0 HB3 TYR B 378 -1.554 1.220 -3.593 1.00 0.00 H new ATOM 0 HD1 TYR B 378 -4.054 0.738 -3.407 1.00 0.00 H new ATOM 0 HD2 TYR B 378 -2.285 2.483 -6.907 1.00 0.00 H new ATOM 0 HE1 TYR B 378 -6.064 0.124 -4.726 1.00 0.00 H new ATOM 0 HE2 TYR B 378 -4.294 1.869 -8.230 1.00 0.00 H new ATOM 0 HH TYR B 378 -6.310 0.907 -8.225 1.00 0.00 H new ATOM 1550 N SER B 379 -3.089 3.059 -1.300 1.00 0.00 N ATOM 1551 CA SER B 379 -3.051 2.883 0.136 1.00 0.00 C ATOM 1552 C SER B 379 -4.155 1.992 0.646 1.00 0.00 C ATOM 1553 O SER B 379 -5.156 1.751 -0.030 1.00 0.00 O ATOM 1554 CB SER B 379 -3.178 4.229 0.821 1.00 0.00 C ATOM 1555 OG SER B 379 -3.133 4.034 2.223 1.00 0.00 O ATOM 0 H SER B 379 -4.021 3.191 -1.692 1.00 0.00 H new ATOM 0 HA SER B 379 -2.097 2.409 0.365 1.00 0.00 H new ATOM 0 HB2 SER B 379 -2.371 4.890 0.506 1.00 0.00 H new ATOM 0 HB3 SER B 379 -4.114 4.710 0.537 1.00 0.00 H new ATOM 0 HG SER B 379 -2.235 4.246 2.554 1.00 0.00 H new ATOM 1561 N VAL B 380 -3.960 1.532 1.871 1.00 0.00 N ATOM 1562 CA VAL B 380 -4.927 0.686 2.518 1.00 0.00 C ATOM 1563 C VAL B 380 -4.891 0.904 4.029 1.00 0.00 C ATOM 1564 O VAL B 380 -4.017 1.607 4.533 1.00 0.00 O ATOM 1565 CB VAL B 380 -4.585 -0.750 2.209 1.00 0.00 C ATOM 1566 CG1 VAL B 380 -5.122 -1.138 0.838 1.00 0.00 C ATOM 1567 CG2 VAL B 380 -3.067 -0.899 2.226 1.00 0.00 C ATOM 0 H VAL B 380 -3.134 1.736 2.433 1.00 0.00 H new ATOM 0 HA VAL B 380 -5.927 0.926 2.155 1.00 0.00 H new ATOM 0 HB VAL B 380 -5.038 -1.403 2.955 1.00 0.00 H new ATOM 0 HG11 VAL B 380 -4.868 -2.177 0.628 1.00 0.00 H new ATOM 0 HG12 VAL B 380 -6.205 -1.020 0.825 1.00 0.00 H new ATOM 0 HG13 VAL B 380 -4.678 -0.495 0.078 1.00 0.00 H new ATOM 0 HG21 VAL B 380 -2.800 -1.932 2.004 1.00 0.00 H new ATOM 0 HG22 VAL B 380 -2.628 -0.242 1.475 1.00 0.00 H new ATOM 0 HG23 VAL B 380 -2.686 -0.629 3.211 1.00 0.00 H new ATOM 1577 N GLN B 381 -5.833 0.296 4.757 1.00 0.00 N ATOM 1578 CA GLN B 381 -5.857 0.457 6.207 1.00 0.00 C ATOM 1579 C GLN B 381 -5.230 -0.729 6.898 1.00 0.00 C ATOM 1580 O GLN B 381 -5.615 -1.876 6.690 1.00 0.00 O ATOM 1581 CB GLN B 381 -7.278 0.617 6.696 1.00 0.00 C ATOM 1582 CG GLN B 381 -7.394 1.828 7.618 1.00 0.00 C ATOM 1583 CD GLN B 381 -8.861 2.100 7.935 1.00 0.00 C ATOM 1584 OE1 GLN B 381 -9.472 1.380 8.724 1.00 0.00 O ATOM 1585 NE2 GLN B 381 -9.467 3.103 7.360 1.00 0.00 N ATOM 0 H GLN B 381 -6.570 -0.297 4.375 1.00 0.00 H new ATOM 0 HA GLN B 381 -5.282 1.351 6.447 1.00 0.00 H new ATOM 0 