USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=23 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= -0.846! USER MOD Set 1.2: B 379 SER OG : rot 88:sc= 0.58! USER MOD Set 2.1: B 357 LYS NZ :NH3+ -139:sc= 0.281! (180deg=-1.33!) USER MOD Set 2.2: B 373 TYR OH : rot 180:sc= -1.41! USER MOD Set 3.1: B 352 SER OG : rot -135:sc= -2.65! USER MOD Set 3.2: B 355 ASN :FLIP amide:sc= -4.31! C(o=-12!,f=-7!) USER MOD Set 4.1: B 333 THR OG1 : rot -128:sc= -2.09! USER MOD Set 4.2: B 336 CYS SG : rot 180:sc= -0.363! USER MOD Set 5.1: B 311 SER OG : rot -110:sc= -0.64 USER MOD Set 5.2: 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+ 154:sc= -0.481 (180deg=-0.777) USER MOD Single : B 338 MET CE :methyl -167:sc= -0.114 (180deg=-0.755) USER MOD Single : B 343 LYS NZ :NH3+ 157:sc= -0.0196 (180deg=-0.771) USER MOD Single : B 344 THR OG1 : rot -150:sc= -0.545 USER MOD Single : B 345 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 349 GLN : amide:sc= -0.984 K(o=-0.98,f=-2.2) USER MOD Single : B 354 THR OG1 : rot 31:sc= -0.786 USER MOD Single : B 362 SER OG : rot -145:sc= -1.44 USER MOD Single : B 364 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 374 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.4) USER MOD Single : B 377 TYR OH : rot -82:sc= -3.06! 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) USER MOD Single : B 382 THR OG1 : rot -129:sc= 0.546 USER MOD Single : B 383 THR OG1 : rot 180:sc= 0.059 USER MOD Single : B 387 GLN :FLIP amide:sc= -0.262 F(o=-2,f=-0.26) USER MOD Single : B 390 GLN :FLIP amide:sc= -2.48 F(o=-3.4!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 125 N LEU A 15 1.238 12.000 2.215 1.00 0.00 N ATOM 126 CA LEU A 15 0.546 10.769 1.841 1.00 0.00 C ATOM 127 C LEU A 15 -0.714 10.620 2.676 1.00 0.00 C ATOM 128 O LEU A 15 -1.762 10.217 2.176 1.00 0.00 O ATOM 129 CB LEU A 15 1.464 9.555 2.070 1.00 0.00 C ATOM 130 CG LEU A 15 2.418 9.313 0.877 1.00 0.00 C ATOM 131 CD1 LEU A 15 1.641 9.059 -0.410 1.00 0.00 C ATOM 132 CD2 LEU A 15 3.327 10.517 0.673 1.00 0.00 C ATOM 0 HA LEU A 15 0.280 10.818 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.050 9.710 2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.855 8.666 2.232 1.00 0.00 H new ATOM 0 HG LEU A 15 3.015 8.432 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.340 8.893 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.010 8.179 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.017 9.924 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.993 10.332 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.721 11.400 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.919 10.683 1.573 1.00 0.00 H new ATOM 144 N LEU A 16 -0.611 10.967 3.947 1.00 0.00 N ATOM 145 CA LEU A 16 -1.755 10.884 4.837 1.00 0.00 C ATOM 146 C LEU A 16 -2.884 11.780 4.313 1.00 0.00 C ATOM 147 O LEU A 16 -4.050 11.378 4.282 1.00 0.00 O ATOM 148 CB LEU A 16 -1.334 11.305 6.246 1.00 0.00 C ATOM 149 CG LEU A 16 -1.642 10.191 7.261 1.00 0.00 C ATOM 150 CD1 LEU A 16 -3.138 9.868 7.239 1.00 0.00 C ATOM 151 CD2 LEU A 16 -0.836 8.927 6.913 1.00 0.00 C ATOM 0 H LEU A 16 0.246 11.306 4.383 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.121 9.858 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.268 11.532 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.858 12.218 6.530 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.362 10.532 8.258 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.350 9.078 7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.707 10.760 7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.424 9.535 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.059 8.143 7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.106 8.587 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.229 9.155 6.943 1.00 0.00 H new ATOM 163 N GLY A 17 -2.529 12.980 3.864 1.00 0.00 N ATOM 164 CA GLY A 17 -3.521 13.892 3.306 1.00 0.00 C ATOM 165 C GLY A 17 -4.198 13.231 2.113 1.00 0.00 C ATOM 166 O GLY A 17 -5.404 13.359 1.911 1.00 0.00 O ATOM 0 H GLY A 17 -1.575 13.340 3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.262 14.149 4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.044 14.823 2.998 1.00 0.00 H new ATOM 170 N GLU A 18 -3.408 12.501 1.337 1.00 0.00 N ATOM 171 CA GLU A 18 -3.928 11.792 0.181 1.00 0.00 C ATOM 172 C GLU A 18 -4.801 10.632 0.631 1.00 0.00 C ATOM 173 O GLU A 18 -5.846 10.370 0.048 1.00 0.00 O ATOM 174 CB GLU A 18 -2.760 11.281 -0.658 1.00 0.00 C ATOM 175 CG GLU A 18 -2.356 12.357 -1.665 1.00 0.00 C ATOM 176 CD GLU A 18 -3.173 12.213 -2.944 1.00 0.00 C ATOM 177 OE1 GLU A 18 -4.141 11.472 -2.927 1.00 0.00 O1- ATOM 178 OE2 GLU A 18 -2.822 12.851 -3.923 1.00 0.00 O ATOM 0 H GLU A 18 -2.406 12.386 1.489 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.536 12.468 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.916 11.033 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.044 10.367 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.512 13.346 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.293 12.273 -1.892 1.00 0.00 H new ATOM 394 N VAL B 310 9.357 -12.748 0.818 1.00 0.00 N ATOM 395 CA VAL B 310 8.087 -12.056 0.616 1.00 0.00 C ATOM 396 C VAL B 310 7.360 -11.862 1.945 1.00 0.00 C ATOM 397 O VAL B 310 7.315 -12.768 2.776 1.00 0.00 O ATOM 398 CB VAL B 310 7.208 -12.863 -0.340 1.00 0.00 C ATOM 399 CG1 VAL B 310 5.848 -12.180 -0.487 1.00 0.00 C ATOM 400 CG2 VAL B 310 7.882 -12.938 -1.711 1.00 0.00 C ATOM 0 HA VAL B 310 8.290 -11.075 0.186 1.00 0.00 H new ATOM 0 HB VAL B 310 7.071 -13.868 0.059 1.00 0.00 H new ATOM 0 HG11 VAL B 310 5.223 -12.757 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL B 310 5.363 -12.121 0.488 1.00 0.00 H new ATOM 0 HG13 VAL B 310 5.987 -11.175 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL B 310 7.256 -13.513 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL B 310 8.018 -11.931 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL B 310 8.853 -13.423 -1.613 1.00 0.00 H new ATOM 410 N SER B 311 6.789 -10.674 2.132 1.00 0.00 N ATOM 411 CA SER B 311 6.062 -10.359 3.356 1.00 0.00 C ATOM 412 C SER B 311 4.575 -10.217 3.063 1.00 0.00 C ATOM 413 O SER B 311 4.199 -9.911 1.943 1.00 0.00 O ATOM 414 CB SER B 311 6.587 -9.060 3.939 1.00 0.00 C ATOM 415 OG SER B 311 7.706 -8.625 3.178 1.00 0.00 O ATOM 0 H SER B 311 6.817 -9.915 1.451 1.00 0.00 H new ATOM 0 HA SER B 311 6.208 -11.169 4.071 1.00 0.00 H new ATOM 0 HB2 SER B 311 5.806 -8.300 3.926 1.00 0.00 H new ATOM 0 HB3 SER B 311 6.874 -9.205 4.980 1.00 0.00 H new ATOM 0 HG SER B 311 8.522 -8.719 3.713 1.00 0.00 H new ATOM 421 N PHE B 312 3.737 -10.471 4.066 1.00 0.00 N ATOM 422 CA PHE B 312 2.288 -10.401 3.890 1.00 0.00 C ATOM 423 C PHE B 312 1.631 -9.552 4.983 1.00 0.00 C ATOM 424 O PHE B 312 1.936 -9.725 6.162 1.00 0.00 O ATOM 425 CB PHE B 312 1.743 -11.824 3.971 1.00 0.00 C ATOM 426 CG PHE B 312 2.059 -12.567 2.693 1.00 0.00 C ATOM 427 CD1 PHE B 312 1.474 -12.167 1.486 1.00 0.00 C ATOM 428 CD2 PHE B 312 2.938 -13.658 2.716 1.00 0.00 C ATOM 429 CE1 PHE B 312 1.767 -12.857 0.303 1.00 0.00 C ATOM 430 CE2 PHE B 312 3.230 -14.348 1.533 1.00 0.00 C ATOM 431 CZ PHE B 312 2.645 -13.947 0.326 1.00 0.00 C ATOM 0 H PHE B 312 4.036 -10.727 5.007 1.00 0.00 H new ATOM 0 HA PHE B 312 2.065 -9.939 2.928 1.00 0.00 H new ATOM 0 HB2 PHE B 312 2.182 -12.344 4.823 1.00 0.00 H new ATOM 0 HB3 PHE B 312 0.665 -11.802 4.133 1.00 0.00 H new ATOM 0 HD1 PHE B 312 0.797 -11.326 1.467 1.00 0.00 H new ATOM 0 HD2 PHE B 312 3.391 -13.967 3.647 1.00 0.00 H new ATOM 0 HE1 PHE B 312 1.315 -12.548 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE B 312 3.907 -15.190 1.552 1.00 0.00 H new ATOM 0 HZ PHE B 312 2.871 -14.478 -0.587 1.00 0.00 H new ATOM 441 N PHE B 313 0.712 -8.645 4.603 1.00 0.00 N ATOM 442 CA PHE B 313 0.036 -7.825 5.598 1.00 0.00 C ATOM 443 C PHE B 313 -1.434 -7.679 5.261 1.00 0.00 C ATOM 444 O PHE B 313 -1.794 -7.287 4.155 1.00 0.00 O ATOM 445 CB PHE B 313 0.660 -6.439 5.665 1.00 0.00 C ATOM 446 CG PHE B 313 1.980 -6.509 6.386 1.00 0.00 C ATOM 447 CD1 PHE B 313 3.141 -6.864 5.692 1.00 0.00 C ATOM 448 CD2 PHE B 313 2.041 -6.213 7.750 1.00 0.00 C ATOM 449 CE1 PHE B 313 4.366 -6.924 6.364 1.00 0.00 C ATOM 450 CE2 PHE B 313 3.268 -6.272 8.424 1.00 0.00 C ATOM 451 CZ PHE B 313 4.430 -6.627 7.728 1.00 0.00 C ATOM 0 H PHE B 313 0.433 -8.471 3.637 1.00 0.00 H new ATOM 0 HA PHE B 313 0.143 -8.322 6.562 1.00 0.00 H new ATOM 0 HB2 PHE B 313 0.805 -6.046 4.659 1.00 0.00 H new ATOM 0 HB3 PHE B 313 -0.011 -5.752 6.181 1.00 0.00 H new ATOM 0 HD1 PHE B 313 3.092 -7.092 4.637 1.00 0.00 H new ATOM 0 HD2 PHE B 313 1.143 -5.939 8.284 1.00 0.00 H new ATOM 0 HE1 PHE B 313 5.263 -7.200 5.829 1.00 0.00 H new ATOM 0 HE2 PHE B 313 3.317 -6.044 9.479 1.00 0.00 H new ATOM 0 HZ PHE B 313 5.377 -6.671 8.246 1.00 0.00 H new ATOM 461 N LEU B 314 -2.274 -7.967 6.233 1.00 0.00 N ATOM 462 CA LEU B 314 -3.697 -7.835 6.043 1.00 0.00 C ATOM 463 C LEU B 314 -4.093 -6.390 6.213 1.00 0.00 C ATOM 464 O LEU B 314 -4.041 -5.793 7.276 1.00 0.00 O ATOM 465 CB LEU B 314 -4.486 -8.834 6.921 1.00 0.00 C ATOM 466 CG LEU B 314 -5.000 -8.266 8.258 1.00 0.00 C ATOM 467 CD1 LEU B 314 -3.871 -7.597 9.045 1.00 0.00 C ATOM 468 CD2 LEU B 314 -6.156 -7.277 8.030 1.00 0.00 C ATOM 0 H LEU B 314 -1.994 -8.293 7.158 1.00 0.00 H new ATOM 0 HA LEU B 314 -3.966 -8.112 5.024 1.00 0.00 H new ATOM 0 HB2 LEU B 314 -5.338 -9.202 6.349 1.00 0.00 H new ATOM 0 HB3 LEU B 314 -3.848 -9.692 7.130 1.00 0.00 H new ATOM 0 HG LEU B 314 -5.376 -9.102 8.847 1.00 0.00 H new ATOM 0 HD11 LEU B 314 -4.264 -7.206 9.983 1.00 0.00 H new ATOM 0 HD12 LEU B 314 -3.091 -8.329 9.255 1.00 0.00 H new ATOM 0 HD13 LEU B 314 -3.453 -6.779 8.458 1.00 0.00 H new ATOM 0 HD21 LEU B 314 -6.500 -6.891 8.990 1.00 0.00 H new ATOM 0 HD22 LEU B 314 -5.810 -6.450 7.410 1.00 0.00 H new ATOM 0 HD23 LEU B 314 -6.978 -7.788 7.529 1.00 0.00 H new ATOM 480 N VAL B 315 -4.395 -5.819 5.090 1.00 0.00 N ATOM 481 CA VAL B 315 -4.739 -4.420 5.013 1.00 0.00 C ATOM 482 C VAL B 315 -6.155 -4.258 4.475 1.00 0.00 C ATOM 483 O VAL B 315 -6.674 -5.171 3.857 1.00 0.00 O ATOM 484 CB VAL B 315 -3.750 -3.755 4.077 1.00 0.00 C ATOM 485 CG1 VAL B 315 -2.325 -3.938 4.601 1.00 0.00 C ATOM 486 CG2 VAL B 315 -3.878 -4.389 2.681 1.00 0.00 C ATOM 0 H VAL B 315 -4.412 -6.305 4.193 1.00 0.00 H new ATOM 0 HA VAL B 315 -4.698 -3.963 6.002 1.00 0.00 H new ATOM 0 HB VAL B 315 -3.965 -2.688 4.019 1.00 0.00 H new ATOM 0 HG11 VAL B 315 -1.623 -3.456 3.921 1.00 0.00 H new ATOM 0 HG12 VAL B 315 -2.240 -3.487 5.590 1.00 0.00 H new ATOM 0 HG13 VAL B 315 -2.095 -5.001 4.667 1.00 0.00 H new ATOM 0 HG21 VAL B 315 -3.170 -3.916 2.000 1.00 0.00 H new ATOM 0 HG22 VAL B 315 -3.663 -5.456 2.745 1.00 0.00 H new ATOM 0 HG23 VAL B 315 -4.892 -4.245 2.307 1.00 0.00 H new ATOM 496 N LYS B 316 -6.777 -3.097 4.698 1.00 0.00 N ATOM 497 CA LYS B 316 -8.123 -2.872 4.199 1.00 0.00 C ATOM 498 C LYS B 316 -8.059 -2.010 2.958 1.00 0.00 C ATOM 499 O LYS B 316 -7.201 -1.143 2.840 1.00 0.00 O ATOM 500 CB LYS B 316 -8.986 -2.183 5.244 1.00 0.00 C ATOM 501 CG LYS B 316 -8.754 -2.812 6.619 1.00 0.00 C ATOM 502 CD LYS B 316 -9.599 -2.082 7.666 1.00 0.00 C ATOM 503 CE LYS B 316 -10.702 -3.014 8.174 1.00 0.00 C ATOM 504 NZ LYS B 316 -11.656 -2.240 9.017 1.00 0.00 N1+ ATOM 0 H LYS B 316 -6.373 -2.314 5.213 1.00 0.00 H new ATOM 0 HA LYS B 316 -8.569 -3.838 3.965 1.00 0.00 H new ATOM 0 HB2 LYS B 316 -8.749 -1.120 5.278 1.00 0.00 H new ATOM 0 HB3 LYS B 316 -10.038 -2.267 4.970 1.00 0.00 H new ATOM 0 HG2 LYS B 316 -9.019 -3.869 6.596 1.00 0.00 H new ATOM 0 HG3 LYS B 316 -7.698 -2.753 6.884 1.00 0.00 H new ATOM 0 HD2 LYS B 316 -8.970 -1.760 8.496 1.00 0.00 H new ATOM 0 HD3 LYS B 316 -10.039 -1.184 7.232 1.00 0.00 H new ATOM 0 HE2 LYS B 316 -11.227 -3.466 7.333 1.00 0.00 H new ATOM 0 HE3 LYS B 316 -10.267 -3.829 8.