USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 596 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 Single : A 15 THR OG1 : rot -2:sc= 1.28 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 29 THR OG1 : rot 94:sc= 1.25 USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0826 (180deg=-0.555) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -32:sc= 0.00219 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot -138:sc= 1.11 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.022) USER MOD Single : B 15 THR OG1 : rot 40:sc= 1.19 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0.00576 USER MOD Single : B 29 THR OG1 : rot 88:sc= 1.27 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -39:sc= 0.0335 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0.0318 USER MOD Single : B 44 TYR OH : rot 23:sc= 1.23 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 51 ASN : amide:sc= 0.116 X(o=0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 15 13.516 0.681 -3.943 1.00 0.00 N ATOM 235 CA THR A 15 12.176 0.818 -3.406 1.00 0.00 C ATOM 236 C THR A 15 11.243 -0.127 -4.160 1.00 0.00 C ATOM 237 O THR A 15 11.459 -0.473 -5.325 1.00 0.00 O ATOM 238 CB THR A 15 11.713 2.281 -3.523 1.00 0.00 C ATOM 239 OG1 THR A 15 10.567 2.583 -2.757 1.00 0.00 O ATOM 240 CG2 THR A 15 11.390 2.686 -4.965 1.00 0.00 C ATOM 0 HA THR A 15 12.162 0.551 -2.349 1.00 0.00 H new ATOM 0 HB THR A 15 12.568 2.840 -3.142 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.249 1.771 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.069 3.727 -4.987 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.279 2.567 -5.584 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.592 2.052 -5.351 1.00 0.00 H new ATOM 248 N VAL A 16 10.168 -0.496 -3.490 1.00 0.00 N ATOM 249 CA VAL A 16 9.134 -1.356 -4.022 1.00 0.00 C ATOM 250 C VAL A 16 8.097 -0.435 -4.637 1.00 0.00 C ATOM 251 O VAL A 16 7.880 0.680 -4.158 1.00 0.00 O ATOM 252 CB VAL A 16 8.453 -2.147 -2.891 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.510 -3.240 -3.418 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.479 -2.802 -1.979 1.00 0.00 C ATOM 0 H VAL A 16 9.987 -0.195 -2.532 1.00 0.00 H new ATOM 0 HA VAL A 16 9.556 -2.062 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 16 7.867 -1.416 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.057 -3.766 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.728 -2.784 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.075 -3.946 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.966 -3.353 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.096 -3.488 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.112 -2.035 -1.533 1.00 0.00 H new ATOM 264 N VAL A 17 7.435 -0.911 -5.675 1.00 0.00 N ATOM 265 CA VAL A 17 6.378 -0.197 -6.347 1.00 0.00 C ATOM 266 C VAL A 17 5.330 -1.258 -6.655 1.00 0.00 C ATOM 267 O VAL A 17 5.391 -1.992 -7.643 1.00 0.00 O ATOM 268 CB VAL A 17 6.893 0.641 -7.515 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.420 -0.204 -8.666 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.759 1.564 -7.979 1.00 0.00 C ATOM 0 H VAL A 17 7.626 -1.827 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 17 5.915 0.582 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 17 7.745 1.227 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.771 0.449 -9.465 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.245 -0.824 -8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.622 -0.843 -9.044 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.104 2.173 -8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.907 0.963 -8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.458 2.213 -7.156 1.00 0.00 H new ATOM 280 N ARG A 18 4.415 -1.417 -5.711 1.00 0.00 N ATOM 281 CA ARG A 18 3.335 -2.389 -5.802 1.00 0.00 C ATOM 282 C ARG A 18 2.009 -1.641 -5.844 1.00 0.00 C ATOM 283 O ARG A 18 1.969 -0.423 -5.641 1.00 0.00 O ATOM 284 CB ARG A 18 3.469 -3.360 -4.611 1.00 0.00 C ATOM 285 CG ARG A 18 2.728 -4.708 -4.722 1.00 0.00 C ATOM 286 CD ARG A 18 3.068 -5.504 -3.457 1.00 0.00 C ATOM 287 NE ARG A 18 2.451 -6.839 -3.385 1.00 0.00 N ATOM 288 CZ ARG A 18 2.879 -7.841 -2.603 1.00 0.00 C ATOM 289 NH1 ARG A 18 4.038 -7.797 -1.953 1.00 0.00 N ATOM 290 NH2 ARG A 18 2.124 -8.923 -2.468 1.00 0.00 N ATOM 0 H ARG A 18 4.401 -0.869 -4.851 1.00 0.00 H new ATOM 0 HA ARG A 18 3.382 -2.986 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.528 -3.567 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.113 -2.850 -3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.652 -4.552 