HB2 GLN B 381 -7.950 0.734 5.846 1.00 0.00 H new ATOM 0 HB3 GLN B 381 -7.589 -0.283 7.227 1.00 0.00 H new ATOM 0 HG2 GLN B 381 -6.841 1.648 8.540 1.00 0.00 H new ATOM 0 HG3 GLN B 381 -6.947 2.702 7.143 1.00 0.00 H new ATOM 0 HE21 GLN B 381 -8.959 3.699 6.706 1.00 0.00 H new ATOM 0 HE22 GLN B 381 -10.448 3.291 7.564 1.00 0.00 H new ATOM 1594 N THR B 382 -4.272 -0.414 7.729 1.00 0.00 N ATOM 1595 CA THR B 382 -3.561 -1.415 8.501 1.00 0.00 C ATOM 1596 C THR B 382 -2.999 -0.789 9.764 1.00 0.00 C ATOM 1597 O THR B 382 -2.437 0.304 9.718 1.00 0.00 O ATOM 1598 CB THR B 382 -2.437 -2.023 7.675 1.00 0.00 C ATOM 1599 OG1 THR B 382 -1.443 -2.543 8.547 1.00 0.00 O ATOM 1600 CG2 THR B 382 -1.819 -0.956 6.776 1.00 0.00 C ATOM 0 H THR B 382 -3.958 0.542 7.894 1.00 0.00 H new ATOM 0 HA THR B 382 -4.258 -2.207 8.775 1.00 0.00 H new ATOM 0 HB THR B 382 -2.837 -2.825 7.054 1.00 0.00 H new ATOM 0 HG1 THR B 382 -0.718 -2.937 8.018 1.00 0.00 H new ATOM 0 HG21 THR B 382 -1.015 -1.397 6.187 1.00 0.00 H new ATOM 0 HG22 THR B 382 -2.582 -0.557 6.107 1.00 0.00 H new ATOM 0 HG23 THR B 382 -1.418 -0.150 7.391 1.00 0.00 H new ATOM 1608 N THR B 383 -3.132 -1.471 10.885 1.00 0.00 N ATOM 1609 CA THR B 383 -2.612 -0.924 12.124 1.00 0.00 C ATOM 1610 C THR B 383 -1.154 -1.285 12.312 1.00 0.00 C ATOM 1611 O THR B 383 -0.582 -1.105 13.388 1.00 0.00 O ATOM 1612 CB THR B 383 -3.465 -1.356 13.303 1.00 0.00 C ATOM 1613 OG1 THR B 383 -4.050 -2.625 13.037 1.00 0.00 O ATOM 1614 CG2 THR B 383 -4.553 -0.302 13.479 1.00 0.00 C ATOM 0 H THR B 383 -3.584 -2.382 10.965 1.00 0.00 H new ATOM 0 HA THR B 383 -2.664 0.163 12.067 1.00 0.00 H new ATOM 0 HB THR B 383 -2.864 -1.445 14.208 1.00 0.00 H new ATOM 0 HG1 THR B 383 -4.598 -2.899 13.802 1.00 0.00 H new ATOM 0 HG21 THR B 383 -5.191 -0.575 14.319 1.00 0.00 H new ATOM 0 HG22 THR B 383 -4.093 0.667 13.672 1.00 0.00 H new ATOM 0 HG23 THR B 383 -5.154 -0.244 12.571 1.00 0.00 H new ATOM 1622 N GLU B 384 -0.536 -1.703 11.218 1.00 0.00 N ATOM 1623 CA GLU B 384 0.892 -1.980 11.220 1.00 0.00 C ATOM 1624 C GLU B 384 1.477 -1.569 9.876 1.00 0.00 C ATOM 1625 O GLU B 384 1.678 -2.384 8.976 1.00 0.00 O ATOM 1626 CB GLU B 384 1.174 -3.469 11.478 1.00 0.00 C ATOM 1627 CG GLU B 384 -0.107 -4.173 11.933 1.00 0.00 C ATOM 1628 CD GLU B 384 0.163 -5.657 12.159 1.00 0.00 C ATOM 1629 OE1 GLU B 384 1.323 -6.021 12.252 1.00 0.00 O1- ATOM 1630 OE2 GLU B 384 -0.797 -6.406 12.236 1.00 0.00 O ATOM 0 H GLU B 384 -0.998 -1.857 