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 316 -12.406 -2.872 9.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 316 -11.149 -1.829 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 316 -12.080 -1.478 8.451 1.00 0.00 H new ATOM 518 N GLU B 317 -8.953 -2.272 2.034 1.00 0.00 N ATOM 519 CA GLU B 317 -8.971 -1.538 0.784 1.00 0.00 C ATOM 520 C GLU B 317 -10.360 -1.071 0.400 1.00 0.00 C ATOM 521 O GLU B 317 -11.366 -1.698 0.713 1.00 0.00 O ATOM 522 CB GLU B 317 -8.438 -2.426 -0.325 1.00 0.00 C ATOM 523 CG GLU B 317 -7.996 -1.564 -1.516 1.00 0.00 C ATOM 524 CD GLU B 317 -7.354 -2.435 -2.590 1.00 0.00 C ATOM 525 OE1 GLU B 317 -6.410 -3.139 -2.269 1.00 0.00 O ATOM 526 OE2 GLU B 317 -7.810 -2.378 -3.718 1.00 0.00 O1- ATOM 0 H GLU B 317 -9.677 -2.985 2.121 1.00 0.00 H new ATOM 0 HA GLU B 317 -8.347 -0.655 0.922 1.00 0.00 H new ATOM 0 HB2 GLU B 317 -7.597 -3.015 0.041 1.00 0.00 H new ATOM 0 HB3 GLU B 317 -9.207 -3.131 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU B 317 -8.855 -1.037 -1.931 1.00 0.00 H new ATOM 0 HG3 GLU B 317 -7.288 -0.806 -1.182 1.00 0.00 H new ATOM 678 N VAL B 326 -12.416 -2.775 2.604 1.00 0.00 N ATOM 679 CA VAL B 326 -12.610 -4.200 2.671 1.00 0.00 C ATOM 680 C VAL B 326 -11.327 -4.879 3.130 1.00 0.00 C ATOM 681 O VAL B 326 -10.292 -4.698 2.490 1.00 0.00 O ATOM 682 CB VAL B 326 -12.973 -4.679 1.276 1.00 0.00 C ATOM 683 CG1 VAL B 326 -12.682 -6.168 1.145 1.00 0.00 C ATOM 684 CG2 VAL B 326 -14.452 -4.400 1.014 1.00 0.00 C ATOM 0 HA VAL B 326 -13.400 -4.444 3.381 1.00 0.00 H new ATOM 0 HB VAL B 326 -12.373 -4.144 0.539 1.00 0.00 H new ATOM 0 HG11 VAL B 326 -12.945 -6.503 0.142 1.00 0.00 H new ATOM 0 HG12 VAL B 326 -11.622 -6.348 1.321 1.00 0.00 H new ATOM 0 HG13 VAL B 326 -13.271 -6.720 1.878 1.00 0.00 H new ATOM 0 HG21 VAL B 326 -14.715 -4.743 0.013 1.00 0.00 H new ATOM 0 HG22 VAL B 326 -15.058 -4.929 1.750 1.00 0.00 H new ATOM 0 HG23 VAL B 326 -14.640 -3.329 1.092 1.00 0.00 H new ATOM 694 N PRO B 327 -11.343 -5.660 4.195 1.00 0.00 N ATOM 695 CA PRO B 327 -10.114 -6.349 4.639 1.00 0.00 C ATOM 696 C PRO B 327 -9.434 -6.928 3.420 1.00 0.00 C ATOM 697 O PRO B 327 -10.106 -7.332 2.471 1.00 0.00 O ATOM 698 CB PRO B 327 -10.614 -7.437 5.586 1.00 0.00 C ATOM 699 CG PRO B 327 -11.914 -6.928 6.121 1.00 0.00 C ATOM 700 CD PRO B 327 -12.489 -5.970 5.070 1.00 0.00 C ATOM 0 HA PRO B 327 -9.389 -5.705 5.137 1.00 0.00 H new ATOM 0 HB2 PRO B 327 -10.748 -8.383 5.062 1.00 0.00 H new ATOM 0 HB3 PRO B 327 -9.901 -7.616 6.391 1.00 0.00 H new ATOM 0 HG2 PRO B 327 -12.602 -7.752 6.309 1.00 0.00 H new ATOM 0 HG3 PRO B 327 -11.765 -6.414 7.071 1.00 0.00 H new ATOM 0 HD2 PRO B 327 -13.302 -6.434 4.511 1.00 0.00 H new ATOM 0 HD3 PRO B 327 -12.893 -5.069 5.531 1.00 0.00 H new ATOM 708 N ARG B 328 -8.122 -6.927 3.399 1.00 0.00 N ATOM 709 CA ARG B 328 -7.436 -7.409 2.241 1.00 0.00 C ATOM 710 C ARG B 328 -6.119 -7.980 2.666 1.00 0.00 C ATOM 711 O ARG B 328 -5.862 -8.130 3.858 1.00 0.00 O ATOM 712 CB ARG B 328 -7.255 -6.268 1.226 1.00 0.00 C ATOM 713 CG ARG B 328 -6.789 -6.820 -0.123 1.00 0.00 C ATOM 714 CD ARG B 328 -7.482 -6.055 -1.250 1.00 0.00 C ATOM 715 NE ARG B 328 -6.971 -6.491 -2.546 1.00 0.00 N ATOM 716 CZ ARG B 328 -7.692 -6.347 -3.653 1.00 0.00 C ATOM 717 NH1 ARG B 328 -8.881 -5.812 -3.594 1.00 0.00 N ATOM 718 NH2 ARG B 328 -7.208 -6.739 -4.801 1.00 0.00 N1+ ATOM 0 H ARG B 328 -7.524 -6.603 4.159 1.00 0.00 H new ATOM 0 HA ARG B 328 -8.017 -8.192 1.754 1.00 0.00 H new ATOM 0 HB2 ARG B 328 -8.196 -5.732 1.101 1.00 0.00 H new ATOM 0 HB3 ARG B 328 -6.527 -5.550 1.603 1.00 0.00 H new ATOM 0 HG2 ARG B 328 -5.707 -6.723 -0.214 1.00 0.00 H new ATOM 0 HG3 ARG B 328 -7.021 -7.883 -0.193 1.00 0.00 H new ATOM 0 HD2 ARG B 328 -8.559 -6.219 -1.202 1.00 0.00 H new ATOM 0 HD3 ARG B 328 -7.317 -4.985 -1.128 1.00 0.00 H new ATOM 0 HE ARG B 328 -6.044 -6.914 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG B 328 -9.258 -5.504 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG B 328 -9.433 -5.702 -4.444 1.00 0.00 H new ATOM 0 HH21 ARG B 328 -6.278 -7.155 -4.847 1.00 0.00 H new ATOM 0 HH22 ARG B 328 -7.760 -6.629 -5.652 1.00 0.00 H new ATOM 732 N LEU B 329 -5.310 -8.340 1.707 1.00 0.00 N ATOM 733 CA LEU B 329 -4.059 -8.951 2.013 1.00 0.00 C ATOM 734 C LEU B 329 -3.010 -8.437 1.053 1.00 0.00 C ATOM 735 O LEU B 329 -3.145 -8.562 -0.145 1.00 0.00 O ATOM 736 CB LEU B 329 -4.303 -10.463 1.941 1.00 0.00 C ATOM 737 CG LEU B 329 -3.182 -11.301 2.583 1.00 0.00 C ATOM 738 CD1 LEU B 329 -3.120 -12.676 1.906 1.00 0.00 C ATOM 739 CD2 LEU B 329 -1.819 -10.631 2.448 1.00 0.00 C ATOM 0 H LEU B 329 -5.500 -8.219 0.712 1.00 0.00 H new ATOM 0 HA LEU B 329 -3.679 -8.710 3.006 1.00 0.00 H new ATOM 0 HB2 LEU B 329 -5.246 -10.694 2.436 1.00 0.00 H new ATOM 0 HB3 LEU B 329 -4.411 -10.756 0.897 1.00 0.00 H new ATOM 0 HG LEU B 329 -3.413 -11.399 3.644 1.00 0.00 H new ATOM 0 HD11 LEU B 329 -2.327 -13.270 2.360 1.00 0.00 H new ATOM 0 HD12 LEU B 329 -4.074 -13.188 2.033 1.00 0.00 H new ATOM 0 HD13 LEU B 329 -2.915 -12.549 0.843 1.00 0.00 H new ATOM 0 HD21 LEU B 329 -1.058 -11.257 2.915 1.00 0.00 H new ATOM 0 HD22 LEU B 329 -1.582 -10.498 1.392 1.00 0.00 H new ATOM 0 HD23 LEU B 329 -1.841 -9.659 2.940 1.00 0.00 H new ATOM 751 N LEU B 330 -1.977 -7.825 1.610 1.00 0.00 N ATOM 752 CA LEU B 330 -0.909 -7.261 0.825 1.00 0.00 C ATOM 753 C LEU B 330 0.245 -8.223 0.796 1.00 0.00 C ATOM 754 O LEU B 330 0.377 -9.046 1.692 1.00 0.00 O ATOM 755 CB LEU B 330 -0.491 -5.941 1.481 1.00 0.00 C ATOM 756 CG LEU B 330 0.821 -5.396 0.898 1.00 0.00 C ATOM 757 CD1 LEU B 330 0.613 -4.986 -0.554 1.00 0.00 C ATOM 758 CD2 LEU B 330 1.248 -4.185 1.722 1.00 0.00 C ATOM 0 H LEU B 330 -1.862 -7.709 2.617 1.00 0.00 H new ATOM 0 HA LEU B 330 -1.231 -7.078 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU B 330 -1.282 -5.203 1.345 1.00 0.00 H new ATOM 0 HB3 LEU B 330 -0.376 -6.091 2.554 1.00 0.00 H new ATOM 0 HG LEU B 330 1.593 -6.165 0.935 1.00 0.00 H new ATOM 0 HD11 LEU B 330 1.548 -4.600 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU B 330 0.294 -5.852 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU B 330 -0.152 -4.212 -0.607 1.00 0.00 H new ATOM 0 HD21 LEU B 330 2.179 -3.783 1.323 1.00 0.00 H new ATOM 0 HD22 LEU B 330 0.473 -3.420 1.674 1.00 0.00 H new ATOM 0 HD23 LEU B 330 1.397 -4.485 2.759 1.00 0.00 H new ATOM 770 N GLY B 331 1.102 -8.090 -0.203 1.00 0.00 N ATOM 771 CA GLY B 331 2.253 -8.929 -0.275 1.00 0.00 C ATOM 772 C GLY B 331 3.442 -8.145 -0.792 1.00 0.00 C ATOM 773 O GLY B 331 3.521 -7.813 -1.965 1.00 0.00 O ATOM 0 H GLY B 331 1.011 -7.413 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY B 331 2.478 -9.336 0.711 1.00 0.00 H new ATOM 0 HA3 GLY B 331 2.054 -9.776 -0.931 1.00 0.00 H new ATOM 777 N ILE B 332 4.380 -7.871 0.087 1.00 0.00 N ATOM 778 CA ILE B 332 5.581 -7.172 -0.311 1.00 0.00 C ATOM 779 C ILE B 332 6.588 -8.194 -0.774 1.00 0.00 C ATOM 780 O ILE B 332 6.946 -9.110 -0.038 1.00 0.00 O ATOM 781 CB ILE B 332 6.186 -6.397 0.851 1.00 0.00 C ATOM 782 CG1 ILE B 332 5.129 -5.496 1.489 1.00 0.00 C ATOM 783 CG2 ILE B 332 7.360 -5.549 0.345 1.00 0.00 C ATOM 784 CD1 ILE B 332 4.445 -4.657 0.409 1.00 0.00 C ATOM 0 H ILE B 332 4.335 -8.119 1.075 1.00 0.00 H new ATOM 0 HA ILE B 332 5.327 -6.467 -1.102 1.00 0.00 H new ATOM 0 HB ILE B 332 6.546 -7.100 1.602 1.00 0.00 H new ATOM 0 HG12 ILE B 332 4.391 -6.102 2.014 1.00 0.00 H new ATOM 0 HG13 ILE B 332 5.592 -4.844 2.230 1.00 0.00 H new ATOM 0 HG21 ILE B 332 7.793 -4.994 1.177 1.00 0.00 H new ATOM 0 HG22 ILE B 332 8.118 -6.200 -0.091 1.00 0.00 H new ATOM 0 HG23 ILE B 332 7.004 -4.850 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE B 332 3.692 -4.016 0.868 1.00 0.00 H new ATOM 0 HD12 ILE B 332 5.187 -4.040 -0.097 1.00 0.00 H new ATOM 0 HD13 ILE B 332 3.967 -5.316 -0.316 1.00 0.00 H new ATOM 796 N THR B 333 7.041 -8.019 -1.988 1.00 0.00 N ATOM 797 CA THR B 333 8.003 -8.897 -2.575 1.00 0.00 C ATOM 798 C THR B 333 9.241 -8.097 -2.877 1.00 0.00 C ATOM 799 O THR B 333 9.147 -6.974 -3.357 1.00 0.00 O ATOM 800 CB THR B 333 7.423 -9.472 -3.860 1.00 0.00 C ATOM 801 OG1 THR B 333 7.705 -8.596 -4.939 1.00 0.00 O ATOM 802 CG2 THR B 333 5.907 -9.625 -3.702 1.00 0.00 C ATOM 0 H THR B 333 6.747 -7.255 -2.597 1.00 0.00 H new ATOM 0 HA THR B 333 8.250 -9.716 -1.900 1.00 0.00 H new ATOM 0 HB THR B 333 7.869 -10.446 -4.063 1.00 0.00 H new ATOM 0 HG1 THR B 333 6.877 -8.399 -5.425 1.00 0.00 H new ATOM 0 HG21 THR B 333 5.485 -10.036 -4.619 1.00 0.00 H new ATOM 0 HG22 THR B 333 5.694 -10.297 -2.871 1.00 0.00 H new ATOM 0 HG23 THR B 333 5.462 -8.650 -3.503 1.00 0.00 H new ATOM 810 N LYS B 334 10.395 -8.668 -2.602 1.00 0.00 N ATOM 811 CA LYS B 334 11.657 -7.979 -2.854 1.00 0.00 C ATOM 812 C LYS B 334 11.790 -7.577 -4.320 1.00 0.00 C ATOM 813 O LYS B 334 12.870 -7.245 -4.779 1.00 0.00 O ATOM 814 CB LYS B 334 12.829 -8.876 -2.460 1.00 0.00 C ATOM 815 CG LYS B 334 12.759 -10.190 -3.241 1.00 0.00 C ATOM 816 CD LYS B 334 12.572 -11.352 -2.264 1.00 0.00 C ATOM 817 CE LYS B 334 12.376 -12.652 -3.046 1.00 0.00 C ATOM 818 NZ LYS B 334 10.964 -13.107 -2.908 1.00 0.00 N1+ ATOM 0 H LYS B 334 10.492 -9.603 -2.206 1.00 0.00 H new ATOM 0 HA LYS B 334 11.669 -7.072 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS B 334 13.772 -8.370 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS B 334 12.802 -9.077 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS B 334 11.932 -10.160 -3.951 1.00 0.00 H new ATOM 0 HG3 LYS B 334 13.672 -10.331 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS B 334 13.441 -11.436 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS B 334 11.709 -11.167 -1.624 1.00 0.00 H new ATOM 0 HE2 LYS B 334 12.618 -12.496 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS B 334 13.055 -13.419 -2.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 334 10.704 -13.686 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS B 334 10.865 -13.674 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 334 10.336 -12.280 -2.854 1.00 0.00 H new ATOM 832 N GLU B 335 10.685 -7.624 -5.037 1.00 0.00 N ATOM 833 CA GLU B 335 10.650 -7.246 -6.439 1.00 0.00 C ATOM 834 C GLU B 335 9.330 -6.568 -6.777 1.00 0.00 C ATOM 835 O GLU B 335 9.119 -6.151 -7.916 1.00 0.00 O ATOM 836 CB GLU B 335 10.836 -8.480 -7.324 1.00 0.00 C ATOM 837 CG GLU B 335 9.845 -9.566 -6.899 1.00 0.00 C ATOM 838 CD GLU B 335 10.070 -10.829 -7.723 1.00 0.00 C ATOM 839 OE1 GLU B 335 11.086 -11.473 -7.517 1.00 0.00 O ATOM 840 OE2 GLU B 335 9.224 -11.133 -8.546 1.00 0.00 O1- ATOM 0 H GLU B 335 9.784 -7.925 -4.665 1.00 0.00 H new ATOM 0 HA GLU B 335 11.464 -6.545 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU B 335 10.678 -8.218 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU B 335 11.857 -8.851 -7.239 1.00 0.00 H new ATOM 0 HG2 GLU B 335 9.968 -9.787 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU B 335 8.823 -9.211 -7.034 1.00 0.00 H new ATOM 847 N CYS B 336 8.407 -6.507 -5.809 1.00 0.00 N ATOM 848 CA CYS B 336 7.104 -5.933 -6.088 1.00 0.00 C ATOM 849 C CYS B 336 6.237 -5.822 -4.861 1.00 0.00 C ATOM 850 O CYS B 336 6.599 -6.229 -3.760 1.00 0.00 O ATOM 851 CB CYS B 336 6.382 -6.777 -7.141 1.00 0.00 C ATOM 852 SG CYS B 336 4.993 -7.657 -6.386 1.00 0.00 S ATOM 0 H CYS B 336 8.540 -6.840 -4.854 1.00 0.00 H new ATOM 0 HA CYS B 336 7.277 -4.922 -6.457 1.00 0.00 H new ATOM 0 HB2 CYS B 336 6.023 -6.137 -7.947 1.00 0.00 H new ATOM 0 HB3 CYS B 336 7.076 -7.490 -7.585 1.00 0.00 H new ATOM 0 HG CYS B 336 4.387 -8.368 -7.290 1.00 0.00 H new ATOM 858 N VAL B 337 5.077 -5.252 -5.098 1.00 0.00 N ATOM 859 CA VAL B 337 4.085 -5.043 -4.075 1.00 0.00 C ATOM 860 C VAL B 337 2.784 -5.519 -4.644 1.00 0.00 C ATOM 861 O VAL B 337 2.605 -5.429 -5.851 1.00 0.00 O ATOM 862 CB VAL B 337 4.037 -3.562 -3.764 1.00 0.00 C ATOM 863 CG1 VAL B 337 3.233 -3.308 -2.490 1.00 0.00 C ATOM 864 CG2 VAL B 337 5.471 -3.094 -3.576 1.00 0.00 C ATOM 0 H VAL B 337 4.795 -4.917 -6.019 1.00 0.00 H new ATOM 0 HA VAL B 337 4.306 -5.580 -3.153 1.00 0.00 H new ATOM 0 HB VAL B 337 3.553 -3.018 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL B 337 3.209 -2.238 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL B 337 2.215 -3.675 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL B 337 3.700 -3.830 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL B 337 5.479 -2.028 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL B 337 5.928 -3.643 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL B 337 6.036 -3.275 -4.491 1.00 0.00 H new ATOM 874 N MET B 338 1.905 -6.091 -3.839 1.00 0.00 N ATOM 875 CA MET B 338 0.694 -6.624 -4.447 1.00 0.00 C ATOM 876 C MET B 338 -0.508 -6.668 -3.524 1.00 0.00 C ATOM 877 O MET B 338 -0.382 -6.875 -2.323 1.00 0.00 O ATOM 878 CB MET B 338 0.961 -8.042 -4.950 1.00 0.00 C ATOM 879 CG MET B 338 1.984 -8.748 -4.057 1.00 0.00 C ATOM 880 SD MET B 338 2.382 -10.368 -4.755 1.00 0.00 S ATOM 881 CE MET B 338 2.760 -11.206 -3.198 1.00 0.00 C ATOM 0 H MET B 338 1.992 -6.196 -2.828 1.00 0.00 H new ATOM 0 HA MET B 338 0.446 -5.938 -5.257 1.00 0.00 H new ATOM 0 HB2 MET B 338 0.030 -8.609 -4.965 1.00 0.00 H new ATOM 0 HB3 MET B 338 1.329 -8.006 -5.975 1.00 0.00 H new ATOM 0 HG2 MET B 338 2.888 -8.144 -3.974 1.00 0.00 H new ATOM 0 HG3 MET B 338 1.584 -8.863 -3.049 1.00 0.00 H new ATOM 0 HE1 MET B 338 3.253 -12.156 -3.406 1.00 0.00 H new ATOM 0 HE2 MET B 338 3.420 -10.579 -2.598 1.00 0.00 H new ATOM 0 HE3 MET B 338 1.836 -11.389 -2.650 1.00 0.00 H new ATOM 891 N ARG B 339 -1.686 -6.548 -4.134 1.00 0.00 N ATOM 892 CA ARG B 339 -2.928 -6.645 -3.392 1.00 0.00 C ATOM 893 C ARG B 339 -3.446 -8.063 -3.505 1.00 0.00 C ATOM 894 O ARG B 339 -3.911 -8.487 -4.566 1.00 0.00 O ATOM 895 CB ARG B 339 -3.969 -5.680 -3.947 1.00 0.00 C ATOM 896 CG ARG B 339 -3.381 -4.272 -3.998 1.00 0.00 C ATOM 897 CD ARG B 339 -4.421 -3.303 -4.560 1.00 0.00 C ATOM 898 NE ARG B 339 -4.591 -2.166 -3.660 1.00 0.00 N ATOM 899 CZ ARG B 339 -3.554 -1.422 -3.281 1.00 0.00 C ATOM 900 NH1 ARG B 339 -2.355 -1.694 -3.720 1.00 0.00 N ATOM 901 NH2 ARG B 339 -3.735 -0.419 -2.467 1.00 0.00 N1+ ATOM 0 H ARG B 339 -1.800 -6.384 -5.134 1.00 0.00 H new ATOM 0 HA ARG B 339 -2.743 -6.386 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG B 339 -4.276 -5.994 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG B 339 -4.861 -5.691 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG B 339 -3.078 -3.957 -3.000 1.00 0.00 H new ATOM 0 HG3 ARG B 339 -2.486 -4.263 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG B 339 -4.108 -2.953 -5.544 1.00 0.00 H new ATOM 0 HD3 ARG B 339 -5.373 -3.817 -4.692 1.00 0.00 H new ATOM 0 HE ARG B 339 -5.523 -1.937 -3.315 1.00 0.00 H new ATOM 0 HH11 ARG B 339 -2.210 -2.479 -4.355 1.00 0.00 H new ATOM 0 HH12 ARG B 339 -1.563 -1.122 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG B 339 -4.670 -0.205 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG B 339 -2.941 0.151 -2.176 1.00 0.00 H new ATOM 915 N VAL B 340 -3.328 -8.792 -2.414 1.00 0.00 N ATOM 916 CA VAL B 340 -3.749 -10.173 -2.366 1.00 0.00 C ATOM 917 C VAL B 340 -5.148 -10.303 -1.794 1.00 0.00 C ATOM 918 O VAL B 340 -5.587 -9.481 -0.993 1.00 0.00 O ATOM 919 CB VAL B 340 -2.747 -10.987 -1.560 1.00 0.00 C ATOM 920 CG1 VAL B 340 -2.907 -12.455 -1.893 1.00 0.00 C ATOM 921 CG2 VAL B 340 -1.339 -10.545 -1.923 1.00 0.00 C ATOM 0 H VAL B 340 -2.938 -8.443 -1.539 1.00 0.00 H new ATOM 0 HA VAL B 340 -3.781 -10.564 -3.383 1.00 0.00 H new ATOM 0 HB VAL B 340 -2.922 -10.832 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL B 340 -2.190 -13.039 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL B 340 -3.919 -12.776 -1.646 1.00 0.00 H new ATOM 0 HG13 VAL B 340 -2.728 -12.608 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL B 340 -0.616 -11.125 -1.349 1.00 0.00 H new ATOM 0 HG22 VAL B 340 -1.170 -10.707 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL B 340 -1.219 -9.486 -1.693 1.00 0.00 H new ATOM 931 N ASP B 341 -5.854 -11.332 -2.244 1.00 0.00 N ATOM 932 CA ASP B 341 -7.219 -11.556 -1.809 1.00 0.00 C ATOM 933 C ASP B 341 -7.248 -12.392 -0.545 1.00 0.00 C ATOM 934 O ASP B 341 -7.280 -13.610 -0.602 1.00 0.00 O ATOM 935 CB ASP B 341 -8.010 -12.261 -2.910 1.00 0.00 C ATOM 936 CG ASP B 341 -9.506 -12.089 -2.669 1.00 0.00 C ATOM 937 OD1 ASP B 341 -9.865 -11.640 -1.592 1.00 0.00 O1- ATOM 938 OD2 ASP B 341 -10.271 -12.406 -3.565 1.00 0.00 O ATOM 0 H ASP B 341 -5.502 -12.021 -2.908 1.00 0.00 H new ATOM 0 HA ASP B 341 -7.675 -10.589 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP B 341 -7.740 -11.850 -3.883 1.00 0.00 H new ATOM 0 HB3 ASP B 341 -7.756 -13.321 -2.930 1.00 0.00 H new ATOM 943 N GLU B 342 -7.246 -11.714 0.588 1.00 0.00 N ATOM 944 CA GLU B 342 -7.282 -12.370 1.892 1.00 0.00 C ATOM 945 C GLU B 342 -8.140 -13.624 1.837 1.00 0.00 C ATOM 946 O GLU B 342 -7.925 -14.580 2.582 1.00 0.00 O ATOM 947 CB GLU B 342 -7.885 -11.388 2.906 1.00 0.00 C ATOM 948 CG GLU B 342 -7.252 -11.555 4.286 1.00 0.00 C ATOM 949 CD GLU B 342 -8.323 -11.425 5.364 1.00 0.00 C ATOM 950 OE1 GLU B 342 -8.703 -10.304 5.660 1.00 0.00 O1- ATOM 951 OE2 GLU B 342 -8.747 -12.448 5.878 1.00 0.00 O ATOM 0 H GLU B 342 -7.220 -10.695 0.636 1.00 0.00 H new ATOM 0 HA GLU B 342 -6.271 -12.656 2.183 1.00 0.00 H new ATOM 0 HB2 GLU B 342 -7.737 -10.366 2.557 1.00 0.00 H new ATOM 0 HB3 GLU B 342 -8.961 -11.549 2.975 1.00 0.00 H new ATOM 0 HG2 GLU B 342 -6.766 -12.528 4.358 1.00 0.00 H new ATOM 0 HG3 GLU B 342 -6.479 -10.801 4.435 1.00 0.00 H new ATOM 958 N LYS B 343 -9.104 -13.601 0.943 1.00 0.00 N ATOM 959 CA LYS B 343 -10.010 -14.720 0.760 1.00 0.00 C ATOM 960 C LYS B 343 -9.343 -15.870 0.013 1.00 0.00 C ATOM 961 O LYS B 343 -9.522 -17.036 0.366 1.00 0.00 O ATOM 962 CB LYS B 343 -11.218 -14.256 -0.042 1.00 0.00 C ATOM 963 CG LYS B 343 -11.955 -13.164 0.729 1.00 0.00 C ATOM 964 CD LYS B 343 -12.899 -12.424 -0.219 1.00 0.00 C ATOM 965 CE LYS B 343 -14.052 -11.813 0.579 1.00 0.00 C ATOM 966 NZ LYS B 343 -13.524 -11.223 1.841 1.00 0.00 N1+ ATOM 0 H LYS B 343 -9.284 -12.811 0.323 1.00 0.00 H new ATOM 0 HA LYS B 343 -10.307 -15.076 1.746 1.00 0.00 H new ATOM 0 HB2 LYS B 343 -10.899 -13.878 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS B 343 -11.886 -15.096 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS B 343 -12.518 -13.602 1.553 1.00 0.00 H new ATOM 0 HG3 LYS B 343 -11.241 -12.467 1.167 1.00 0.00 H new ATOM 0 HD2 LYS B 343 -12.357 -11.642 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS B 343 -13.288 -13.111 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS B 343 -14.552 -11.046 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS B 343 -14.797 -12.576 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 343 -14.182 -10.495 2.