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.041 -5.249 -5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.150 -5.615 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.756 -4.927 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 18 1.637 -7.015 -3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.640 -6.978 -2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.325 -8.582 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.230 -8.985 -2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.437 -9.693 -1.876 1.00 0.00 H new ATOM 304 N THR A 19 0.925 -2.352 -6.116 1.00 0.00 N ATOM 305 CA THR A 19 -0.405 -1.767 -6.183 1.00 0.00 C ATOM 306 C THR A 19 -1.229 -2.417 -5.080 1.00 0.00 C ATOM 307 O THR A 19 -1.257 -3.650 -4.991 1.00 0.00 O ATOM 308 CB THR A 19 -1.010 -1.971 -7.580 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.099 -1.637 -8.620 1.00 0.00 O ATOM 310 CG2 THR A 19 -2.254 -1.088 -7.717 1.00 0.00 C ATOM 0 H THR A 19 0.944 -3.356 -6.297 1.00 0.00 H new ATOM 0 HA THR A 19 -0.382 -0.688 -6.027 1.00 0.00 H new ATOM 0 HB THR A 19 -1.259 -3.028 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.527 -1.784 -9.489 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.691 -1.226 -8.706 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.983 -1.366 -6.956 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.974 -0.043 -7.586 1.00 0.00 H new ATOM 318 N LEU A 20 -1.878 -1.609 -4.243 1.00 0.00 N ATOM 319 CA LEU A 20 -2.699 -2.051 -3.127 1.00 0.00 C ATOM 320 C LEU A 20 -4.085 -1.427 -3.245 1.00 0.00 C ATOM 321 O LEU A 20 -4.234 -0.325 -3.782 1.00 0.00 O ATOM 322 CB LEU A 20 -2.025 -1.593 -1.811 1.00 0.00 C ATOM 323 CG LEU A 20 -1.762 -2.696 -0.773 1.00 0.00 C ATOM 324 CD1 LEU A 20 -3.041 -3.394 -0.304 1.00 0.00 C ATOM 325 CD2 LEU A 20 -0.743 -3.730 -1.270 1.00 0.00 C ATOM 0 H LEU A 20 -1.842 -0.593 -4.330 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.797 -3.137 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.075 -1.119 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.652 -0.830 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.336 -2.183 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.789 -4.162 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.708 -2.663 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.538 -3.855 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.590 -4.489 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.118 -4.203 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.204 -3.234 -1.483 1.00 0.00 H new ATOM 337 N ARG A 21 -5.100 -2.124 -2.737 1.00 0.00 N ATOM 338 CA ARG A 21 -6.483 -1.698 -2.717 1.00 0.00 C ATOM 339 C ARG A 21 -7.068 -2.047 -1.360 1.00 0.00 C ATOM 340 O ARG A 21 -6.556 -2.948 -0.687 1.00 0.00 O ATOM 341 CB ARG A 21 -7.266 -2.406 -3.816 1.00 0.00 C ATOM 342 CG ARG A 21 -6.761 -2.025 -5.209 1.00 0.00 C ATOM 343 CD ARG A 21 -7.863 -2.394 -6.178 1.00 0.00 C ATOM 344 NE ARG A 21 -7.512 -2.130 -7.582 1.00 0.00 N ATOM 345 CZ ARG A 21 -8.373 -1.871 -8.575 1.00 0.00 C ATOM 346 NH1 ARG A 21 -9.687 -1.855 -8.372 1.00 0.00 N ATOM 347 NH2 ARG A 21 -7.898 -1.640 -9.788 1.00 0.00 N ATOM 0 H ARG A 21 -4.966 -3.041 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.544 -0.623 -2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.185 -3.485 -3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.323 -2.152 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.537 -0.960 -5.263 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.840 -2.557 -5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.101 -3.451 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.764 -1.835 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.521 -2.146 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.062 -2.043 -7.442 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.320 -1.655 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.892 -1.661 -9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.538 -1.441 -10.557 1.00 0.00 H new ATOM 361 N PHE A 22 -8.149 -1.367 -0.994 1.00 0.00 N ATOM 362 CA PHE A 22 -8.858 -1.559 0.262 1.00 0.00 C ATOM 363 C PHE A 22 -10.338 -1.346 -0.002 1.00 0.00 C ATOM 364 O PHE A 22 -10.702 -0.682 -0.980 1.00 0.00 O ATOM 365 CB PHE A 22 -8.392 -0.535 1.309 1.00 0.00 C ATOM 366 CG PHE A 22 -6.900 -0.451 1.498 1.00 0.00 C ATOM 367 CD1 PHE A 22 -6.282 -1.362 2.361 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.130 0.514 0.824 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.899 -1.302 2.571 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.737 0.539 1.000 1.00 0.00 C ATOM 371 CZ PHE A 22 -4.116 -0.367 1.881 1.00 0.00 C ATOM 0 H PHE A 22 -8.567 -0.646 -1.582 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.661 -2.561 0.642 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.763 0.449 1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.851 -0.782 2.266 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.872 -2.112 2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.608 1.232 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.433 -1.981 3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.139 1.256 0.457 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.046 -0.341 2.024 1.00 0.00 H new ATOM 381 N SER A 23 -11.197 -1.913 0.833 1.00 0.00 N ATOM 382 CA SER A 23 -12.639 -1.754 0.694 1.00 0.00 C ATOM 383 C SER A 23 -12.976 -0.285 1.026 1.00 0.00 C ATOM 384 O SER A 23 -12.108 0.424 1.545 1.00 0.00 O ATOM 385 CB SER A 23 -13.341 -2.766 1.604 1.00 0.00 C ATOM 386 OG SER A 23 -12.583 -3.964 1.692 1.00 0.00 O ATOM 0 H SER A 23 -10.916 -2.494 1.623 1.00 0.00 H new ATOM 0 HA SER A 23 -12.989 -1.957 -0.318 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.474 -2.339 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.335 -2.985 1.215 1.00 0.00 H new ATOM 0 HG SER A 23 -13.043 -4.600 2.278 1.00 0.00 H new ATOM 392 N PRO A 24 -14.196 0.213 0.770 1.00 0.00 N ATOM 393 CA PRO A 24 -14.507 1.606 1.058 1.00 0.00 C ATOM 394 C PRO A 24 -14.376 1.906 2.551 1.00 0.00 C ATOM 395 O PRO A 24 -13.755 2.906 2.895 1.00 0.00 O ATOM 396 CB PRO A 24 -15.915 1.862 0.513 1.00 0.00 C ATOM 397 CG PRO A 24 -16.524 0.467 0.397 1.00 0.00 C ATOM 398 CD PRO A 24 -15.333 -0.465 0.179 1.00 0.00 C ATOM 0 HA PRO A 24 -13.801 2.282 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.494 2.496 1.185 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.884 2.366 -0.453 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.075 0.200 1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.227 0.411 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.501 -1.433 0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.170 -0.652 -0.882 1.00 0.00 H new ATOM 406 N VAL A 25 -14.904 1.039 3.420 1.00 0.00 N ATOM 407 CA VAL A 25 -14.831 1.217 4.867 1.00 0.00 C ATOM 408 C VAL A 25 -13.374 1.119 5.332 1.00 0.00 C ATOM 409 O VAL A 25 -12.946 1.911 6.165 1.00 0.00 O ATOM 410 CB VAL A 25 -15.731 0.168 5.552 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.600 0.159 7.081 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.204 0.401 5.204 1.00 0.00 C ATOM 0 H VAL A 25 -15.395 0.192 3.135 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.194 2.206 5.146 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.389 -0.795 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.260 -0.602 7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.569 -0.064 7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.878 1.136 7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.818 -0.351 5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.505 1.393 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.339 0.327 4.125 1.00 0.00 H new ATOM 422 N GLU A 26 -12.606 0.161 4.807 1.00 0.00 N ATOM 423 CA GLU A 26 -11.204 -0.034 5.172 1.00 0.00 C ATOM 424 C GLU A 26 -10.411 1.231 4.834 1.00 0.00 C ATOM 425 O GLU A 26 -9.612 1.703 5.639 1.00 0.00 O ATOM 426 CB GLU A 26 -10.624 -1.245 4.436 1.00 0.00 C ATOM 427 CG GLU A 26 -11.401 -2.551 4.606 1.00 0.00 C ATOM 428 CD GLU A 26 -11.477 -3.100 6.024 1.00 0.00 C ATOM 429 OE1 GLU A 26 -12.370 -2.656 6.777 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.761 -4.084 6.324 1.00 0.00 O ATOM 0 H GLU A 26 -12.944 -0.505 4.112 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.134 -0.224 6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.569 -1.011 3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.602 -1.403 4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.417 -2.397 4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.945 -3.308 3.968 1.00 0.00 H new ATOM 437 N ASP A 27 -10.637 1.784 3.642 1.00 0.00 N ATOM 438 CA ASP A 27 -9.964 2.992 3.189 1.00 0.00 C ATOM 439 C ASP A 27 -10.393 4.181 4.034 1.00 0.00 C ATOM 440 O ASP A 27 -9.542 4.959 4.436 1.00 0.00 O ATOM 441 CB ASP A 27 -10.293 3.263 1.726 1.00 0.00 C ATOM 442 CG ASP A 27 -9.638 4.555 1.242 1.00 0.00 C ATOM 443 OD1 ASP A 27 -8.403 4.702 1.373 1.00 0.00 O ATOM 444 OD2 ASP A 27 -10.359 5.388 0.650 1.00 0.00 O ATOM 0 H ASP A 27 -11.296 1.401 2.964 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.889 2.847 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.953 2.428 1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.374 