10.322 1.00 0.00 H new ATOM 0 HA GLU B 384 1.357 -1.410 12.024 1.00 0.00 H new ATOM 0 HB2 GLU B 384 1.554 -3.938 10.571 1.00 0.00 H new ATOM 0 HB3 GLU B 384 1.947 -3.575 12.239 1.00 0.00 H new ATOM 0 HG2 GLU B 384 -0.474 -3.718 12.853 1.00 0.00 H new ATOM 0 HG3 GLU B 384 -0.887 -4.047 11.182 1.00 0.00 H new ATOM 1637 N GLY B 385 1.780 -0.291 9.767 1.00 0.00 N ATOM 1638 CA GLY B 385 2.382 0.243 8.562 1.00 0.00 C ATOM 1639 C GLY B 385 3.891 0.088 8.617 1.00 0.00 C ATOM 1640 O GLY B 385 4.504 -0.518 7.746 1.00 0.00 O ATOM 0 H GLY B 385 1.619 0.399 10.501 1.00 0.00 H new ATOM 0 HA2 GLY B 385 1.987 -0.276 7.689 1.00 0.00 H new ATOM 0 HA3 GLY B 385 2.121 1.296 8.452 1.00 0.00 H new ATOM 1644 N GLU B 386 4.474 0.669 9.655 1.00 0.00 N ATOM 1645 CA GLU B 386 5.917 0.639 9.855 1.00 0.00 C ATOM 1646 C GLU B 386 6.465 -0.743 9.618 1.00 0.00 C ATOM 1647 O GLU B 386 7.639 -0.917 9.354 1.00 0.00 O ATOM 1648 CB GLU B 386 6.242 1.070 11.276 1.00 0.00 C ATOM 1649 CG GLU B 386 5.338 0.320 12.252 1.00 0.00 C ATOM 1650 CD GLU B 386 5.692 0.701 13.686 1.00 0.00 C ATOM 1651 OE1 GLU B 386 5.298 1.777 14.105 1.00 0.00 O ATOM 1652 OE2 GLU B 386 6.357 -0.083 14.341 1.00 0.00 O1- ATOM 0 H GLU B 386 3.963 1.173 10.380 1.00 0.00 H new ATOM 0 HA GLU B 386 6.377 1.323 9.142 1.00 0.00 H new ATOM 0 HB2 GLU B 386 7.289 0.863 11.500 1.00 0.00 H new ATOM 0 HB3 GLU B 386 6.099 2.145 11.383 1.00 0.00 H new ATOM 0 HG2 GLU B 386 4.294 0.559 12.050 1.00 0.00 H new ATOM 0 HG3 GLU B 386 5.452 -0.755 12.114 1.00 0.00 H new ATOM 1659 N GLN B 387 5.603 -1.719 9.699 1.00 0.00 N ATOM 1660 CA GLN B 387 6.022 -3.094 9.477 1.00 0.00 C ATOM 1661 C GLN B 387 6.060 -3.363 7.993 1.00 0.00 C ATOM 1662 O GLN B 387 6.966 -4.015 7.484 1.00 0.00 O ATOM 1663 CB GLN B 387 5.060 -4.065 10.160 1.00 0.00 C ATOM 1664 CG GLN B 387 5.216 -3.964 11.678 1.00 0.00 C ATOM 1665 CD GLN B 387 5.965 -5.184 12.202 1.00 0.00 C ATOM 1666 OE1 GLN B 387 5.616 -6.317 11.871 1.00 0.00 O ATOM 1667 NE2 GLN B 387 6.982 -5.021 13.003 1.00 0.00 N ATOM 0 H GLN B 387 4.613 -1.600 9.914 1.00 0.00 H new ATOM 0 HA GLN B 387 7.014 -3.240 9.904 1.00 0.00 H new ATOM 0 HB2 GLN B 387 4.033 -3.836 9.874 1.00 0.00 H new ATOM 0 HB3 GLN B 387 5.263 -5.084 9.831 1.00 0.00 H new ATOM 0 HG2 GLN B 387 5.757 -3.054 11.937 1.00 0.00 H new ATOM 0 HG3 GLN B 387 4.236 -3.897 12.150 1.00 0.00 H new ATOM 0 HE21 GLN B 387 7.270 -4.082 13.277 1.00 0.00 H new ATOM 0 HE22 GLN B 387 7.489 -5.833 13.356 1.00 