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 343 -13.426 -11.969 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 343 -12.595 -10.792 1.661 1.00 0.00 H new ATOM 980 N THR B 344 -8.610 -15.538 -1.047 1.00 0.00 N ATOM 981 CA THR B 344 -7.965 -16.552 -1.868 1.00 0.00 C ATOM 982 C THR B 344 -6.448 -16.567 -1.686 1.00 0.00 C ATOM 983 O THR B 344 -5.786 -17.511 -2.115 1.00 0.00 O ATOM 984 CB THR B 344 -8.301 -16.293 -3.335 1.00 0.00 C ATOM 985 OG1 THR B 344 -7.340 -15.408 -3.892 1.00 0.00 O ATOM 986 CG2 THR B 344 -9.694 -15.671 -3.439 1.00 0.00 C ATOM 0 H THR B 344 -8.450 -14.579 -1.354 1.00 0.00 H new ATOM 0 HA THR B 344 -8.340 -17.526 -1.553 1.00 0.00 H new ATOM 0 HB THR B 344 -8.285 -17.235 -3.883 1.00 0.00 H new ATOM 0 HG1 THR B 344 -7.757 -14.877 -4.602 1.00 0.00 H new ATOM 0 HG21 THR B 344 -9.933 -15.487 -4.486 1.00 0.00 H new ATOM 0 HG22 THR B 344 -10.430 -16.353 -3.014 1.00 0.00 H new ATOM 0 HG23 THR B 344 -9.714 -14.729 -2.891 1.00 0.00 H new ATOM 994 N LYS B 345 -5.896 -15.526 -1.064 1.00 0.00 N ATOM 995 CA LYS B 345 -4.460 -15.455 -0.854 1.00 0.00 C ATOM 996 C LYS B 345 -3.748 -15.281 -2.189 1.00 0.00 C ATOM 997 O LYS B 345 -2.524 -15.168 -2.244 1.00 0.00 O ATOM 998 CB LYS B 345 -3.976 -16.727 -0.168 1.00 0.00 C ATOM 999 CG LYS B 345 -2.669 -16.451 0.578 1.00 0.00 C ATOM 1000 CD LYS B 345 -2.179 -17.742 1.238 1.00 0.00 C ATOM 1001 CE LYS B 345 -1.658 -17.434 2.643 1.00 0.00 C ATOM 1002 NZ LYS B 345 -0.843 -18.583 3.133 1.00 0.00 N1+ ATOM 0 H LYS B 345 -6.420 -14.729 -0.701 1.00 0.00 H new ATOM 0 HA LYS B 345 -4.234 -14.599 -0.218 1.00 0.00 H new ATOM 0 HB2 LYS B 345 -4.734 -17.086 0.529 1.00 0.00 H new ATOM 0 HB3 LYS B 345 -3.824 -17.514 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS B 345 -1.915 -16.074 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS B 345 -2.824 -15.680 1.332 1.00 0.00 H new ATOM 0 HD2 LYS B 345 -2.992 -18.466 1.291 1.00 0.00 H new ATOM 0 HD3 LYS B 345 -1.389 -18.193 0.637 1.00 0.00 H new ATOM 0 HE2 LYS B 345 -1.055 -16.526 2.628 1.00 0.00 H new ATOM 0 HE3 LYS B 345 -2.492 -17.251 3.320 1.00 0.00 H new ATOM 0 HZ1 LYS B 345 -0.488 -18.375 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 345 -1.432 -19.439 3.162 1.00 0.00 H new ATOM 0 HZ3 LYS B 345 -0.039 -18.737 2.491 1.00 0.00 H new ATOM 1016 N GLU B 346 -4.532 -15.236 -3.262 1.00 0.00 N ATOM 1017 CA GLU B 346 -3.978 -15.047 -4.590 1.00 0.00 C ATOM 1018 C GLU B 346 -3.834 -13.564 -4.866 1.00 0.00 C ATOM 1019 O GLU B 346 -4.545 -12.740 -4.291 1.00 0.00 O ATOM 1020 CB GLU B 346 -4.880 -15.678 -5.643 1.00 0.00 C ATOM 1021 CG GLU B 346 -5.166 -17.129 -5.261 1.00 0.00 C ATOM 1022 CD GLU B 346 -5.052 -18.023 -6.491 1.00 0.00 C ATOM 1023 OE1 GLU B 346 -3.944 -18.423 -6.808 1.00 0.00 O ATOM 1024 OE2 GLU B 346 -6.074 -18.296 -7.097 1.00 0.00 O1- ATOM 0 H GLU B 346 -5.547 -15.328 -3.234 1.00 0.00 H new ATOM 0 HA GLU B 346 -3.002 -15.529 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU B 346 -5.813 -15.120 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU B 346 -4.401 -15.635 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU B 346 -4.463 -17.458 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU B 346 -6.165 -17.211 -4.833 1.00 0.00 H new ATOM 1031 N VAL B 347 -2.891 -13.227 -5.718 1.00 0.00 N ATOM 1032 CA VAL B 347 -2.636 -11.829 -6.029 1.00 0.00 C ATOM 1033 C VAL B 347 -3.598 -11.287 -7.060 1.00 0.00 C ATOM 1034 O VAL B 347 -3.840 -11.901 -8.100 1.00 0.00 O ATOM 1035 CB VAL B 347 -1.206 -11.633 -6.501 1.00 0.00 C ATOM 1036 CG1 VAL B 347 -1.016 -10.174 -6.928 1.00 0.00 C ATOM 1037 CG2 VAL B 347 -0.273 -11.936 -5.336 1.00 0.00 C ATOM 0 H VAL B 347 -2.291 -13.891 -6.206 1.00 0.00 H new ATOM 0 HA VAL B 347 -2.789 -11.269 -5.107 1.00 0.00 H new ATOM 0 HB VAL B 347 -0.990 -12.292 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL B 347 0.009 -10.025 -7.268 1.00 0.00 H new ATOM 0 HG12 VAL B 347 -1.705 -9.940 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL B 347 -1.216 -9.518 -6.081 1.00 0.00 H new ATOM 0 HG21 VAL B 347 0.761 -11.801 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL B 347 -0.490 -11.259 -4.510 1.00 0.00 H new ATOM 0 HG23 VAL B 347 -0.421 -12.965 -5.009 1.00 0.00 H new ATOM 1047 N ILE B 348 -4.117 -10.105 -6.767 1.00 0.00 N ATOM 1048 CA ILE B 348 -5.025 -9.441 -7.670 1.00 0.00 C ATOM 1049 C ILE B 348 -4.272 -8.327 -8.364 1.00 0.00 C ATOM 1050 O ILE B 348 -4.574 -7.975 -9.504 1.00 0.00 O ATOM 1051 CB ILE B 348 -6.220 -8.866 -6.904 1.00 0.00 C ATOM 1052 CG1 ILE B 348 -7.289 -9.952 -6.740 1.00 0.00 C ATOM 1053 CG2 ILE B 348 -6.803 -7.684 -7.682 1.00 0.00 C ATOM 1054 CD1 ILE B 348 -8.199 -9.972 -7.971 1.00 0.00 C ATOM 0 H ILE B 348 -3.921 -9.591 -5.908 1.00 0.00 H new ATOM 0 HA ILE B 348 -5.405 -10.155 -8.401 1.00 0.00 H new ATOM 0 HB ILE B 348 -5.895 -8.526 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE B 348 -6.815 -10.925 -6.610 1.00 0.00 H new ATOM 0 HG13 ILE B 348 -7.879 -9.763 -5.843 1.00 0.00 H new ATOM 0 HG21 ILE B 348 -7.654 -7.274 -7.138 1.00 0.00 H new ATOM 0 HG22 ILE B 348 -6.041 -6.913 -7.798 1.00 0.00 H new ATOM 0 HG23 ILE B 348 -7.130 -8.022 -8.665 1.00 0.00 H new ATOM 0 HD11 ILE B 348 -8.957 -10.745 -7.850 1.00 0.00 H new ATOM 0 HD12 ILE B 348 -8.684 -9.002 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE B 348 -7.604 -10.183 -8.860 1.00 0.00 H new ATOM 1066 N GLN B 349 -3.292 -7.762 -7.658 1.00 0.00 N ATOM 1067 CA GLN B 349 -2.518 -6.678 -8.219 1.00 0.00 C ATOM 1068 C GLN B 349 -1.049 -6.820 -7.893 1.00 0.00 C ATOM 1069 O GLN B 349 -0.679 -7.447 -6.905 1.00 0.00 O ATOM 1070 CB GLN B 349 -2.999 -5.392 -7.615 1.00 0.00 C ATOM 1071 CG GLN B 349 -2.270 -4.209 -8.234 1.00 0.00 C ATOM 1072 CD GLN B 349 -3.046 -2.923 -7.966 1.00 0.00 C ATOM 1073 OE1 GLN B 349 -2.622 -2.096 -7.161 1.00 0.00 O ATOM 1074 NE2 GLN B 349 -4.166 -2.705 -8.600 1.00 0.00 N ATOM 0 H GLN B 349 -3.026 -8.038 -6.713 1.00 0.00 H new ATOM 0 HA GLN B 349 -2.642 -6.692 -9.302 1.00 0.00 H new ATOM 0 HB2 GLN B 349 -4.073 -5.288 -7.772 1.00 0.00 H new ATOM 0 HB3 GLN B 349 -2.835 -5.405 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN B 349 -1.266 -4.131 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN B 349 -2.159 -4.360 -9.308 1.00 0.00 H new ATOM 0 HE21 GLN B 349 -4.516 -3.392 -9.268 1.00 0.00 H new ATOM 0 HE22 GLN B 349 -4.691 -1.848 -8.428 1.00 0.00 H new ATOM 1083 N GLU B 350 -0.230 -6.187 -8.715 1.00 0.00 N ATOM 1084 CA GLU B 350 1.208 -6.193 -8.511 1.00 0.00 C ATOM 1085 C GLU B 350 1.819 -4.865 -8.887 1.00 0.00 C ATOM 1086 O GLU B 350 1.340 -4.169 -9.783 1.00 0.00 O ATOM 1087 CB GLU B 350 1.901 -7.256 -9.353 1.00 0.00 C ATOM 1088 CG GLU B 350 1.388 -8.639 -8.985 1.00 0.00 C ATOM 1089 CD GLU B 350 1.935 -9.684 -9.951 1.00 0.00 C ATOM 1090 OE1 GLU B 350 3.078 -10.078 -9.780 1.00 0.00 O1- ATOM 1091 OE2 GLU B 350 1.204 -10.076 -10.844 1.00 0.00 O ATOM 0 H GLU B 350 -0.538 -5.661 -9.533 1.00 0.00 H new ATOM 0 HA GLU B 350 1.354 -6.402 -7.451 1.00 0.00 H new ATOM 0 HB2 GLU B 350 1.723 -7.064 -10.411 1.00 0.00 H new ATOM 0 HB3 GLU B 350 2.979 -7.207 -9.197 1.00 0.00 H new ATOM 0 HG2 GLU B 350 1.687 -8.885 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU B 350 0.298 -8.648 -9.009 1.00 0.00 H new ATOM 1098 N TRP B 351 2.908 -4.545 -8.218 1.00 0.00 N ATOM 1099 CA TRP B 351 3.630 -3.313 -8.516 1.00 0.00 C ATOM 1100 C TRP B 351 5.063 -3.388 -8.014 1.00 0.00 C ATOM 1101 O TRP B 351 5.307 -3.643 -6.842 1.00 0.00 O ATOM 1102 CB TRP B 351 2.916 -2.119 -7.907 1.00 0.00 C ATOM 1103 CG TRP B 351 2.501 -1.198 -9.001 1.00 0.00 C ATOM 1104 CD1 TRP B 351 3.335 -0.604 -9.878 1.00 0.00 C ATOM 1105 CD2 TRP B 351 1.157 -0.770 -9.364 1.00 0.00 C ATOM 1106 NE1 TRP B 351 2.588 0.164 -10.750 1.00 0.00 N ATOM 1107 CE2 TRP B 351 1.246 0.099 -10.474 1.00 0.00 C ATOM 1108 CE3 TRP B 351 -0.114 -1.049 -8.841 1.00 0.00 C ATOM 1109 CZ2 TRP B 351 0.116 0.674 -11.049 1.00 0.00 C ATOM 1110 CZ3 TRP B 351 -1.260 -0.466 -9.415 1.00 0.00 C ATOM 1111 CH2 TRP B 351 -1.142 0.393 -10.520 1.00 0.00 C ATOM 0 H TRP B 351 3.313 -5.110 -7.472 1.00 0.00 H new ATOM 0 HA TRP B 351 3.656 -3.188 -9.599 1.00 0.00 H new ATOM 0 HB2 TRP B 351 2.045 -2.449 -7.341 1.00 0.00 H new ATOM 0 HB3 TRP B 351 3.574 -1.602 -7.208 1.00 0.00 H new ATOM 0 HD1 TRP B 351 4.410 -0.711 -9.896 1.00 0.00 H new ATOM 0 HE1 TRP B 351 2.987 0.715 -11.510 1.00 0.00 H new ATOM 0 HE3 TRP B 351 -0.214 -1.713 -7.995 1.00 0.00 H new ATOM 0 HZ2 TRP B 351 0.214 1.333 -11.899 1.00 0.00 H new ATOM 0 HZ3 TRP B 351 -2.235 -0.681 -9.003 1.00 0.00 H new ATOM 0 HH2 TRP B 351 -2.025 0.835 -10.959 1.00 0.00 H new ATOM 1122 N SER B 352 6.012 -3.172 -8.917 1.00 0.00 N ATOM 1123 CA SER B 352 7.414 -3.248 -8.567 1.00 0.00 C ATOM 1124 C SER B 352 7.706 -2.517 -7.278 1.00 0.00 C ATOM 1125 O SER B 352 7.187 -1.432 -7.025 1.00 0.00 O ATOM 1126 CB SER B 352 8.278 -2.662 -9.672 1.00 0.00 C ATOM 1127 OG SER B 352 7.453 -1.990 -10.615 1.00 0.00 O ATOM 0 H SER B 352 5.831 -2.943 -9.894 1.00 0.00 H new ATOM 0 HA SER B 352 7.651 -4.304 -8.435 1.00 0.00 H new ATOM 0 HB2 SER B 352 9.005 -1.968 -9.250 1.00 0.00 H new ATOM 0 HB3 SER B 352 8.842 -3.454 -10.166 1.00 0.00 H new ATOM 0 HG SER B 352 7.732 -2.230 -11.523 1.00 0.00 H new ATOM 1133 N LEU B 353 8.577 -3.111 -6.490 1.00 0.00 N ATOM 1134 CA LEU B 353 8.996 -2.521 -5.256 1.00 0.00 C ATOM 1135 C LEU B 353 10.118 -1.561 -5.607 1.00 0.00 C ATOM 1136 O LEU B 353 10.225 -0.462 -5.065 1.00 0.00 O ATOM 1137 CB LEU B 353 9.479 -3.644 -4.331 1.00 0.00 C ATOM 1138 CG LEU B 353 9.218 -3.316 -2.862 1.00 0.00 C ATOM 1139 CD1 LEU B 353 9.379 -4.574 -2.041 1.00 0.00 C ATOM 1140 CD2 LEU B 353 10.236 -2.320 -2.370 1.00 0.00 C ATOM 0 H LEU B 353 9.008 -4.013 -6.694 1.00 0.00 H new ATOM 0 HA LEU B 353 8.198 -1.984 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU B 353 8.973 -4.574 -4.592 1.00 0.00 H new ATOM 0 HB3 LEU B 353 10.546 -3.808 -4.484 1.00 0.00 H new ATOM 0 HG LEU B 353 8.212 -2.908 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU B 353 9.194 -4.349 -0.991 1.00 0.00 H new ATOM 0 HD12 LEU B 353 8.666 -5.325 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU B 353 10.393 -4.957 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU B 353 10.044 -2.091 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU B 353 11.236 -2.741 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU B 353 10.166 -1.406 -2.960 1.00 0.00 H new ATOM 1152 N THR B 354 10.915 -1.979 -6.586 1.00 0.00 N ATOM 1153 CA THR B 354 12.004 -1.149 -7.079 1.00 0.00 C ATOM 1154 C THR B 354 11.450 -0.012 -7.909 1.00 0.00 C ATOM 1155 O THR B 354 12.204 0.720 -8.551 1.00 0.00 O ATOM 1156 CB THR B 354 12.963 -1.983 -7.927 1.00 0.00 C ATOM 1157 OG1 THR B 354 14.186 -1.278 -8.090 1.00 0.00 O ATOM 1158 CG2 THR B 354 12.334 -2.242 -9.297 1.00 0.00 C ATOM 0 H THR B 354 10.826 -2.883 -7.050 1.00 0.00 H new ATOM 0 HA THR B 354 12.547 -0.742 -6.226 1.00 0.00 H new ATOM 0 HB THR B 354 13.157 -2.934 -7.431 1.00 0.00 H new ATOM 