3.331 1.600 1.00 0.00 H new ATOM 449 N GLU A 28 -11.690 4.311 4.315 1.00 0.00 N ATOM 450 CA GLU A 28 -12.262 5.379 5.128 1.00 0.00 C ATOM 451 C GLU A 28 -11.611 5.356 6.513 1.00 0.00 C ATOM 452 O GLU A 28 -11.224 6.404 7.020 1.00 0.00 O ATOM 453 CB GLU A 28 -13.787 5.183 5.158 1.00 0.00 C ATOM 454 CG GLU A 28 -14.574 6.141 6.059 1.00 0.00 C ATOM 455 CD GLU A 28 -16.080 5.918 5.876 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.606 6.106 4.754 1.00 0.00 O ATOM 457 OE2 GLU A 28 -16.769 5.502 6.839 1.00 0.00 O ATOM 0 H GLU A 28 -12.391 3.655 3.971 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.065 6.367 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.165 5.281 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.995 4.162 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.299 5.981 7.101 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.319 7.173 5.817 1.00 0.00 H new ATOM 464 N THR A 29 -11.447 4.166 7.094 1.00 0.00 N ATOM 465 CA THR A 29 -10.832 3.968 8.401 1.00 0.00 C ATOM 466 C THR A 29 -9.386 4.479 8.345 1.00 0.00 C ATOM 467 O THR A 29 -8.975 5.275 9.189 1.00 0.00 O ATOM 468 CB THR A 29 -10.897 2.474 8.771 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.220 1.967 8.695 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.377 2.199 10.179 1.00 0.00 C ATOM 0 H THR A 29 -11.746 3.295 6.656 1.00 0.00 H new ATOM 0 HA THR A 29 -11.364 4.525 9.172 1.00 0.00 H new ATOM 0 HB THR A 29 -10.260 1.973 8.042 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.368 1.570 7.811 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.445 1.132 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.337 2.518 10.252 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.977 2.751 10.903 1.00 0.00 H new ATOM 478 N ILE A 30 -8.617 4.043 7.340 1.00 0.00 N ATOM 479 CA ILE A 30 -7.228 4.457 7.168 1.00 0.00 C ATOM 480 C ILE A 30 -7.175 5.975 6.957 1.00 0.00 C ATOM 481 O ILE A 30 -6.291 6.632 7.498 1.00 0.00 O ATOM 482 CB ILE A 30 -6.577 3.662 6.006 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.360 2.188 6.418 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.231 4.292 5.599 1.00 0.00 C ATOM 485 CD1 ILE A 30 -6.115 1.220 5.250 1.00 0.00 C ATOM 0 H ILE A 30 -8.945 3.393 6.625 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.649 4.231 8.063 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.253 3.699 5.151 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.509 2.137 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.234 1.849 6.975 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.793 3.718 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.394 5.319 5.274 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.553 4.285 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.974 0.211 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.974 1.234 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.223 1.527 4.704 1.00 0.00 H new ATOM 497 N ARG A 31 -8.091 6.548 6.173 1.00 0.00 N ATOM 498 CA ARG A 31 -8.142 7.980 5.888 1.00 0.00 C ATOM 499 C ARG A 31 -8.330 8.753 7.188 1.00 0.00 C ATOM 500 O ARG A 31 -7.626 9.734 7.424 1.00 0.00 O ATOM 501 CB ARG A 31 -9.272 8.269 4.885 1.00 0.00 C ATOM 502 CG ARG A 31 -9.039 9.569 4.108 1.00 0.00 C ATOM 503 CD ARG A 31 -10.286 9.946 3.294 1.00 0.00 C ATOM 504 NE ARG A 31 -11.210 10.797 4.064 1.00 0.00 N ATOM 505 CZ ARG A 31 -11.059 12.104 4.306 1.00 0.00 C ATOM 506 NH1 ARG A 31 -10.038 12.768 3.769 1.00 0.00 N ATOM 507 NH2 ARG A 31 -11.927 12.720 5.099 1.00 0.00 N ATOM 0 H ARG A 31 -8.830 6.019 5.711 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.204 8.305 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.354 7.439 4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.221 8.331 5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.794 10.374 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.185 9.452 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.983 10.468 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.803 9.039 2.982 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.042 10.348 4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.370 12.280 3.172 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.924 13.765 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.697 12.197 5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.824 13.716 5.292 1.00 0.00 H new ATOM 521 N LYS A 32 -9.268 8.292 8.016 1.00 0.00 N ATOM 522 CA LYS A 32 -9.599 8.872 9.303 1.00 0.00 C ATOM 523 C LYS A 32 -8.399 8.864 10.225 1.00 0.00 C ATOM 524 O LYS A 32 -7.986 9.914 10.701 1.00 