0.00 H new ATOM 1676 N ILE B 388 5.079 -2.817 7.312 1.00 0.00 N ATOM 1677 CA ILE B 388 4.989 -2.942 5.874 1.00 0.00 C ATOM 1678 C ILE B 388 5.989 -2.002 5.216 1.00 0.00 C ATOM 1679 O ILE B 388 6.638 -2.338 4.227 1.00 0.00 O ATOM 1680 CB ILE B 388 3.592 -2.526 5.439 1.00 0.00 C ATOM 1681 CG1 ILE B 388 2.579 -3.602 5.805 1.00 0.00 C ATOM 1682 CG2 ILE B 388 3.568 -2.305 3.931 1.00 0.00 C ATOM 1683 CD1 ILE B 388 1.181 -2.985 5.796 1.00 0.00 C ATOM 0 H ILE B 388 4.325 -2.277 7.735 1.00 0.00 H new ATOM 0 HA ILE B 388 5.199 -3.971 5.583 1.00 0.00 H new ATOM 0 HB ILE B 388 3.329 -1.601 5.952 1.00 0.00 H new ATOM 0 HG12 ILE B 388 2.632 -4.427 5.095 1.00 0.00 H new ATOM 0 HG13 ILE B 388 2.804 -4.013 6.789 1.00 0.00 H new ATOM 0 HG21 ILE B 388 2.566 -2.007 3.623 1.00 0.00 H new ATOM 0 HG22 ILE B 388 4.277 -1.520 3.667 1.00 0.00 H new ATOM 0 HG23 ILE B 388 3.844 -3.229 3.423 1.00 0.00 H new ATOM 0 HD11 ILE B 388 0.446 -3.746 6.057 1.00 0.00 H new ATOM 0 HD12 ILE B 388 1.137 -2.174 6.523 1.00 0.00 H new ATOM 0 HD13 ILE B 388 0.962 -2.594 4.802 1.00 0.00 H new ATOM 1695 N ALA B 389 6.053 -0.801 5.767 1.00 0.00 N ATOM 1696 CA ALA B 389 6.909 0.257 5.246 1.00 0.00 C ATOM 1697 C ALA B 389 8.386 0.038 5.529 1.00 0.00 C ATOM 1698 O ALA B 389 9.216 0.293 4.666 1.00 0.00 O ATOM 1699 CB ALA B 389 6.492 1.576 5.866 1.00 0.00 C ATOM 0 H ALA B 389 5.513 -0.530 6.589 1.00 0.00 H new ATOM 0 HA ALA B 389 6.785 0.257 4.163 1.00 0.00 H new ATOM 0 HB1 ALA B 389 7.127 2.375 5.483 1.00 0.00 H new ATOM 0 HB2 ALA B 389 5.453 1.785 5.612 1.00 0.00 H new ATOM 0 HB3 ALA B 389 6.596 1.518 6.949 1.00 0.00 H new ATOM 1705 N GLN B 390 8.728 -0.398 6.733 1.00 0.00 N ATOM 1706 CA GLN B 390 10.146 -0.567 7.061 1.00 0.00 C ATOM 1707 C GLN B 390 10.781 -1.622 6.190 1.00 0.00 C ATOM 1708 O GLN B 390 11.952 -1.546 5.820 1.00 0.00 O ATOM 1709 CB GLN B 390 10.322 -0.980 8.513 1.00 0.00 C ATOM 1710 CG GLN B 390 9.787 -2.400 8.716 1.00 0.00 C ATOM 1711 CD GLN B 390 9.613 -2.684 10.206 1.00 0.00 C ATOM 1712 OE1 GLN B 390 9.193 -1.737 10.999 1.00 0.00 O flip ATOM 1713 NE2 GLN B 390 9.867 -3.801 10.659 1.00 0.00 N flip ATOM 0 H GLN B 390 8.074 -0.635 7.479 1.00 0.00 H new ATOM 0 HA GLN B 390 10.630 0.394 6.888 1.00 0.00 H new ATOM 0 HB2 GLN B 390 11.376 -0.936 8.788 1.00 0.00 H new ATOM 0 HB3 GLN B 390 9.793 -0.285 9.165 1.00 0.00 H new ATOM 0 HG2 GLN B 390 8.833 -2.515 8.202 1.00 0.00 H new ATOM 0 HG3 GLN B 390 10.475 -3.123 8.277 1.00 0.00 H