0 HG1 THR B 354 14.349 -0.719 -7.302 1.00 0.00 H new ATOM 0 HG21 THR B 354 13.016 -2.837 -9.904 1.00 0.00 H new ATOM 0 HG22 THR B 354 11.396 -2.782 -9.170 1.00 0.00 H new ATOM 0 HG23 THR B 354 12.141 -1.291 -9.794 1.00 0.00 H new ATOM 1166 N ASN B 355 10.131 0.146 -7.877 1.00 0.00 N ATOM 1167 CA ASN B 355 9.499 1.225 -8.621 1.00 0.00 C ATOM 1168 C ASN B 355 8.936 2.253 -7.664 1.00 0.00 C ATOM 1169 O ASN B 355 8.474 3.311 -8.080 1.00 0.00 O ATOM 1170 CB ASN B 355 8.373 0.693 -9.506 1.00 0.00 C ATOM 1171 CG ASN B 355 8.957 0.122 -10.795 1.00 0.00 C ATOM 1172 OD1 ASN B 355 10.115 -0.479 -10.764 1.00 0.00 O flip ATOM 1173 ND2 ASN B 355 8.343 0.227 -11.856 1.00 0.00 N flip ATOM 0 H ASN B 355 9.489 -0.449 -7.353 1.00 0.00 H new ATOM 0 HA ASN B 355 10.257 1.686 -9.255 1.00 0.00 H new ATOM 0 HB2 ASN B 355 7.814 -0.078 -8.976 1.00 0.00 H new ATOM 0 HB3 ASN B 355 7.670 1.493 -9.737 1.00 0.00 H new ATOM 0 HD21 ASN B 355 7.438 0.697 -11.877 1.00 0.00 H new ATOM 0 HD22 ASN B 355 8.739 -0.156 -12.714 1.00 0.00 H new ATOM 1180 N ILE B 356 8.971 1.941 -6.379 1.00 0.00 N ATOM 1181 CA ILE B 356 8.441 2.850 -5.391 1.00 0.00 C ATOM 1182 C ILE B 356 9.108 4.222 -5.468 1.00 0.00 C ATOM 1183 O ILE B 356 10.294 4.326 -5.778 1.00 0.00 O ATOM 1184 CB ILE B 356 8.629 2.231 -4.026 1.00 0.00 C ATOM 1185 CG1 ILE B 356 7.715 1.006 -3.925 1.00 0.00 C ATOM 1186 CG2 ILE B 356 8.250 3.258 -2.973 1.00 0.00 C ATOM 1187 CD1 ILE B 356 7.951 0.284 -2.600 1.00 0.00 C ATOM 0 H ILE B 356 9.357 1.075 -6.004 1.00 0.00 H new ATOM 0 HA ILE B 356 7.380 3.011 -5.584 1.00 0.00 H new ATOM 0 HB ILE B 356 9.664 1.926 -3.872 1.00 0.00 H new ATOM 0 HG12 ILE B 356 6.672 1.313 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE B 356 7.908 0.329 -4.757 1.00 0.00 H new ATOM 0 HG21 ILE B 356 8.380 2.827 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE B 356 8.889 4.135 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE B 356 7.209 3.550 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE B 356 7.296 -0.585 -2.538 1.00 0.00 H new ATOM 0 HD12 ILE B 356 8.990 -0.039 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE B 356 7.735 0.961 -1.773 1.00 0.00 H new ATOM 1199 N LYS B 357 8.335 5.278 -5.173 1.00 0.00 N ATOM 1200 CA LYS B 357 8.872 6.639 -5.198 1.00 0.00 C ATOM 1201 C LYS B 357 9.015 7.145 -3.768 1.00 0.00 C ATOM 1202 O LYS B 357 10.057 7.671 -3.378 1.00 0.00 O ATOM 1203 CB LYS B 357 7.960 7.559 -6.022 1.00 0.00 C ATOM 1204 CG LYS B 357 8.804 8.655 -6.675 1.00 0.00 C ATOM 1205 CD LYS B 357 7.890 9.628 -7.422 1.00 0.00 C ATOM 1206 CE LYS B 357 8.599 10.130 -8.682 1.00 0.00 C ATOM 1207 NZ LYS B 357 8.871 8.981 -9.592 1.00 0.00 N1+ ATOM 0 H LYS B 357 7.349 5.214 -4.918 1.00 0.00 H new ATOM 0 HA LYS B 357 9.853 6.638 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS B 357 7.438 6.983 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS B 357 7.198 8.004 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS B 357 9.377 9.188 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS B 357 9.523 8.213 -7.365 1.00 0.00 H new ATOM 0 HD2 LYS B 357 6.956 9.133 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS B 357 7.632 10.469 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS B 357 7.981 10.871 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS B 357 9.533 10.624 -8.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 357 9.820 9.083 -10.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 357 8.821 8.093 -9.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 357 8.162 8.965 -10.353 1.00 0.00 H new ATOM 1221 N ARG B 358 7.971 6.925 -2.986 1.00 0.00 N ATOM 1222 CA ARG B 358 7.964 7.286 -1.585 1.00 0.00 C ATOM 1223 C ARG B 358 6.683 6.728 -0.974 1.00 0.00 C ATOM 1224 O ARG B 358 5.621 6.794 -1.571 1.00 0.00 O ATOM 1225 CB ARG B 358 8.041 8.803 -1.407 1.00 0.00 C ATOM 1226 CG ARG B 358 7.047 9.489 -2.332 1.00 0.00 C ATOM 1227 CD ARG B 358 7.354 10.978 -2.408 1.00 0.00 C ATOM 1228 NE ARG B 358 6.117 11.738 -2.543 1.00 0.00 N ATOM 1229 CZ ARG B 358 5.348 11.618 -3.622 1.00 0.00 C ATOM 1230 NH1 ARG B 358 5.700 10.817 -4.590 1.00 0.00 N ATOM 1231 NH2 ARG B 358 4.240 12.303 -3.712 1.00 0.00 N1+ ATOM 0 H ARG B 358 7.106 6.491 -3.308 1.00 0.00 H new ATOM 0 HA ARG B 358 8.836 6.867 -1.083 1.00 0.00 H new ATOM 0 HB2 ARG B 358 7.827 9.067 -0.371 1.00 0.00 H new ATOM 0 HB3 ARG B 358 9.051 9.152 -1.623 1.00 0.00 H new ATOM 0 HG2 ARG B 358 7.098 9.047 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG B 358 6.031 9.336 -1.967 1.00 0.00 H new ATOM 0 HD2 ARG B 358 7.888 11.293 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG B 358 8.008 11.180 -3.256 1.00 0.00 H new ATOM 0 HE ARG B 358 5.836 12.373 -1.796 1.00 0.00 H new ATOM 0 HH11 ARG B 358 6.566 10.282 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG B 358 5.110 10.726 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG B 358 3.965 12.929 -2.955 1.00 0.00 H new ATOM 0 HH22 ARG B 358 3.650 12.212 -4.539 1.00 0.00 H new ATOM 1245 N TRP B 359 6.806 6.137 0.186 1.00 0.00 N ATOM 1246 CA TRP B 359 5.683 5.519 0.852 1.00 0.00 C ATOM 1247 C TRP B 359 5.438 6.186 2.195 1.00 0.00 C ATOM 1248 O TRP B 359 6.176 7.092 2.579 1.00 0.00 O ATOM 1249 CB TRP B 359 5.988 4.032 0.998 1.00 0.00 C ATOM 1250 CG TRP B 359 7.293 3.833 1.700 1.00 0.00 C ATOM 1251 CD1 TRP B 359 7.426 3.391 2.961 1.00 0.00 C ATOM 1252 CD2 TRP B 359 8.636 4.057 1.204 1.00 0.00 C ATOM 1253 NE1 TRP B 359 8.773 3.313 3.273 1.00 0.00 N ATOM 1254 CE2 TRP B 359 9.561 3.733 2.222 1.00 0.00 C ATOM 1255 CE3 TRP B 359 9.128 4.509 -0.015 1.00 0.00 C ATOM 1256 CZ2 TRP B 359 10.936 3.867 2.028 1.00 0.00 C ATOM 1257 CZ3 TRP B 359 10.508 4.639 -0.223 1.00 0.00 C ATOM 1258 CH2 TRP B 359 11.412 4.327 0.803 1.00 0.00 C ATOM 0 H TRP B 359 7.686 6.069 0.698 1.00 0.00 H new ATOM 0 HA TRP B 359 4.769 5.640 0.271 1.00 0.00 H new ATOM 0 HB2 TRP B 359 5.189 3.544 1.557 1.00 0.00 H new ATOM 0 HB3 TRP B 359 6.022 3.563 0.015 1.00 0.00 H new ATOM 0 HD1 TRP B 359 6.613 3.137 3.625 1.00 0.00 H new ATOM 0 HE1 TRP B 359 9.137 2.986 4.168 1.00 0.00 H new ATOM 0 HE3 TRP B 359 8.441 4.762 -0.809 1.00 0.00 H new ATOM 0 HZ2 TRP B 359 11.625 3.616 2.821 1.00 0.00 H new ATOM 0 HZ3 TRP B 359 10.877 4.981 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP B 359 12.474 4.443 0.643 1.00 0.00 H new ATOM 1269 N ALA B 360 4.390 5.773 2.899 1.00 0.00 N ATOM 1270 CA ALA B 360 4.094 6.412 4.169 1.00 0.00 C ATOM 1271 C ALA B 360 3.248 5.530 5.060 1.00 0.00 C ATOM 1272 O ALA B 360 2.026 5.463 4.928 1.00 0.00 O ATOM 1273 CB ALA B 360 3.367 7.723 3.927 1.00 0.00 C ATOM 0 H ALA B 360 3.753 5.026 2.623 1.00 0.00 H new ATOM 0 HA ALA B 360 5.042 6.594 4.675 1.00 0.00 H new ATOM 0 HB1 ALA B 360 3.147 8.199 4.883 1.00 0.00 H new ATOM 0 HB2 ALA B 360 3.996 8.383 3.329 1.00 0.00 H new ATOM 0 HB3 ALA B 360 2.435 7.530 3.395 1.00 0.00 H new ATOM 1279 N ALA B 361 3.920 4.875 5.975 1.00 0.00 N ATOM 1280 CA ALA B 361 3.267 4.007 6.925 1.00 0.00 C ATOM 1281 C ALA B 361 2.668 4.819 8.069 1.00 0.00 C ATOM 1282 O ALA B 361 3.229 5.839 8.475 1.00 0.00 O ATOM 1283 CB ALA B 361 4.266 3.010 7.482 1.00 0.00 C ATOM 0 H ALA B 361 4.933 4.928 6.082 1.00 0.00 H new ATOM 0 HA ALA B 361 2.465 3.475 6.413 1.00 0.00 H new ATOM 0 HB1 ALA B 361 3.768 2.357 8.199 1.00 0.00 H new ATOM 0 HB2 ALA B 361 4.674 2.411 6.668 1.00 0.00 H new ATOM 0 HB3 ALA B 361 5.075 3.545 7.980 1.00 0.00 H new ATOM 1289 N SER B 362 1.533 4.365 8.586 1.00 0.00 N ATOM 1290 CA SER B 362 0.873 5.053 9.684 1.00 0.00 C ATOM 1291 C SER B 362 0.449 4.035 10.748 1.00 0.00 C ATOM 1292 O SER B 362 0.591 2.829 10.547 1.00 0.00 O ATOM 1293 CB SER B 362 -0.340 5.808 9.146 1.00 0.00 C ATOM 1294 OG SER B 362 -0.292 7.157 9.588 1.00 0.00 O ATOM 0 H SER B 362 1.053 3.525 8.262 1.00 0.00 H new ATOM 0 HA SER B 362 1.558 5.766 10.142 1.00 0.00 H new ATOM 0 HB2 SER B 362 -0.351 5.771 8.057 1.00 0.00 H new ATOM 0 HB3 SER B 362 -1.259 5.334 9.490 1.00 0.00 H new ATOM 0 HG SER B 362 -1.202 7.479 9.756 1.00 0.00 H new ATOM 1300 N PRO B 363 -0.051 4.484 11.872 1.00 0.00 N ATOM 1301 CA PRO B 363 -0.476 3.575 12.968 1.00 0.00 C ATOM 1302 C PRO B 363 -1.821 2.923 12.681 1.00 0.00 C ATOM 1303 O PRO B 363 -2.262 2.038 13.409 1.00 0.00 O ATOM 1304 CB PRO B 363 -0.577 4.483 14.190 1.00 0.00 C ATOM 1305 CG PRO B 363 -0.731 5.878 13.676 1.00 0.00 C ATOM 1306 CD PRO B 363 -0.276 5.896 12.216 1.00 0.00 C ATOM 0 HA PRO B 363 0.226 2.752 13.100 1.00 0.00 H new ATOM 0 HB2 PRO B 363 -1.428 4.203 14.811 1.00 0.00 H new ATOM 0 HB3 PRO B 363 0.314 4.396 14.812 1.00 0.00 H new ATOM 0 HG2 PRO B 363 -1.769 6.201 13.756 1.00 0.00 H new ATOM 0 HG3 PRO B 363 -0.135 6.571 14.270 1.00 0.00 H new ATOM 0 HD2 PRO B 363 -1.033 6.344 11.572 1.00 0.00 H new ATOM 0 HD3 PRO B 363 0.635 6.482 12.093 1.00 0.00 H new ATOM 1314 N LYS B 364 -2.463 3.383 11.620 1.00 0.00 N ATOM 1315 CA LYS B 364 -3.767 2.864 11.225 1.00 0.00 C ATOM 1316 C LYS B 364 -3.785 2.509 9.753 1.00 0.00 C ATOM 1317 O LYS B 364 -4.622 1.732 9.301 1.00 0.00 O ATOM 1318 CB LYS B 364 -4.842 3.906 11.475 1.00 0.00 C ATOM 1319 CG LYS B 364 -4.643 4.510 12.859 1.00 0.00 C ATOM 1320 CD LYS B 364 -5.844 5.387 13.216 1.00 0.00 C ATOM 1321 CE LYS B 364 -5.439 6.383 14.304 1.00 0.00 C ATOM 1322 NZ LYS B 364 -6.590 6.609 15.223 1.00 0.00 N1+ ATOM 0 H LYS B 364 -2.102 4.119 11.012 1.00 0.00 H new ATOM 0 HA LYS B 364 -3.960 1.970 11.818 1.00 0.00 H new ATOM 0 HB2 LYS B 364 -4.793 4.686 10.715 1.00 0.00 H new ATOM 0 HB3 LYS B 364 -5.830 3.451 11.402 1.00 0.00 H new ATOM 0 HG2 LYS B 364 -4.526 3.718 13.599 1.00 0.00 H new ATOM 0 HG3 LYS B 364 -3.729 5.103 12.880 1.00 0.00 H new ATOM 0 HD2 LYS B 364 -6.195 5.920 12.332 1.00 0.00 H new ATOM 0 HD3 LYS B 364 -6.670 4.767 13.564 1.00 0.00 H new ATOM 0 HE2 LYS B 364 -4.584 6.001 14.862 1.00 0.00 H new ATOM 0 HE3 LYS B 364 -5.130 7.326 13.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 364 -6.316 7.286 15.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 364 -7.394 6.991 14.