0.00 O ATOM 525 CB LYS A 32 -10.723 8.064 9.984 1.00 0.00 C ATOM 526 CG LYS A 32 -12.051 8.801 10.018 1.00 0.00 C ATOM 527 CD LYS A 32 -12.817 8.777 8.692 1.00 0.00 C ATOM 528 CE LYS A 32 -14.099 9.604 8.836 1.00 0.00 C ATOM 529 NZ LYS A 32 -14.929 9.138 9.970 1.00 0.00 N ATOM 0 H LYS A 32 -9.835 7.474 7.794 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.922 9.897 9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.853 7.118 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.422 7.823 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.677 8.362 10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.871 9.838 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.197 9.182 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.061 7.751 8.418 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.841 10.653 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.677 9.543 7.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.899 9.496 9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.943 8.098 9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.528 9.492 10.862 1.00 0.00 H new ATOM 543 N LYS A 33 -7.858 7.678 10.498 1.00 0.00 N ATOM 544 CA LYS A 33 -6.740 7.514 11.406 1.00 0.00 C ATOM 545 C LYS A 33 -5.515 8.271 10.926 1.00 0.00 C ATOM 546 O LYS A 33 -4.851 8.892 11.747 1.00 0.00 O ATOM 547 CB LYS A 33 -6.480 6.023 11.618 1.00 0.00 C ATOM 548 CG LYS A 33 -5.943 5.731 13.026 1.00 0.00 C ATOM 549 CD LYS A 33 -7.040 5.807 14.094 1.00 0.00 C ATOM 550 CE LYS A 33 -6.632 4.911 15.264 1.00 0.00 C ATOM 551 NZ LYS A 33 -7.671 4.856 16.306 1.00 0.00 N ATOM 0 H LYS A 33 -8.189 6.804 10.090 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.988 7.952 12.373 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.404 5.467 11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.764 5.670 10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.492 4.739 13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.154 6.444 13.267 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.172 6.835 14.431 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.995 5.482 13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.433 3.904 14.897 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.703 5.282 15.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.354 4.238 17.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.843 5.813 16.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.551 4.478 15.900 1.00 0.00 H new ATOM 565 N ALA A 34 -5.227 8.252 9.624 1.00 0.00 N ATOM 566 CA ALA A 34 -4.094 8.963 9.059 1.00 0.00 C ATOM 567 C ALA A 34 -4.238 10.453 9.389 1.00 0.00 C ATOM 568 O ALA A 34 -3.335 11.069 9.958 1.00 0.00 O ATOM 569 CB ALA A 34 -4.040 8.696 7.551 1.00 0.00 C ATOM 0 H ALA A 34 -5.778 7.740 8.935 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.152 8.617 9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.192 9.226 7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.928 7.626 7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.962 9.045 7.086 1.00 0.00 H new ATOM 575 N GLU A 35 -5.406 11.018 9.079 1.00 0.00 N ATOM 576 CA GLU A 35 -5.701 12.424 9.318 1.00 0.00 C ATOM 577 C GLU A 35 -5.653 12.777 10.805 1.00 0.00 C ATOM 578 O GLU A 35 -5.109 13.820 11.171 1.00 0.00 O ATOM 579 CB GLU A 35 -7.073 12.738 8.720 1.00 0.00 C ATOM 580 CG GLU A 35 -7.419 14.226 8.785 1.00 0.00 C ATOM 581 CD GLU A 35 -8.468 14.557 7.733 1.00 0.00 C ATOM 582 OE1 GLU A 35 -9.676 14.318 7.967 1.00 0.00 O ATOM 583 OE2 GLU A 35 -8.068 14.989 6.624 1.00 0.00 O ATOM 0 H GLU A 35 -6.177 10.505 8.652 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.936 13.034 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.096 12.409 7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.835 12.168 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.793 14.479 9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.523 14.825 8.620 1.00 0.00 H new ATOM 590 N ASP A 36 -6.202 11.907 11.652 1.00 0.00 N ATOM 591 CA ASP A 36 -6.275 12.035 13.103 1.00 0.00 C ATOM 592 C ASP A 36 -4.887 11.966 13.736 1.00 0.00 C ATOM 593 O ASP A 36 -4.675 12.477 14.837 1.00 0.00 O ATOM 594 CB ASP A 36 -7.148 10.896 13.648 1.00 0.00 C ATOM 595 CG ASP A 36 -7.447 11.038 15.133 1.00 0.00 C ATOM 596 OD1 ASP A 36 -8.047 12.068 15.522 1.00 0.00 O ATOM 597 OD2 ASP A 36 -7.241 10.080 15.907 1.00 0.00 O ATOM 0 H ASP A 36 -6.633 11.043 11.322 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.707 13.004 13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.087 10.868 13.095 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.646 9.944 