new ATOM 0 HE21 GLN B 390 10.195 -4.541 10.038 1.00 0.00 H new ATOM 0 HE22 GLN B 390 9.749 -3.986 11.655 1.00 0.00 H new ATOM 1722 N LEU B 391 9.986 -2.607 5.894 1.00 0.00 N ATOM 1723 CA LEU B 391 10.415 -3.718 5.082 1.00 0.00 C ATOM 1724 C LEU B 391 10.538 -3.254 3.644 1.00 0.00 C ATOM 1725 O LEU B 391 11.598 -3.363 3.031 1.00 0.00 O ATOM 1726 CB LEU B 391 9.394 -4.833 5.300 1.00 0.00 C ATOM 1727 CG LEU B 391 8.582 -5.177 4.045 1.00 0.00 C ATOM 1728 CD1 LEU B 391 9.453 -5.925 3.025 1.00 0.00 C ATOM 1729 CD2 LEU B 391 7.416 -6.051 4.481 1.00 0.00 C ATOM 0 H LEU B 391 9.017 -2.667 6.208 1.00 0.00 H new ATOM 0 HA LEU B 391 11.398 -4.103 5.351 1.00 0.00 H new ATOM 0 HB2 LEU B 391 9.914 -5.728 5.643 1.00 0.00 H new ATOM 0 HB3 LEU B 391 8.710 -4.537 6.095 1.00 0.00 H new ATOM 0 HG LEU B 391 8.223 -4.266 3.566 1.00 0.00 H new ATOM 0 HD11 LEU B 391 8.859 -6.160 2.142 1.00 0.00 H new ATOM 0 HD12 LEU B 391 10.297 -5.298 2.738 1.00 0.00 H new ATOM 0 HD13 LEU B 391 9.822 -6.849 3.470 1.00 0.00 H new ATOM 0 HD21 LEU B 391 6.815 -6.316 3.611 1.00 0.00 H new ATOM 0 HD22 LEU B 391 7.797 -6.959 4.949 1.00 0.00 H new ATOM 0 HD23 LEU B 391 6.800 -5.506 5.196 1.00 0.00 H new ATOM 1741 N ILE B 392 9.470 -2.668 3.138 1.00 0.00 N ATOM 1742 CA ILE B 392 9.474 -2.111 1.820 1.00 0.00 C ATOM 1743 C ILE B 392 10.702 -1.260 1.744 1.00 0.00 C ATOM 1744 O ILE B 392 11.581 -1.463 0.918 1.00 0.00 O ATOM 1745 CB ILE B 392 8.229 -1.242 1.672 1.00 0.00 C ATOM 1746 CG1 ILE B 392 7.100 -2.076 1.068 1.00 0.00 C ATOM 1747 CG2 ILE B 392 8.518 -0.019 0.790 1.00 0.00 C ATOM 1748 CD1 ILE B 392 5.798 -1.287 1.122 1.00 0.00 C ATOM 0 H ILE B 392 8.584 -2.570 3.635 1.00 0.00 H new ATOM 0 HA ILE B 392 9.472 -2.869 1.037 1.00 0.00 H new ATOM 0 HB ILE B 392 7.929 -0.882 2.656 1.00 0.00 H new ATOM 0 HG12 ILE B 392 7.337 -2.335 0.036 1.00 0.00 H new ATOM 0 HG13 ILE B 392 6.993 -3.012 1.615 1.00 0.00 H new ATOM 0 HG21 ILE B 392 7.616 0.585 0.699 1.00 0.00 H new ATOM 0 HG22 ILE B 392 9.310 0.577 1.243 1.00 0.00 H new ATOM 0 HG23 ILE B 392 8.834 -0.350 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE B 392 4.993 -1.883 0.691 1.00 0.00 H new ATOM 0 HD12 ILE B 392 5.559 -1.050 2.159 1.00 0.00 H new ATOM 0 HD13 ILE B 392 5.909 -0.363 0.555 1.00 0.00 H new ATOM 1760 N ALA B 393 10.748 -0.343 2.694 1.00 0.00 N ATOM 1761 CA ALA B 393 11.867 0.569 2.847 1.00 0.00 C ATOM 1762 C ALA B 393 13.176 -0.194 2.907 1.00 0.00 C ATOM 1763 O ALA B 393 14.216 