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 364 -6.865 5.708 15.663 1.00 0.00 H new ATOM 1336 N SER B 365 -2.871 3.093 9.004 1.00 0.00 N ATOM 1337 CA SER B 365 -2.818 2.836 7.576 1.00 0.00 C ATOM 1338 C SER B 365 -1.425 2.994 7.029 1.00 0.00 C ATOM 1339 O SER B 365 -0.531 3.514 7.688 1.00 0.00 O ATOM 1340 CB SER B 365 -3.759 3.778 6.835 1.00 0.00 C ATOM 1341 OG SER B 365 -3.430 5.123 7.155 1.00 0.00 O ATOM 0 H SER B 365 -2.164 3.740 9.352 1.00 0.00 H new ATOM 0 HA SER B 365 -3.130 1.803 7.422 1.00 0.00 H new ATOM 0 HB2 SER B 365 -3.678 3.618 5.760 1.00 0.00 H new ATOM 0 HB3 SER B 365 -4.792 3.569 7.112 1.00 0.00 H new ATOM 0 HG SER B 365 -4.034 5.730 6.678 1.00 0.00 H new ATOM 1347 N PHE B 366 -1.260 2.534 5.805 1.00 0.00 N ATOM 1348 CA PHE B 366 0.019 2.625 5.146 1.00 0.00 C ATOM 1349 C PHE B 366 -0.209 3.008 3.710 1.00 0.00 C ATOM 1350 O PHE B 366 -1.318 2.860 3.197 1.00 0.00 O ATOM 1351 CB PHE B 366 0.765 1.308 5.303 1.00 0.00 C ATOM 1352 CG PHE B 366 1.517 0.942 4.058 1.00 0.00 C ATOM 1353 CD1 PHE B 366 2.795 1.461 3.838 1.00 0.00 C ATOM 1354 CD2 PHE B 366 0.951 0.044 3.147 1.00 0.00 C ATOM 1355 CE1 PHE B 366 3.512 1.077 2.697 1.00 0.00 C ATOM 1356 CE2 PHE B 366 1.660 -0.334 2.008 1.00 0.00 C ATOM 1357 CZ PHE B 366 2.940 0.177 1.783 1.00 0.00 C ATOM 0 H PHE B 366 -1.996 2.095 5.251 1.00 0.00 H new ATOM 0 HA PHE B 366 0.646 3.395 5.597 1.00 0.00 H new ATOM 0 HB2 PHE B 366 1.460 1.382 6.139 1.00 0.00 H new ATOM 0 HB3 PHE B 366 0.057 0.516 5.546 1.00 0.00 H new ATOM 0 HD1 PHE B 366 3.228 2.155 4.544 1.00 0.00 H new ATOM 0 HD2 PHE B 366 -0.036 -0.357 3.326 1.00 0.00 H new ATOM 0 HE1 PHE B 366 4.502 1.472 2.521 1.00 0.00 H new ATOM 0 HE2 PHE B 366 1.220 -1.021 1.300 1.00 0.00 H new ATOM 0 HZ PHE B 366 3.492 -0.121 0.904 1.00 0.00 H new ATOM 1367 N THR B 367 0.796 3.593 3.087 1.00 0.00 N ATOM 1368 CA THR B 367 0.593 4.090 1.741 1.00 0.00 C ATOM 1369 C THR B 367 1.843 4.025 0.890 1.00 0.00 C ATOM 1370 O THR B 367 2.956 4.037 1.397 1.00 0.00 O ATOM 1371 CB THR B 367 0.123 5.538 1.842 1.00 0.00 C ATOM 1372 OG1 THR B 367 -1.182 5.578 2.400 1.00 0.00 O ATOM 1373 CG2 THR B 367 0.116 6.174 0.460 1.00 0.00 C ATOM 0 H THR B 367 1.729 3.733 3.474 1.00 0.00 H new ATOM 0 HA THR B 367 -0.148 3.456 1.254 1.00 0.00 H new ATOM 0 HB THR B 367 0.804 6.094 2.486 1.00 0.00 H new ATOM 0 HG1 THR B 367 -1.482 6.509 2.465 1.00 0.00 H new ATOM 0 HG21 THR B 367 -0.220 7.208 0.537 1.00 0.00 H new ATOM 0 HG22 THR B 367 1.123 6.150 0.043 1.00 0.00 H new ATOM 0 HG23 THR B 367 -0.560 5.620 -0.192 1.00 0.00 H new ATOM 1381 N LEU B 368 1.626 3.956 -0.417 1.00 0.00 N ATOM 1382 CA LEU B 368 2.709 3.887 -1.376 1.00 0.00 C ATOM 1383 C LEU B 368 2.593 4.973 -2.412 1.00 0.00 C ATOM 1384 O LEU B 368 1.501 5.206 -2.907 1.00 0.00 O ATOM 1385 CB LEU B 368 2.617 2.576 -2.113 1.00 0.00 C ATOM 1386 CG LEU B 368 3.374 1.540 -1.320 1.00 0.00 C ATOM 1387 CD1 LEU B 368 2.810 0.152 -1.639 1.00 0.00 C ATOM 1388 CD2 LEU B 368 4.864 1.624 -1.659 1.00 0.00 C ATOM 0 H LEU B 368 0.696 3.947 -0.836 1.00 0.00 H new ATOM 0 HA LEU B 368 3.647 3.994 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU B 368 1.575 2.278 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU B 368 3.037 2.672 -3.114 1.00 0.00 H new ATOM 0 HG LEU B 368 3.258 1.724 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU B 368 3.353 -0.601 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU B 368 1.754 0.118 -1.371 1.00 0.00 H new ATOM 0 HD13 LEU B 368 2.921 -0.050 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU B 368 5.410 0.875 -1.086 1.00 0.00 H new ATOM 0 HD22 LEU B 368 5.006 1.440 -2.724 1.00 0.00 H new ATOM 0 HD23 LEU B 368 5.239 2.617 -1.409 1.00 0.00 H new ATOM 1400 N ASP B 369 3.716 5.582 -2.806 1.00 0.00 N ATOM 1401 CA ASP B 369 3.656 6.578 -3.863 1.00 0.00 C ATOM 1402 C ASP B 369 4.464 6.141 -5.060 1.00 0.00 C ATOM 1403 O ASP B 369 5.667 6.380 -5.138 1.00 0.00 O ATOM 1404 CB ASP B 369 4.196 7.930 -3.418 1.00 0.00 C ATOM 1405 CG ASP B 369 3.653 9.029 -4.322 1.00 0.00 C ATOM 1406 OD1 ASP B 369 3.669 8.837 -5.527 1.00 0.00 O1- ATOM 1407 OD2 ASP B 369 3.232 10.046 -3.798 1.00 0.00 O ATOM 0 H ASP B 369 4.644 5.407 -2.421 1.00 0.00 H new ATOM 0 HA ASP B 369 2.601 6.676 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP B 369 3.910 8.123 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP B 369 5.285 7.925 -3.451 1.00 0.00 H new ATOM 1412 N PHE B 370 3.781 5.543 -6.003 1.00 0.00 N ATOM 1413 CA PHE B 370 4.429 5.144 -7.251 1.00 0.00 C ATOM 1414 C PHE B 370 3.564 5.445 -8.458 1.00 0.00 C ATOM 1415 O PHE B 370 2.718 4.638 -8.843 1.00 0.00 O ATOM 1416 CB PHE B 370 4.779 3.671 -7.301 1.00 0.00 C ATOM 1417 CG PHE B 370 5.263 3.350 -8.707 1.00 0.00 C ATOM 1418 CD1 PHE B 370 6.327 4.075 -9.283 1.00 0.00 C ATOM 1419 CD2 PHE B 370 4.636 2.344 -9.448 1.00 0.00 C ATOM 1420 CE1 PHE B 370 6.754 3.785 -10.583 1.00 0.00 C ATOM 1421 CE2 PHE B 370 5.068 2.062 -10.755 1.00 0.00 C ATOM 1422 CZ PHE B 370 6.123 2.782 -11.319 1.00 0.00 C ATOM 0 H PHE B 370 2.788 5.319 -5.943 1.00 0.00 H new ATOM 0 HA PHE B 370 5.347 5.731 -7.279 1.00 0.00 H new ATOM 0 HB2 PHE B 370 5.553 3.438 -6.569 1.00 0.00 H new ATOM 0 HB3 PHE B 370 3.909 3.064 -7.050 1.00 0.00 H new ATOM 0 HD1 PHE B 370 6.814 4.857 -8.718 1.00 0.00 H new ATOM 0 HD2 PHE B 370 3.820 1.784 -9.016 1.00 0.00 H new ATOM 0 HE1 PHE B 370 7.573 4.338 -11.018 1.00 0.00 H new ATOM 0 HE2 PHE B 370 4.582 1.285 -11.326 1.00 0.00 H new ATOM 0 HZ PHE B 370 6.450 2.562 -12.325 1.00 0.00 H new ATOM 1432 N GLY B 371 3.804 6.593 -9.069 1.00 0.00 N ATOM 1433 CA GLY B 371 3.056 6.975 -10.264 1.00 0.00 C ATOM 1434 C GLY B 371 2.550 8.394 -10.145 1.00 0.00 C ATOM 1435 O GLY B 371 1.696 8.830 -10.908 1.00 0.00 O ATOM 0 H GLY B 371 4.502 7.272 -8.765 1.00 0.00 H new ATOM 0 HA2 GLY B 371 3.694 6.883 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY B 371 2.216 6.295 -10.407 1.00 0.00 H new ATOM 1439 N ASP B 372 3.068 9.086 -9.152 1.00 0.00 N ATOM 1440 CA ASP B 372 2.663 10.462 -8.885 1.00 0.00 C ATOM 1441 C ASP B 372 2.517 11.269 -10.158 1.00 0.00 C ATOM 1442 O ASP B 372 1.880 12.323 -10.164 1.00 0.00 O ATOM 1443 CB ASP B 372 3.690 11.132 -7.976 1.00 0.00 C ATOM 1444 CG ASP B 372 3.098 12.382 -7.337 1.00 0.00 C ATOM 1445 OD1 ASP B 372 2.573 13.205 -8.068 1.00 0.00 O1- ATOM 1446 OD2 ASP B 372 3.178 12.500 -6.124 1.00 0.00 O ATOM 0 H ASP B 372 3.773 8.722 -8.511 1.00 0.00 H new ATOM 0 HA ASP B 372 1.689 10.429 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP B 372 4.008 10.435 -7.201 1.00 0.00 H new ATOM 0 HB3 ASP B 372 4.577 11.395 -8.551 1.00 0.00 H new ATOM 1451 N TYR B 373 3.073 10.766 -11.238 1.00 0.00 N ATOM 1452 CA TYR B 373 2.956 11.451 -12.503 1.00 0.00 C ATOM 1453 C TYR B 373 1.490 11.683 -12.771 1.00 0.00 C ATOM 1454 O TYR B 373 1.074 12.741 -13.246 1.00 0.00 O ATOM 1455 CB TYR B 373 3.577 10.599 -13.597 1.00 0.00 C ATOM 1456 CG TYR B 373 4.713 9.808 -12.997 1.00 0.00 C ATOM 1457 CD1 TYR B 373 5.803 10.480 -12.440 1.00 0.00 C ATOM 1458 CD2 TYR B 373 4.683 8.413 -13.007 1.00 0.00 C ATOM 1459 CE1 TYR B 373 6.868 9.758 -11.889 1.00 0.00 C ATOM 1460 CE2 TYR B 373 5.750 7.685 -12.462 1.00 0.00 C ATOM 1461 CZ TYR B 373 6.843 8.359 -11.903 1.00 0.00 C ATOM 1462 OH TYR B 373 7.895 7.645 -11.366 1.00 0.00 O ATOM 0 H TYR B 373 3.604 9.896 -11.265 1.00 0.00 H new ATOM 0 HA TYR B 373 3.479 12.407 -12.480 1.00 0.00 H new ATOM 0 HB2 TYR B 373 2.832 9.928 -14.024 1.00 0.00 H new ATOM 0 HB3 TYR B 373 3.941 11.229 -14.408 1.00 0.00 H new ATOM 0 HD1 TYR B 373 5.824 11.560 -12.434 1.00 0.00 H new ATOM 0 HD2 TYR B 373 3.838 7.894 -13.435 1.00 0.00 H new ATOM 0 HE1 TYR B 373 7.708 10.280 -11.454 1.00 0.00 H new ATOM 0 HE2 TYR B 373 5.729 6.605 -12.473 1.00 0.00 H new ATOM 0 HH TYR B 373 7.719 6.685 -11.456 1.00 0.00 H new ATOM 1472 N GLN B 374 0.713 10.688 -12.393 1.00 0.00 N ATOM 1473 CA GLN B 374 -0.727 10.752 -12.504 1.00 0.00 C ATOM 1474 C GLN B 374 -1.303 10.457 -11.136 1.00 0.00 C ATOM 1475 O GLN B 374 -1.399 11.342 -10.287 1.00 0.00 O ATOM 1476 CB GLN B 374 -1.226 9.730 -13.520 1.00 0.00 C ATOM 1477 CG GLN B 374 -0.334 8.486 -13.479 1.00 0.00 C ATOM 1478 CD GLN B 374 -1.152 7.251 -13.844 1.00 0.00 C ATOM 1479 OE1 GLN B 374 -2.285 7.098 -13.389 1.00 0.00 O ATOM 1480 NE2 GLN B 374 -0.642 6.353 -14.644 1.00 0.00 N ATOM 0 H GLN B 374 1.063 9.814 -12.001 1.00 0.00 H new ATOM 0 HA GLN B 374 -1.040 11.739 -12.845 1.00 0.00 H new ATOM 0 HB2 GLN B 374 -2.258 9.457 -13.299 1.00 0.00 H new ATOM 0 HB3 GLN B 374 -1.218 10.163 -14.520 1.00 0.00 H new ATOM 0 HG2 GLN B 374 0.498 8.601 -14.174 1.00 0.00 H new ATOM 0 HG3 GLN B 374 0.096 8.368 -12.484 1.00 0.00 H new ATOM 0 HE21 GLN B 374 0.297 6.480 -15.021 1.00 0.00 H new ATOM 0 HE22 GLN B 374 -1.183 5.525 -14.892 1.00 0.00 H new ATOM 1489 N ASP B 375 -1.591 9.191 -10.905 1.00 0.00 N ATOM 1490 CA ASP B 375 -2.037 8.753 -9.614 1.00 0.00 C ATOM 1491 C ASP B 375 -1.195 7.564 -9.223 1.00 0.00 C ATOM 1492 O ASP B 375 -1.453 6.429 -9.625 1.00 0.00 O ATOM 1493 CB ASP B 375 -3.505 8.365 -9.661 1.00 0.00 C ATOM 1494 CG ASP B 375 -4.120 8.471 -8.270 1.00 0.00 C ATOM 1495 OD1 ASP B 375 -3.492 8.015 -7.330 1.00 0.00 O1- ATOM 1496 OD2 ASP B 375 -5.212 9.005 -8.167 1.00 0.00 O ATOM 0 H ASP B 375 -1.521 8.451 -11.604 1.00 0.00 H new ATOM 0 HA ASP B 375 -1.931 9.555 -8.884 1.00 0.00 H new ATOM 0 HB2 ASP B 375 -4.039 9.015 -10.354 1.00 0.00 H new ATOM 0 HB3 ASP B 375 -3.608 7.347 -10.036 1.00 0.00 H new ATOM 1501 N GLY B 376 -0.177 7.847 -8.456 1.00 0.00 N ATOM 1502 CA GLY B 376 0.745 6.811 -8.009 1.00 0.00 C ATOM 1503 C GLY B 376 0.474 6.372 -6.581 1.00 0.00 C ATOM 1504 O GLY B 376 1.175 5.516 -6.044 1.00 0.00 O ATOM 0 H GLY B 376 0.044 8.785 -8.121 1.00 0.00 H new ATOM 0 HA2 GLY B 376 0.668 5.949 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY B 376 1.767 7.181 -8.085 1.00 0.00 H new ATOM 1508 N TYR B 377 -0.479 7.017 -5.947 1.00 0.00 N ATOM 1509 CA TYR B 377 -0.756 6.740 -4.547 1.00 0.00 C ATOM 1510 C TYR B 377 -1.683 5.565 -4.318 1.00 0.00 C ATOM 1511 O TYR B 377 -2.898 5.669 -4.489 1.00 0.00 O ATOM 1512 CB TYR B 377 -1.334 7.981 -3.894 1.00 0.00 C ATOM 1513 CG TYR B 377 -0.835 9.183 -4.651 1.00 0.00 C ATOM 1514 CD1 TYR B 377 0.507 9.245 -5.049 1.00 0.00 C ATOM 1515 CD2 TYR B 377 -1.713 10.217 -4.981 1.00 0.00 C ATOM 1516 CE1 TYR B 377 0.968 10.340 -5.777 1.00 0.00 C ATOM 1517 CE2 TYR B 377 -1.250 11.320 -5.707 1.00 0.00 C ATOM 1518 CZ TYR B 377 0.090 11.383 -6.107 1.00 0.00 C ATOM 1519 OH TYR B 377 0.542 12.467 -6.828 1.00 0.00 O ATOM 0 H TYR B 377 -1.073 7.731 -6.369 1.00 0.00 H new ATOM 0 HA TYR B 377 0.197 6.464 -4.095 1.00 0.00 H new ATOM 0 HB2 TYR B 377 -2.423 7.947 -3.909 1.00 0.00 H new ATOM 0 HB3 TYR B 377 -1.031 8.037 -2.848 1.00 0.00 H new ATOM 0 HD1 TYR B 377 1.184 8.444 -4.791 1.00 0.00 H new ATOM 0 HD2 TYR B 377 -2.748 