13.473 1.00 0.00 H new ATOM 602 N SER A 37 -3.941 11.356 13.024 1.00 0.00 N ATOM 603 CA SER A 37 -2.554 11.166 13.396 1.00 0.00 C ATOM 604 C SER A 37 -1.661 12.249 12.766 1.00 0.00 C ATOM 605 O SER A 37 -0.488 12.367 13.119 1.00 0.00 O ATOM 606 CB SER A 37 -2.181 9.744 12.949 1.00 0.00 C ATOM 607 OG SER A 37 -0.955 9.281 13.460 1.00 0.00 O ATOM 0 H SER A 37 -4.146 10.956 12.108 1.00 0.00 H new ATOM 0 HA SER A 37 -2.403 11.267 14.471 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.972 9.060 13.257 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.141 9.716 11.860 1.00 0.00 H new ATOM 0 HG SER A 37 -0.340 10.036 13.570 1.00 0.00 H new ATOM 613 N GLY A 38 -2.191 13.084 11.864 1.00 0.00 N ATOM 614 CA GLY A 38 -1.419 14.130 11.205 1.00 0.00 C ATOM 615 C GLY A 38 -0.308 13.539 10.331 1.00 0.00 C ATOM 616 O GLY A 38 0.771 14.130 10.228 1.00 0.00 O ATOM 0 H GLY A 38 -3.168 13.049 11.574 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.081 14.741 10.591 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.982 14.789 11.955 1.00 0.00 H new ATOM 620 N LEU A 39 -0.531 12.354 9.756 1.00 0.00 N ATOM 621 CA LEU A 39 0.389 11.634 8.900 1.00 0.00 C ATOM 622 C LEU A 39 -0.402 11.310 7.651 1.00 0.00 C ATOM 623 O LEU A 39 -1.529 10.827 7.750 1.00 0.00 O ATOM 624 CB LEU A 39 0.834 10.301 9.534 1.00 0.00 C ATOM 625 CG LEU A 39 1.670 10.365 10.823 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.098 8.935 11.184 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.915 11.245 10.677 1.00 0.00 C ATOM 0 H LEU A 39 -1.409 11.852 9.888 1.00 0.00 H new ATOM 0 HA LEU A 39 1.282 12.232 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.061 9.714 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.409 9.751 8.789 1.00 0.00 H new ATOM 0 HG LEU A 39 1.056 10.811 11.606 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.694 8.953 12.097 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.213 8.319 11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.692 8.517 10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.467 11.253 11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.551 10.847 9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.614 12.262 10.424 1.00 0.00 H new ATOM 639 N THR A 40 0.151 11.556 6.471 1.00 0.00 N ATOM 640 CA THR A 40 -0.563 11.233 5.245 1.00 0.00 C ATOM 641 C THR A 40 -0.797 9.713 5.227 1.00 0.00 C ATOM 642 O THR A 40 0.002 8.951 5.775 1.00 0.00 O ATOM 643 CB THR A 40 0.219 11.761 4.030 1.00 0.00 C ATOM 644 OG1 THR A 40 -0.446 11.456 2.823 1.00 0.00 O ATOM 645 CG2 THR A 40 1.647 11.207 3.969 1.00 0.00 C ATOM 0 H THR A 40 1.074 11.970 6.338 1.00 0.00 H new ATOM 0 HA THR A 40 -1.537 11.720 5.198 1.00 0.00 H new ATOM 0 HB THR A 40 0.275 12.843 4.154 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.072 11.804 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.156 11.610 3.094 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.188 11.497 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.613 10.120 3.900 1.00 0.00 H new ATOM 653 N VAL A 41 -1.849 9.247 4.554 1.00 0.00 N ATOM 654 CA VAL A 41 -2.203 7.834 4.445 1.00 0.00 C ATOM 655 C VAL A 41 -0.995 6.974 4.058 1.00 0.00 C ATOM 656 O VAL A 41 -0.829 5.883 4.602 1.00 0.00 O ATOM 657 CB VAL A 41 -3.381 7.686 3.463 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.590 6.253 2.955 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.676 8.195 4.101 1.00 0.00 C ATOM 0 H VAL A 41 -2.495 9.860 4.057 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.521 7.463 5.419 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.120 8.292 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.437 6.230 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.693 5.917 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.789 5.593 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.498 8.083 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.890 7.618 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.563 9.247 4.363 1.00 0.00 H new ATOM 669 N SER A 42 -0.142 7.418 3.132 1.00 0.00 N ATOM 670 CA SER A 42 1.017 6.610 2.755 1.00 0.00 C ATOM 671 C SER A 42 1.987 6.414 3.924 1.00 0.00 C ATOM 672 O SER A 42 2.575 5.339 4.060 1.00 0.00 O ATOM 673 CB SER A 42 1.689 7.164 1.501 1.00 0.00 C ATOM 674 OG SER A 42 1.910 8.558 1.572 1.00 0.00 O ATOM 0 H SER A 42 -0.228 8.308 2.642 1.00 0.00 H new ATOM 0 HA SER A 42 0.661 5.611 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.642 6.656 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.068 6.942 0.633 1.00 0.00 H new ATOM 0 HG SER A 42 2.343 8.863 0.747 1.00 0.00 H