0.292 2.464 1.00 0.00 O ATOM 1764 CB ALA B 393 11.728 1.324 4.151 1.00 0.00 C ATOM 0 H ALA B 393 10.008 -0.210 3.383 1.00 0.00 H new ATOM 0 HA ALA B 393 11.866 1.247 1.994 1.00 0.00 H new ATOM 0 HB1 ALA B 393 12.568 2.009 4.266 1.00 0.00 H new ATOM 0 HB2 ALA B 393 10.796 1.890 4.146 1.00 0.00 H new ATOM 0 HB3 ALA B 393 11.719 0.618 4.981 1.00 0.00 H new ATOM 1770 N GLY B 394 13.118 -1.383 3.494 1.00 0.00 N ATOM 1771 CA GLY B 394 14.317 -2.192 3.648 1.00 0.00 C ATOM 1772 C GLY B 394 14.575 -3.009 2.409 1.00 0.00 C ATOM 1773 O GLY B 394 15.675 -3.505 2.191 1.00 0.00 O ATOM 0 H GLY B 394 12.266 -1.803 3.866 1.00 0.00 H new ATOM 0 HA2 GLY B 394 15.173 -1.547 3.848 1.00 0.00 H new ATOM 0 HA3 GLY B 394 14.207 -2.853 4.508 1.00 0.00 H new ATOM 1777 N TYR B 395 13.545 -3.140 1.608 1.00 0.00 N ATOM 1778 CA TYR B 395 13.632 -3.892 0.385 1.00 0.00 C ATOM 1779 C TYR B 395 14.125 -2.983 -0.728 1.00 0.00 C ATOM 1780 O TYR B 395 14.941 -3.392 -1.548 1.00 0.00 O ATOM 1781 CB TYR B 395 12.262 -4.484 0.097 1.00 0.00 C ATOM 1782 CG TYR B 395 12.041 -5.775 0.895 1.00 0.00 C ATOM 1783 CD1 TYR B 395 12.806 -6.089 2.046 1.00 0.00 C ATOM 1784 CD2 TYR B 395 11.067 -6.681 0.458 1.00 0.00 C ATOM 1785 CE1 TYR B 395 12.582 -7.294 2.729 1.00 0.00 C ATOM 1786 CE2 TYR B 395 10.855 -7.884 1.141 1.00 0.00 C ATOM 1787 CZ TYR B 395 11.613 -8.192 2.273 1.00 0.00 C ATOM 1788 OH TYR B 395 11.402 -9.379 2.943 1.00 0.00 O ATOM 0 H TYR B 395 12.628 -2.730 1.787 1.00 0.00 H new ATOM 0 HA TYR B 395 14.346 -4.712 0.465 1.00 0.00 H new ATOM 0 HB2 TYR B 395 11.488 -3.759 0.350 1.00 0.00 H new ATOM 0 HB3 TYR B 395 12.168 -4.691 -0.969 1.00 0.00 H new ATOM 0 HD1 TYR B 395 13.561 -5.401 2.397 1.00 0.00 H new ATOM 0 HD2 TYR B 395 10.474 -6.449 -0.414 1.00 0.00 H new ATOM 0 HE1 TYR B 395 13.161 -7.528 3.610 1.00 0.00 H new ATOM 0 HE2 TYR B 395 10.103 -8.576 0.792 1.00 0.00 H new ATOM 0 HH TYR B 395 10.693 -9.886 2.495 1.00 0.00 H new ATOM 1798 N ILE B 396 13.694 -1.728 -0.713 1.00 0.00 N ATOM 1799 CA ILE B 396 14.199 -0.780 -1.707 1.00 0.00 C ATOM 1800 C ILE B 396 15.649 -0.500 -1.434 1.00 0.00 C ATOM 1801 O ILE B 396 16.372 0.067 -2.252 1.00 0.00 O ATOM 1802 CB ILE B 396 13.441 0.545 -1.747 1.00 0.00 C ATOM 1803 CG1 ILE B 396 12.239 0.480 -0.833 1.00 0.00 C ATOM 1804 CG2 ILE B 396 12.984 0.808 -3.180 1.00 0.00 C ATOM 1805 CD1 ILE B 396 11.419 1.761 -0.963 1.00 0.00 C ATOM 0 H ILE B 396 13.019 -1.348 -0.049 1.00 0.00 H new ATOM 0 HA ILE B 396 