10.166 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR B 377 2.001 10.386 -6.087 1.00 0.00 H new ATOM 0 HE2 TYR B 377 -1.927 12.123 -5.959 1.00 0.00 H new ATOM 0 HH TYR B 377 0.982 13.101 -6.224 1.00 0.00 H new ATOM 1529 N TYR B 378 -1.095 4.473 -3.844 1.00 0.00 N ATOM 1530 CA TYR B 378 -1.878 3.290 -3.493 1.00 0.00 C ATOM 1531 C TYR B 378 -1.762 3.055 -2.005 1.00 0.00 C ATOM 1532 O TYR B 378 -0.662 2.921 -1.467 1.00 0.00 O ATOM 1533 CB TYR B 378 -1.409 2.060 -4.252 1.00 0.00 C ATOM 1534 CG TYR B 378 -2.366 1.799 -5.389 1.00 0.00 C ATOM 1535 CD1 TYR B 378 -3.688 1.425 -5.117 1.00 0.00 C ATOM 1536 CD2 TYR B 378 -1.934 1.935 -6.711 1.00 0.00 C ATOM 1537 CE1 TYR B 378 -4.579 1.188 -6.170 1.00 0.00 C ATOM 1538 CE2 TYR B 378 -2.825 1.698 -7.765 1.00 0.00 C ATOM 1539 CZ TYR B 378 -4.147 1.324 -7.494 1.00 0.00 C ATOM 1540 OH TYR B 378 -5.023 1.088 -8.533 1.00 0.00 O ATOM 0 H TYR B 378 -0.090 4.380 -3.694 1.00 0.00 H new ATOM 0 HA TYR B 378 -2.918 3.466 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR B 378 -0.400 2.214 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR B 378 -1.369 1.198 -3.586 1.00 0.00 H new ATOM 0 HD1 TYR B 378 -4.020 1.319 -4.095 1.00 0.00 H new ATOM 0 HD2 TYR B 378 -0.914 2.223 -6.920 1.00 0.00 H new ATOM 0 HE1 TYR B 378 -5.599 0.900 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR B 378 -2.493 1.804 -8.787 1.00 0.00 H new ATOM 0 HH TYR B 378 -4.563 1.228 -9.387 1.00 0.00 H new ATOM 1550 N SER B 379 -2.900 3.070 -1.335 1.00 0.00 N ATOM 1551 CA SER B 379 -2.910 2.916 0.105 1.00 0.00 C ATOM 1552 C SER B 379 -4.018 2.022 0.596 1.00 0.00 C ATOM 1553 O SER B 379 -4.997 1.760 -0.102 1.00 0.00 O ATOM 1554 CB SER B 379 -3.076 4.274 0.762 1.00 0.00 C ATOM 1555 OG SER B 379 -3.018 4.112 2.167 1.00 0.00 O ATOM 0 H SER B 379 -3.819 3.186 -1.761 1.00 0.00 H new ATOM 0 HA SER B 379 -1.960 2.454 0.372 1.00 0.00 H new ATOM 0 HB2 SER B 379 -2.292 4.953 0.428 1.00 0.00 H new ATOM 0 HB3 SER B 379 -4.028 4.719 0.473 1.00 0.00 H new ATOM 0 HG SER B 379 -2.085 4.157 2.463 1.00 0.00 H new ATOM 1561 N VAL B 380 -3.854 1.585 1.834 1.00 0.00 N ATOM 1562 CA VAL B 380 -4.833 0.742 2.468 1.00 0.00 C ATOM 1563 C VAL B 380 -4.836 0.976 3.977 1.00 0.00 C ATOM 1564 O VAL B 380 -4.006 1.728 4.486 1.00 0.00 O ATOM 1565 CB VAL B 380 -4.474 -0.696 2.186 1.00 0.00 C ATOM 1566 CG1 VAL B 380 -4.978 -1.110 0.813 1.00 0.00 C ATOM 1567 CG2 VAL B 380 -2.955 -0.835 2.235 1.00 0.00 C ATOM 0 H VAL B 380 -3.046 1.806 2.415 1.00 0.00 H new ATOM 0 HA VAL B 380 -5.824 0.974 2.078 1.00 0.00 H new ATOM 0 HB VAL B 380 -4.939 -1.340 2.933 1.00 0.00 H new ATOM 0 HG11 VAL B 380 -4.711 -2.150 0.626 1.00 0.00 H new ATOM 0 HG12 VAL B 380 -6.062 -1.002 0.775 1.00 0.00 H new ATOM 0 HG13 VAL B 380 -4.523 -0.476 0.052 1.00 0.00 H new ATOM 0 HG21 VAL B 380 -2.678 -1.870 2.033 1.00 0.00 H new ATOM 0 HG22 VAL B 380 -2.506 -0.186 1.484 1.00 0.00 H new ATOM 0 HG23 VAL B 380 -2.595 -0.549 3.223 1.00 0.00 H new ATOM 1577 N GLN B 381 -5.761 0.327 4.696 1.00 0.00 N ATOM 1578 CA GLN B 381 -5.814 0.494 6.145 1.00 0.00 C ATOM 1579 C GLN B 381 -5.189 -0.691 6.843 1.00 0.00 C ATOM 1580 O GLN B 381 -5.574 -1.841 6.646 1.00 0.00 O ATOM 1581 CB GLN B 381 -7.243 0.642 6.611 1.00 0.00 C ATOM 1582 CG GLN B 381 -7.355 1.770 7.630 1.00 0.00 C ATOM 1583 CD GLN B 381 -8.819 2.001 7.987 1.00 0.00 C ATOM 1584 OE1 GLN B 381 -9.505 2.779 7.323 1.00 0.00 O ATOM 1585 NE2 GLN B 381 -9.341 1.367 9.000 1.00 0.00 N ATOM 0 H GLN B 381 -6.464 -0.302 4.307 1.00 0.00 H new ATOM 0 HA GLN B 381 -5.255 1.396 6.395 1.00 0.00 H new ATOM 0 HB2 GLN B 381 -7.891 0.847 5.759 1.00 0.00 H new ATOM 0 HB3 GLN B 381 -7.586 -0.293 7.054 1.00 0.00 H new ATOM 0 HG2 GLN B 381 -6.788 1.520 8.527 1.00 0.00 H new ATOM 0 HG3 GLN B 381 -6.922 2.684 7.223 1.00 0.00 H new ATOM 0 HE21 GLN B 381 -8.770 0.723 9.548 1.00 0.00 H new ATOM 0 HE22 GLN B 381 -10.320 1.515 9.244 1.00 0.00 H new ATOM 1594 N THR B 382 -4.227 -0.375 7.665 1.00 0.00 N ATOM 1595 CA THR B 382 -3.512 -1.376 8.443 1.00 0.00 C ATOM 1596 C THR B 382 -2.944 -0.744 9.699 1.00 0.00 C ATOM 1597 O THR B 382 -2.382 0.348 9.645 1.00 0.00 O ATOM 1598 CB THR B 382 -2.390 -1.991 7.615 1.00 0.00 C ATOM 1599 OG1 THR B 382 -1.410 -2.532 8.484 1.00 0.00 O ATOM 1600 CG2 THR B 382 -1.760 -0.922 6.726 1.00 0.00 C ATOM 0 H THR B 382 -3.909 0.581 7.822 1.00 0.00 H new ATOM 0 HA THR B 382 -4.209 -2.165 8.724 1.00 0.00 H new ATOM 0 HB THR B 382 -2.794 -2.783 6.985 1.00 0.00 H new ATOM 0 HG1 THR B 382 -0.525 -2.196 8.229 1.00 0.00 H new ATOM 0 HG21 THR B 382 -0.958 -1.366 6.136 1.00 0.00 H new ATOM 0 HG22 THR B 382 -2.517 -0.511 6.058 1.00 0.00 H new ATOM 0 HG23 THR B 382 -1.354 -0.125 7.348 1.00 0.00 H new ATOM 1608 N THR B 383 -3.063 -1.424 10.822 1.00 0.00 N ATOM 1609 CA THR B 383 -2.534 -0.872 12.056 1.00 0.00 C ATOM 1610 C THR B 383 -1.079 -1.244 12.244 1.00 0.00 C ATOM 1611 O THR B 383 -0.510 -1.076 13.323 1.00 0.00 O ATOM 1612 CB THR B 383 -3.390 -1.288 13.239 1.00 0.00 C ATOM 1613 OG1 THR B 383 -3.938 -2.579 13.008 1.00 0.00 O ATOM 1614 CG2 THR B 383 -4.506 -0.256 13.364 1.00 0.00 C ATOM 0 H THR B 383 -3.509 -2.337 10.908 1.00 0.00 H new ATOM 0 HA THR B 383 -2.574 0.215 11.992 1.00 0.00 H new ATOM 0 HB THR B 383 -2.800 -1.333 14.155 1.00 0.00 H new ATOM 0 HG1 THR B 383 -4.488 -2.843 13.775 1.00 0.00 H new ATOM 0 HG21 THR B 383 -5.149 -0.516 14.205 1.00 0.00 H new ATOM 0 HG22 THR B 383 -4.073 0.730 13.529 1.00 0.00 H new ATOM 0 HG23 THR B 383 -5.095 -0.244 12.447 1.00 0.00 H new ATOM 1622 N GLU B 384 -0.462 -1.657 11.148 1.00 0.00 N ATOM 1623 CA GLU B 384 0.963 -1.945 11.151 1.00 0.00 C ATOM 1624 C GLU B 384 1.555 -1.528 9.810 1.00 0.00 C ATOM 1625 O GLU B 384 1.746 -2.335 8.902 1.00 0.00 O ATOM 1626 CB GLU B 384 1.234 -3.438 11.396 1.00 0.00 C ATOM 1627 CG GLU B 384 -0.037 -4.122 11.904 1.00 0.00 C ATOM 1628 CD GLU B 384 0.224 -5.607 12.134 1.00 0.00 C ATOM 1629 OE1 GLU B 384 0.132 -6.360 11.178 1.00 0.00 O ATOM 1630 OE2 GLU B 384 0.510 -5.970 13.263 1.00 0.00 O1- ATOM 0 H GLU B 384 -0.923 -1.800 10.249 1.00 0.00 H new ATOM 0 HA GLU B 384 1.429 -1.385 11.961 1.00 0.00 H new ATOM 0 HB2 GLU B 384 1.568 -3.912 10.473 1.00 0.00 H new ATOM 0 HB3 GLU B 384 2.037 -3.556 12.124 1.00 0.00 H new ATOM 0 HG2 GLU B 384 -0.365 -3.654 12.832 1.00 0.00 H new ATOM 0 HG3 GLU B 384 -0.842 -3.994 11.181 1.00 0.00 H new ATOM 1637 N GLY B 385 1.869 -0.251 9.712 1.00 0.00 N ATOM 1638 CA GLY B 385 2.479 0.287 8.513 1.00 0.00 C ATOM 1639 C GLY B 385 3.986 0.119 8.571 1.00 0.00 C ATOM 1640 O GLY B 385 4.595 -0.494 7.702 1.00 0.00 O ATOM 0 H GLY B 385 1.711 0.434 10.451 1.00 0.00 H new ATOM 0 HA2 GLY B 385 2.083 -0.222 7.635 1.00 0.00 H new ATOM 0 HA3 GLY B 385 2.227 1.343 8.410 1.00 0.00 H new ATOM 1644 N GLU B 386 4.573 0.704 9.604 1.00 0.00 N ATOM 1645 CA GLU B 386 6.016 0.662 9.805 1.00 0.00 C ATOM 1646 C GLU B 386 6.555 -0.725 9.566 1.00 0.00 C ATOM 1647 O GLU B 386 7.732 -0.911 9.312 1.00 0.00 O ATOM 1648 CB GLU B 386 6.343 1.091 11.226 1.00 0.00 C ATOM 1649 CG GLU B 386 5.438 0.342 12.201 1.00 0.00 C ATOM 1650 CD GLU B 386 5.797 0.716 13.635 1.00 0.00 C ATOM 1651 OE1 GLU B 386 6.816 0.242 14.113 1.00 0.00 O1- ATOM 1652 OE2 GLU B 386 5.053 1.473 14.235 1.00 0.00 O ATOM 0 H GLU B 386 4.067 1.219 10.324 1.00 0.00 H new ATOM 0 HA GLU B 386 6.482 1.342 9.092 1.00 0.00 H new ATOM 0 HB2 GLU B 386 7.389 0.882 11.449 1.00 0.00 H new ATOM 0 HB3 GLU B 386 6.203 2.166 11.335 1.00 0.00 H new ATOM 0 HG2 GLU B 386 4.394 0.586 12.003 1.00 0.00 H new ATOM 0 HG3 GLU B 386 5.546 -0.733 12.058 1.00 0.00 H new ATOM 1659 N GLN B 387 5.683 -1.692 9.635 1.00 0.00 N ATOM 1660 CA GLN B 387 6.090 -3.070 9.410 1.00 0.00 C ATOM 1661 C GLN B 387 6.117 -3.338 7.927 1.00 0.00 C ATOM 1662 O GLN B 387 7.014 -3.997 7.411 1.00 0.00 O ATOM 1663 CB GLN B 387 5.127 -4.033 10.100 1.00 0.00 C ATOM 1664 CG GLN B 387 5.186 -3.830 11.615 1.00 0.00 C ATOM 1665 CD GLN B 387 4.570 -5.032 12.322 1.00 0.00 C ATOM 1666 OE1 GLN B 387 3.427 -5.507 11.908 1.00 0.00 O flip ATOM 1667 NE2 GLN B 387 5.147 -5.554 13.276 1.00 0.00 N flip ATOM 0 H GLN B 387 4.693 -1.564 9.843 1.00 0.00 H new ATOM 0 HA GLN B 387 7.084 -3.225 9.830 1.00 0.00 H new ATOM 0 HB2 GLN B 387 4.112 -3.865 9.741 1.00 0.00 H new ATOM 0 HB3 GLN B 387 5.387 -5.062 9.852 1.00 0.00 H new ATOM 0 HG2 GLN B 387 6.220 -3.700 11.934 1.00 0.00 H new ATOM 0 HG3 GLN B 387 4.651 -2.921 11.890 1.00 0.00 H new ATOM 0 HE21 GLN B 387 6.040 -5.181 13.598 1.00 0.00 H new ATOM 0 HE22 GLN B 387 4.732 -6.359 13.745 1.00 0.00 H new ATOM 1676 N ILE B 388 5.134 -2.789 7.255 1.00 0.00 N ATOM 1677 CA ILE B 388 5.032 -2.913 5.815 1.00 0.00 C ATOM 1678 C ILE B 388 6.029 -1.977 5.149 1.00 0.00 C ATOM 1679 O ILE B 388 6.665 -2.313 4.150 1.00 0.00 O ATOM 1680 CB ILE B 388 3.634 -2.490 5.392 1.00 0.00 C ATOM 1681 CG1 ILE B 388 2.617 -3.558 5.775 1.00 0.00 C ATOM 1682 CG2 ILE B 388 3.596 -2.276 3.881 1.00 0.00 C ATOM 1683 CD1 ILE B 388 1.220 -2.939 5.744 1.00 0.00 C ATOM 0 H ILE B 388 4.385 -2.246 7.685 1.00 0.00 H new ATOM 0 HA ILE B 388 5.236 -3.943 5.523 1.00 0.00 H new ATOM 0 HB ILE B 388 3.382 -1.560 5.902 1.00 0.00 H new ATOM 0 HG12 ILE B 388 2.673 -4.398 5.083 1.00 0.00 H new ATOM 0 HG13 ILE B 388 2.835 -3.948 6.769 1.00 0.00 H new ATOM 0 HG21 ILE B 388 2.593 -1.973 3.582 1.00 0.00 H new ATOM 0 HG22 ILE B 388 4.307 -1.497 3.606 1.00 0.00 H new ATOM 0 HG23 ILE B 388 3.861 -3.205 3.375 1.00 0.00 H new ATOM 0 HD11 ILE B 388 0.482 -3.693 6.016 1.00 0.00 H new ATOM 0 HD12 ILE B 388 1.173 -2.112 6.453 1.00 0.00 H new ATOM 0 HD13 ILE B 388 1.008 -2.569 4.741 1.00 0.00 H new ATOM 1695 N ALA B 389 6.107 -0.779 5.704 1.00 0.00 N ATOM 1696 CA ALA B 389 6.963 0.274 5.176 1.00 0.00 C ATOM 1697 C ALA B 389 8.443 0.046 5.447 1.00 0.00 C ATOM 1698 O ALA B 389 9.268 0.296 4.578 1.00 0.00 O ATOM 1699 CB ALA B 389 6.565 1.599 5.799 1.00 0.00 C ATOM 0 H ALA B 389 5.579 -0.507 6.534 1.00 0.00 H new ATOM 0 HA ALA B 389 6.824 0.274 4.095 1.00 0.00 H new ATOM 0 HB1 ALA B 389 7.203 2.391 5.407 1.00 0.00 H new ATOM 0 HB2 ALA B 389 5.525 1.817 5.557 1.00 0.00 H new ATOM 0 HB3 ALA B 389 6.681 1.542 6.881 1.00 0.00 H new ATOM 1705 N GLN B 390 8.794 -0.386 6.650 1.00 0.00 N ATOM 1706 CA GLN B 390 10.216 -0.560 6.968 1.00 0.00 C ATOM 1707 C GLN B 390 10.839 -1.622 6.099 1.00 0.00 C ATOM 1708 O GLN B 390 12.009 -1.555 5.724 1.00 0.00 O ATOM 1709 CB GLN B 390 10.403 -0.962 8.422 1.00 0.00 C ATOM 1710 CG GLN