new ATOM 680 N ALA A 43 2.179 7.450 4.743 1.00 0.00 N ATOM 681 CA ALA A 43 3.041 7.400 5.911 1.00 0.00 C ATOM 682 C ALA A 43 2.372 6.497 6.939 1.00 0.00 C ATOM 683 O ALA A 43 3.010 5.601 7.472 1.00 0.00 O ATOM 684 CB ALA A 43 3.250 8.797 6.486 1.00 0.00 C ATOM 0 H ALA A 43 1.731 8.356 4.606 1.00 0.00 H new ATOM 0 HA ALA A 43 4.021 7.009 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.898 8.737 7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.713 9.435 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.288 9.219 6.776 1.00 0.00 H new ATOM 690 N TYR A 44 1.073 6.694 7.176 1.00 0.00 N ATOM 691 CA TYR A 44 0.290 5.906 8.112 1.00 0.00 C ATOM 692 C TYR A 44 0.445 4.411 7.802 1.00 0.00 C ATOM 693 O TYR A 44 0.709 3.627 8.706 1.00 0.00 O ATOM 694 CB TYR A 44 -1.163 6.374 8.060 1.00 0.00 C ATOM 695 CG TYR A 44 -2.080 5.543 8.921 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.264 5.870 10.276 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.720 4.420 8.366 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.119 5.090 11.070 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.599 3.657 9.149 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.806 3.994 10.501 1.00 0.00 C ATOM 701 OH TYR A 44 -4.739 3.305 11.203 1.00 0.00 O ATOM 0 H TYR A 44 0.531 7.422 6.710 1.00 0.00 H new ATOM 0 HA TYR A 44 0.650 6.051 9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.216 7.414 8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.513 6.341 7.028 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.750 6.718 10.704 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.535 4.145 7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.252 5.327 12.115 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.116 2.813 8.716 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.625 2.345 11.044 1.00 0.00 H new ATOM 711 N ILE A 45 0.336 4.020 6.525 1.00 0.00 N ATOM 712 CA ILE A 45 0.472 2.635 6.079 1.00 0.00 C ATOM 713 C ILE A 45 1.831 2.065 6.502 1.00 0.00 C ATOM 714 O ILE A 45 1.880 1.102 7.265 1.00 0.00 O ATOM 715 CB ILE A 45 0.253 2.542 4.543 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.231 2.684 4.133 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.846 1.255 3.933 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.126 1.514 4.545 1.00 0.00 C ATOM 0 H ILE A 45 0.148 4.672 5.763 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.296 2.028 6.558 1.00 0.00 H new ATOM 0 HB ILE A 45 0.796 3.394 4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.628 3.599 4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.285 2.800 3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.663 1.244 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.920 1.225 4.119 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.375 0.385 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.147 1.703 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.760 0.596 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.109 1.407 5.630 1.00 0.00 H new ATOM 730 N ARG A 46 2.930 2.629 5.988 1.00 0.00 N ATOM 731 CA ARG A 46 4.284 2.168 6.280 1.00 0.00 C ATOM 732 C ARG A 46 4.544 2.151 7.788 1.00 0.00 C ATOM 733 O ARG A 46 5.051 1.165 8.302 1.00 0.00 O ATOM 734 CB ARG A 46 5.320 2.985 5.464 1.00 0.00 C ATOM 735 CG ARG A 46 5.863 4.225 6.196 1.00 0.00 C ATOM 736 CD ARG A 46 6.382 5.354 5.317 1.00 0.00 C ATOM 737 NE ARG A 46 6.955 6.403 6.174 1.00 0.00 N ATOM 738 CZ ARG A 46 7.573 7.510 5.769 1.00 0.00 C ATOM 739 NH1 ARG A 46 7.661 7.786 4.472 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.094 8.341 6.664 1.00 0.00 N ATOM 0 H ARG A 46 2.900 3.426 5.352 1.00 0.00 H new ATOM 0 HA ARG A 46 4.396 1.133 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.156 2.335 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.860 3.302 4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.070 4.622 6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.670 3.907 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.137 4.977 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.573 5.763 4.712 1.00 0.00 H new ATOM 0 HE ARG A 46 6.870 6.268 7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.255 7.149 3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.135 8.635 4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.020 8.130 7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.568 9.190 6.356 1.00 0.00 H new ATOM 754 N ASN A 47 4.155 3.209 8.499 1.00 0.00 N ATOM 755 CA ASN A 47 4.343 3.354 9.928 1.00 0.00 C ATOM 756 C ASN A 47 3.651 2.203 10.639 1.00 0.00 C ATOM 757 O ASN A 47 4.318 1.451 11.344 