14.055 -1.253 -2.678 1.00 0.00 H new ATOM 0 HB ILE B 396 14.094 1.351 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE B 396 11.624 -0.383 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE B 396 12.563 0.348 0.199 1.00 0.00 H new ATOM 0 HG21 ILE B 396 12.441 1.752 -3.221 1.00 0.00 H new ATOM 0 HG22 ILE B 396 13.853 0.860 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE B 396 12.331 -0.001 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE B 396 10.554 1.708 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE B 396 12.035 2.617 -0.687 1.00 0.00 H new ATOM 0 HD13 ILE B 396 11.082 1.874 -1.993 1.00 0.00 H new ATOM 1817 N ASP B 397 16.052 -0.917 -0.266 1.00 0.00 N ATOM 1818 CA ASP B 397 17.419 -0.716 0.181 1.00 0.00 C ATOM 1819 C ASP B 397 18.316 -1.739 -0.469 1.00 0.00 C ATOM 1820 O ASP B 397 19.532 -1.573 -0.567 1.00 0.00 O ATOM 1821 CB ASP B 397 17.478 -0.868 1.697 1.00 0.00 C ATOM 1822 CG ASP B 397 18.414 0.175 2.295 1.00 0.00 C ATOM 1823 OD1 ASP B 397 17.949 1.266 2.582 1.00 0.00 O ATOM 1824 OD2 ASP B 397 19.583 -0.132 2.459 1.00 0.00 O1- ATOM 0 H ASP B 397 15.455 -1.402 0.404 1.00 0.00 H new ATOM 0 HA ASP B 397 17.754 0.283 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP B 397 16.480 -0.756 2.120 1.00 0.00 H new ATOM 0 HB3 ASP B 397 17.824 -1.869 1.956 1.00 0.00 H new ATOM 1829 N ILE B 398 17.687 -2.814 -0.874 1.00 0.00 N ATOM 1830 CA ILE B 398 18.364 -3.920 -1.486 1.00 0.00 C ATOM 1831 C ILE B 398 18.408 -3.796 -2.993 1.00 0.00 C ATOM 1832 O ILE B 398 19.468 -3.766 -3.618 1.00 0.00 O ATOM 1833 CB ILE B 398 17.577 -5.154 -1.115 1.00 0.00 C ATOM 1834 CG1 ILE B 398 17.560 -5.285 0.413 1.00 0.00 C ATOM 1835 CG2 ILE B 398 18.216 -6.370 -1.753 1.00 0.00 C ATOM 1836 CD1 ILE B 398 16.468 -6.258 0.872 1.00 0.00 C ATOM 0 H ILE B 398 16.679 -2.943 -0.785 1.00 0.00 H new ATOM 0 HA ILE B 398 19.397 -3.959 -1.139 1.00 0.00 H new ATOM 0 HB ILE B 398 16.552 -5.076 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE B 398 18.532 -5.634 0.762 1.00 0.00 H new ATOM 0 HG13 ILE B 398 17.392 -4.307 0.863 1.00 0.00 H new ATOM 0 HG21 ILE B 398 17.649 -7.262 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE B 398 18.219 -6.253 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE B 398 19.241 -6.472 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE B 398 16.479 -6.331 1.959 1.00 0.00 H new ATOM 0 HD12 ILE B 398 15.495 -5.894 0.543 1.00 0.00 H new ATOM 0 HD13 ILE B 398 