B 390 9.866 -2.379 8.638 1.00 0.00 C ATOM 1711 CD GLN B 390 9.679 -2.648 10.128 1.00 0.00 C ATOM 1712 OE1 GLN B 390 9.972 -1.716 10.992 1.00 0.00 O flip ATOM 1713 NE2 GLN B 390 9.257 -3.738 10.516 1.00 0.00 N flip ATOM 0 H GLN B 390 8.145 -0.617 7.402 1.00 0.00 H new ATOM 0 HA GLN B 390 10.703 0.398 6.784 1.00 0.00 H new ATOM 0 HB2 GLN B 390 11.459 -0.918 8.689 1.00 0.00 H new ATOM 0 HB3 GLN B 390 9.880 -0.261 9.073 1.00 0.00 H new ATOM 0 HG2 GLN B 390 8.916 -2.500 8.117 1.00 0.00 H new ATOM 0 HG3 GLN B 390 10.557 -3.107 8.213 1.00 0.00 H new ATOM 0 HE21 GLN B 390 9.028 -4.466 9.840 1.00 0.00 H new ATOM 0 HE22 GLN B 390 9.136 -3.912 11.514 1.00 0.00 H new ATOM 1722 N LEU B 391 10.038 -2.602 5.810 1.00 0.00 N ATOM 1723 CA LEU B 391 10.456 -3.718 4.999 1.00 0.00 C ATOM 1724 C LEU B 391 10.548 -3.265 3.553 1.00 0.00 C ATOM 1725 O LEU B 391 11.594 -3.380 2.917 1.00 0.00 O ATOM 1726 CB LEU B 391 9.446 -4.837 5.247 1.00 0.00 C ATOM 1727 CG LEU B 391 8.607 -5.189 4.013 1.00 0.00 C ATOM 1728 CD1 LEU B 391 9.452 -5.947 2.979 1.00 0.00 C ATOM 1729 CD2 LEU B 391 7.446 -6.057 4.478 1.00 0.00 C ATOM 0 H LEU B 391 9.071 -2.656 6.129 1.00 0.00 H new ATOM 0 HA LEU B 391 11.446 -4.096 5.252 1.00 0.00 H new ATOM 0 HB2 LEU B 391 9.978 -5.728 5.581 1.00 0.00 H new ATOM 0 HB3 LEU B 391 8.780 -4.541 6.057 1.00 0.00 H new ATOM 0 HG LEU B 391 8.242 -4.279 3.537 1.00 0.00 H new ATOM 0 HD11 LEU B 391 8.837 -6.187 2.112 1.00 0.00 H new ATOM 0 HD12 LEU B 391 10.291 -5.324 2.668 1.00 0.00 H new ATOM 0 HD13 LEU B 391 9.829 -6.869 3.422 1.00 0.00 H new ATOM 0 HD21 LEU B 391 6.827 -6.326 3.622 1.00 0.00 H new ATOM 0 HD22 LEU B 391 7.833 -6.963 4.945 1.00 0.00 H new ATOM 0 HD23 LEU B 391 6.845 -5.505 5.201 1.00 0.00 H new ATOM 1741 N ILE B 392 9.468 -2.682 3.067 1.00 0.00 N ATOM 1742 CA ILE B 392 9.445 -2.136 1.745 1.00 0.00 C ATOM 1743 C ILE B 392 10.676 -1.291 1.634 1.00 0.00 C ATOM 1744 O ILE B 392 11.526 -1.493 0.778 1.00 0.00 O ATOM 1745 CB ILE B 392 8.198 -1.266 1.617 1.00 0.00 C ATOM 1746 CG1 ILE B 392 7.066 -2.089 1.008 1.00 0.00 C ATOM 1747 CG2 ILE B 392 8.483 -0.030 0.752 1.00 0.00 C ATOM 1748 CD1 ILE B 392 5.770 -1.289 1.052 1.00 0.00 C ATOM 0 H ILE B 392 8.594 -2.580 3.582 1.00 0.00 H new ATOM 0 HA ILE B 392 9.424 -2.900 0.968 1.00 0.00 H new ATOM 0 HB ILE B 392 7.903 -0.923 2.609 1.00 0.00 H new ATOM 0 HG12 ILE B 392 7.308 -2.352 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE B 392 6.947 -3.024 1.556 1.00 0.00 H new ATOM 0 HG21 ILE B 392 7.580 0.576 0.674 1.00 0.00 H new ATOM 0 HG22 ILE B 392 9.277 0.559 1.210 1.00 0.00 H new ATOM 0 HG23 ILE B 392 8.794 -0.347 -0.244 1.00 0.00 H new ATOM 0 HD11 ILE B 392 4.963 -1.879 0.617 1.00 0.00 H new ATOM 0 HD12 ILE B 392 5.526 -1.048 2.087 1.00 0.00 H new ATOM 0 HD13 ILE B 392 5.892 -0.367 0.484 1.00 0.00 H new ATOM 1760 N ALA B 393 10.754 -0.379 2.587 1.00 0.00 N ATOM 1761 CA ALA B 393 11.879 0.529 2.709 1.00 0.00 C ATOM 1762 C ALA B 393 13.185 -0.237 2.719 1.00 0.00 C ATOM 1763 O ALA B 393 14.210 0.245 2.234 1.00 0.00 O ATOM 1764 CB ALA B 393 11.785 1.284 4.017 1.00 0.00 C ATOM 0 H ALA B 393 10.036 -0.248 3.300 1.00 0.00 H new ATOM 0 HA ALA B 393 11.852 1.212 1.860 1.00 0.00 H new ATOM 0 HB1 ALA B 393 12.631 1.965 4.106 1.00 0.00 H new ATOM 0 HB2 ALA B 393 10.856 1.854 4.042 1.00 0.00 H new ATOM 0 HB3 ALA B 393 11.800 0.577 4.847 1.00 0.00 H new ATOM 1770 N GLY B 394 13.146 -1.425 3.309 1.00 0.00 N ATOM 1771 CA GLY B 394 14.347 -2.239 3.418 1.00 0.00 C ATOM 1772 C GLY B 394 14.559 -3.050 2.169 1.00 0.00 C ATOM 1773 O GLY B 394 15.651 -3.546 1.909 1.00 0.00 O ATOM 0 H GLY B 394 12.307 -1.841 3.714 1.00 0.00 H new ATOM 0 HA2 GLY B 394 15.211 -1.598 3.592 1.00 0.00 H new ATOM 0 HA3 GLY B 394 14.265 -2.903 4.278 1.00 0.00 H new ATOM 1777 N TYR B 395 13.502 -3.177 1.406 1.00 0.00 N ATOM 1778 CA TYR B 395 13.544 -3.924 0.176 1.00 0.00 C ATOM 1779 C TYR B 395 14.007 -3.013 -0.949 1.00 0.00 C ATOM 1780 O TYR B 395 14.786 -3.425 -1.802 1.00 0.00 O ATOM 1781 CB TYR B 395 12.163 -4.508 -0.072 1.00 0.00 C ATOM 1782 CG TYR B 395 11.958 -5.799 0.730 1.00 0.00 C ATOM 1783 CD1 TYR B 395 12.758 -6.124 1.855 1.00 0.00 C ATOM 1784 CD2 TYR B 395 10.964 -6.695 0.322 1.00 0.00 C ATOM 1785 CE1 TYR B 395 12.546 -7.327 2.540 1.00 0.00 C ATOM 1786 CE2 TYR B 395 10.763 -7.898 1.010 1.00 0.00 C ATOM 1787 CZ TYR B 395 11.555 -8.215 2.115 1.00 0.00 C ATOM 1788 OH TYR B 395 11.356 -9.402 2.791 1.00 0.00 O ATOM 0 H TYR B 395 12.593 -2.767 1.620 1.00 0.00 H new ATOM 0 HA TYR B 395 14.255 -4.748 0.231 1.00 0.00 H new ATOM 0 HB2 TYR B 395 11.401 -3.779 0.205 1.00 0.00 H new ATOM 0 HB3 TYR B 395 12.037 -4.713 -1.135 1.00 0.00 H new ATOM 0 HD1 TYR B 395 13.530 -5.444 2.183 1.00 0.00 H new ATOM 0 HD2 TYR B 395 10.346 -6.457 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR B 395 13.152 -7.569 3.401 1.00 0.00 H new ATOM 0 HE2 TYR B 395 9.993 -8.582 0.685 1.00 0.00 H new ATOM 0 HH TYR B 395 10.628 -9.902 2.366 1.00 0.00 H new ATOM 1798 N ILE B 396 13.590 -1.755 -0.909 1.00 0.00 N ATOM 1799 CA ILE B 396 14.067 -0.804 -1.916 1.00 0.00 C ATOM 1800 C ILE B 396 15.531 -0.549 -1.701 1.00 0.00 C ATOM 1801 O ILE B 396 16.227 0.023 -2.542 1.00 0.00 O ATOM 1802 CB ILE B 396 13.327 0.530 -1.913 1.00 0.00 C ATOM 1803 CG1 ILE B 396 12.165 0.475 -0.951 1.00 0.00 C ATOM 1804 CG2 ILE B 396 12.816 0.816 -3.323 1.00 0.00 C ATOM 1805 CD1 ILE B 396 11.376 1.784 -1.016 1.00 0.00 C ATOM 0 H ILE B 396 12.945 -1.374 -0.217 1.00 0.00 H new ATOM 0 HA ILE B 396 13.876 -1.264 -2.885 1.00 0.00 H new ATOM 0 HB ILE B 396 14.005 1.323 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE B 396 11.515 -0.364 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE B 396 12.528 0.309 0.063 1.00 0.00 H new ATOM 0 HG21 ILE B 396 12.285 1.768 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE B 396 13.659 0.864 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE B 396 12.139 0.020 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE B 396 10.539 1.739 -0.320 1.00 0.00 H new ATOM 0 HD12 ILE B 396 12.028 2.615 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE B 396 10.999 1.932 -2.028 1.00 0.00 H new ATOM 1817 N ASP B 397 15.978 -0.986 -0.557 1.00 0.00 N ATOM 1818 CA ASP B 397 17.365 -0.809 -0.166 1.00 0.00 C ATOM 1819 C ASP B 397 18.216 -1.850 -0.848 1.00 0.00 C ATOM 1820 O ASP B 397 19.427 -1.702 -1.003 1.00 0.00 O ATOM 1821 CB ASP B 397 17.481 -0.959 1.347 1.00 0.00 C ATOM 1822 CG ASP B 397 18.449 0.078 1.905 1.00 0.00 C ATOM 1823 OD1 ASP B 397 18.024 1.200 2.120 1.00 0.00 O1- ATOM 1824 OD2 ASP B 397 19.600 -0.267 2.111 1.00 0.00 O ATOM 0 H ASP B 397 15.404 -1.472 0.132 1.00 0.00 H new ATOM 0 HA ASP B 397 17.708 0.183 -0.461 1.00 0.00 H new ATOM 0 HB2 ASP B 397 16.501 -0.838 1.808 1.00 0.00 H new ATOM 0 HB3 ASP B 397 17.828 -1.962 1.595 1.00 0.00 H new ATOM 1829 N ILE B 398 17.553 -2.920 -1.217 1.00 0.00 N ATOM 1830 CA ILE B 398 18.186 -4.044 -1.850 1.00 0.00 C ATOM 1831 C ILE B 398 18.191 -3.904 -3.356 1.00 0.00 C ATOM 1832 O ILE B 398 19.232 -3.929 -4.012 1.00 0.00 O ATOM 1833 CB ILE B 398 17.378 -5.255 -1.465 1.00 0.00 C ATOM 1834 CG1 ILE B 398 17.410 -5.406 0.061 1.00 0.00 C ATOM 1835 CG2 ILE B 398 17.955 -6.480 -2.141 1.00 0.00 C ATOM 1836 CD1 ILE B 398 16.316 -6.368 0.537 1.00 0.00 C ATOM 0 H ILE B 398 16.548 -3.032 -1.083 1.00 0.00 H new ATOM 0 HA ILE B 398 19.225 -4.119 -1.530 1.00 0.00 H new ATOM 0 HB ILE B 398 16.343 -5.141 -1.788 1.00 0.00 H new ATOM 0 HG12 ILE B 398 18.387 -5.776 0.374 1.00 0.00 H new ATOM 0 HG13 ILE B 398 17.273 -4.432 0.530 1.00 0.00 H new ATOM 0 HG21 ILE B 398 17.371 -7.358 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE B 398 17.921 -6.349 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE B 398 18.989 -6.617 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE B 398 16.359 -6.459 1.622 1.00 0.00 H new ATOM 0 HD12 ILE B 398 15.340 -5.983 0.243 1.00 0.00 H new ATOM 0 HD13 ILE B 398 16.471 -7.347 0.084 1.00 0.00 H new ATOM 1848 N ILE B 399 16.988 -3.816 -3.880 1.00 0.00 N ATOM 1849 CA ILE B 399 16.761 -3.720 -5.305 1.00 0.00 C ATOM 1850 C ILE B 399 17.228 -2.388 -5.875 1.00 0.00 C ATOM 1851 O ILE B 399 17.431 -2.276 -7.080 1.00 0.00 O ATOM 1852 CB ILE B 399 15.270 -3.867 -5.541 1.00 0.00 C ATOM 1853 CG1 ILE B 399 14.587 -2.612 -5.015 1.00 0.00 C ATOM 1854 CG2 ILE B 399 14.766 -5.077 -4.760 1.00 0.00 C ATOM 1855 CD1 ILE B 399 13.173 -2.953 -4.509 1.00 0.00 C ATOM 0 H ILE B 399 16.133 -3.809 -3.324 1.00 0.00 H new ATOM 0 HA ILE B 399 17.332 -4.502 -5.805 1.00 0.00 H new ATOM 0 HB ILE B 399 15.056 -4.001 -6.601 1.00 0.00 H new ATOM 0 HG12 ILE B 399 15.177 -2.179 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE B 399 14.529 -1.862 -5.804 1.00 0.00 H new ATOM 0 HG21 ILE B 399 13.694 -5.194 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE B 399 15.284 -5.973 -5.102 1.00 0.00 H new ATOM 0 HG23 ILE B 399 14.959 -4.930 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE B 399 12.693 -2.049 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE B 399 12.583 -3.365 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE B 399 13.241 -3.687 -3.706 1.00 0.00 H new ATOM 1867 N LEU B 400 17.388 -1.375 -5.027 1.00 0.00 N ATOM 1868 CA LEU B 400 17.812 -0.063 -5.514 1.00 0.00 C ATOM 1869 C LEU B 400 17.240 0.198 -6.907 1.00 0.00 C ATOM 1870 O LEU B 400 16.154 -0.289 -7.180 1.00 0.00 O ATOM 1871 CB LEU B 400 19.340 0.048 -5.572 1.00 0.00 C ATOM 1872 CG LEU B 400 19.997 -0.948 -4.616 1.00 0.00 C ATOM 1873 CD1 LEU B 400 20.611 -2.109 -5.403 1.00 0.00 C ATOM 1874 CD2 LEU B 400 21.095 -0.239 -3.827 1.00 0.00 C ATOM 1875 OXT LEU B 400 17.900 0.864 -7.686 1.00 0.00 O ATOM 0 H LEU B 400 17.235 -1.433 -4.020 1.00 0.00 H new ATOM 0 HA LEU B 400 17.434 0.681 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU B 400 19.684 -0.138 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU B 400 19.645 1.062 -5.313 1.00 0.00 H new ATOM 0 HG LEU B 400 19.241 -1.339 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU B 400 21.076 -2.812 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU B 400 19.831 -2.619 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU B 400 21.364 -1.724 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU B 400 21.566 -0.946 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU B 400 21.843 0.153 -4.516 1.00 0.00 H new ATOM 0 HD23 LEU B 400 20.661 0.582 -3.257 1.00 0.00 H new