16.652 -7.242 0.440 1.00 0.00 H new ATOM 1848 N ILE B 399 17.215 -3.789 -3.551 1.00 0.00 N ATOM 1849 CA ILE B 399 17.023 -3.743 -4.986 1.00 0.00 C ATOM 1850 C ILE B 399 17.533 -2.448 -5.595 1.00 0.00 C ATOM 1851 O ILE B 399 17.770 -2.385 -6.802 1.00 0.00 O ATOM 1852 CB ILE B 399 15.537 -3.879 -5.254 1.00 0.00 C ATOM 1853 CG1 ILE B 399 14.857 -2.612 -4.757 1.00 0.00 C ATOM 1854 CG2 ILE B 399 15.004 -5.078 -4.469 1.00 0.00 C ATOM 1855 CD1 ILE B 399 13.418 -2.924 -4.311 1.00 0.00 C ATOM 0 H ILE B 399 16.346 -3.815 -3.018 1.00 0.00 H new ATOM 0 HA ILE B 399 17.590 -4.553 -5.444 1.00 0.00 H new ATOM 0 HB ILE B 399 15.344 -4.024 -6.317 1.00 0.00 H new ATOM 0 HG12 ILE B 399 15.420 -2.190 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE B 399 14.846 -1.862 -5.548 1.00 0.00 H new ATOM 0 HG21 ILE B 399 13.935 -5.187 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE B 399 15.522 -5.982 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE B 399 15.175 -4.921 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE B 399 12.941 -2.010 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE B 399 12.855 -3.325 -5.154 1.00 0.00 H new ATOM 0 HD13 ILE B 399 13.438 -3.658 -3.506 1.00 0.00 H new ATOM 1867 N LEU B 400 17.680 -1.404 -4.784 1.00 0.00 N ATOM 1868 CA LEU B 400 18.146 -0.128 -5.335 1.00 0.00 C ATOM 1869 C LEU B 400 19.375 -0.335 -6.217 1.00 0.00 C ATOM 1870 O LEU B 400 19.858 -1.453 -6.282 1.00 0.00 O ATOM 1871 CB LEU B 400 18.477 0.881 -4.233 1.00 0.00 C ATOM 1872 CG LEU B 400 19.256 0.205 -3.104 1.00 0.00 C ATOM 1873 CD1 LEU B 400 20.623 -0.270 -3.607 1.00 0.00 C ATOM 1874 CD2 LEU B 400 19.461 1.211 -1.970 1.00 0.00 C ATOM 1875 OXT LEU B 400 19.816 0.631 -6.817 1.00 0.00 O ATOM 0 H LEU B 400 17.493 -1.408 -3.781 1.00 0.00 H new ATOM 0 HA LEU B 400 17.330 0.274 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU B 400 19.063 1.701 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU B 400 17.557 1.314 -3.840 1.00 0.00 H new ATOM 0 HG LEU B 400 18.692 -0.657 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU B 400 21.165 -0.749 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU B 400 20.484 -0.984 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU B 400 21.194 0.585 -3.969 1.00 0.00 H new ATOM 0 HD21 LEU B 400 20.016 0.738 -1.160 1.00 0.00 H new ATOM 0 HD22 LEU B 400 20.022 2.069 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU B 400 18.492 1.544 -1.600 1.00 0.00 H new