1.00 0.00 O ATOM 758 CB ASN A 47 3.838 4.726 10.378 1.00 0.00 C ATOM 759 CG ASN A 47 4.006 4.909 11.874 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.121 5.048 12.367 1.00 0.00 O ATOM 761 ND2 ASN A 47 2.915 4.923 12.609 1.00 0.00 N ATOM 0 H ASN A 47 3.686 4.010 8.076 1.00 0.00 H new ATOM 0 HA ASN A 47 5.401 3.308 10.187 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.383 5.508 9.850 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.787 4.835 10.112 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.982 5.052 13.619 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.002 4.805 12.169 1.00 0.00 H new ATOM 768 N ALA A 48 2.352 2.012 10.401 1.00 0.00 N ATOM 769 CA ALA A 48 1.581 0.940 11.015 1.00 0.00 C ATOM 770 C ALA A 48 2.105 -0.452 10.633 1.00 0.00 C ATOM 771 O ALA A 48 1.901 -1.405 11.380 1.00 0.00 O ATOM 772 CB ALA A 48 0.115 1.074 10.604 1.00 0.00 C ATOM 0 H ALA A 48 1.806 2.602 9.773 1.00 0.00 H new ATOM 0 HA ALA A 48 1.683 1.035 12.096 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.466 0.273 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.270 2.038 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.034 1.007 9.519 1.00 0.00 H new ATOM 778 N ALA A 49 2.763 -0.591 9.478 1.00 0.00 N ATOM 779 CA ALA A 49 3.308 -1.866 9.030 1.00 0.00 C ATOM 780 C ALA A 49 4.636 -2.233 9.710 1.00 0.00 C ATOM 781 O ALA A 49 5.002 -3.408 9.704 1.00 0.00 O ATOM 782 CB ALA A 49 3.541 -1.811 7.519 1.00 0.00 C ATOM 0 H ALA A 49 2.930 0.180 8.831 1.00 0.00 H new ATOM 0 HA ALA A 49 2.578 -2.629 9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.949 -2.763 7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.595 -1.619 7.012 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.245 -1.011 7.288 1.00 0.00 H new ATOM 788 N LEU A 50 5.357 -1.275 10.296 1.00 0.00 N ATOM 789 CA LEU A 50 6.655 -1.517 10.932 1.00 0.00 C ATOM 790 C LEU A 50 6.666 -1.276 12.441 1.00 0.00 C ATOM 791 O LEU A 50 7.504 -1.831 13.154 1.00 0.00 O ATOM 792 CB LEU A 50 7.669 -0.521 10.344 1.00 0.00 C ATOM 793 CG LEU A 50 7.783 -0.459 8.811 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.276 0.937 8.428 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.695 -1.546 8.253 1.00 0.00 C ATOM 0 H LEU A 50 5.055 -0.302 10.343 1.00 0.00 H new ATOM 0 HA LEU A 50 6.892 -2.565 10.747 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.413 0.475 10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.653 -0.762 10.747 1.00 0.00 H new ATOM 0 HG LEU A 50 6.803 -0.644 8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.365 1.007 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.565 1.684 8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.249 1.117 8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.742 -1.459 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.695 -1.431 8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.300 -2.526 8.522 1.00 0.00 H new ATOM 807 N ASN A 51 5.810 -0.369 12.903 1.00 0.00 N ATOM 808 CA ASN A 51 5.680 0.044 14.305 1.00 0.00 C ATOM 809 C ASN A 51 4.598 -0.764 14.993 1.00 0.00 C ATOM 810 O ASN A 51 4.357 -0.564 16.202 1.00 0.00 O ATOM 811 CB ASN A 51 5.414 1.564 14.419 1.00 0.00 C ATOM 812 CG ASN A 51 6.538 2.423 13.846 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.217 3.175 14.541 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.771 2.341 12.550 1.00 0.00 N ATOM 0 H ASN A 51 5.159 0.121 12.289 1.00 0.00 H new ATOM 0 HA ASN A 51 6.624 -0.155 14.812 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.485 1.802 13.901 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.269 1.822 15.468 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.512 2.901 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.210 1.718 11.969 1.00 0.00 H new ATOM 1055 N THR B 15 -13.945 0.648 -3.954 1.00 0.00 N ATOM 1056 CA THR B 15 -12.658 0.338 -3.364 1.00 0.00 C ATOM 1057 C THR B 15 -11.737 1.514 -3.705 1.00 0.00 C ATOM 1058 O THR B 15 -12.074 2.389 -4.507 1.00 0.00 O ATOM 1059 CB THR B 15 -12.181 -1.012 -3.964 1.00 0.00 C ATOM 1060 OG1 THR B 15 -11.095 -1.648 -3.318 1.00 0.00 O ATOM 1061 CG2 THR B 15 -11.777 -0.928 -5.442 1.00 0.00 C ATOM 0 HA THR B 15 -12.680 0.219 -2.281 1.00 0.00 H new ATOM 0 HB THR B 15 -13.084 -1.604 -3.814 1.00 0.00 H new ATOM 0 HG1 THR B 15 -11.193 -1.557 -2.347 1.00 0.00 H new ATOM 0 HG21 THR B 15 -11.456 -1.911 -5.788 1.00 0.00 H new ATOM 0 HG22 THR B 15 -12.630 -0.596 -6.034 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.958 -0.218 -5.556 1.00 0.00 H new ATOM 1069 N VAL B 16 -10.566 1.535 -3.102 1.00 0.00 N ATOM 1070 CA VAL B 16 -9.552 2.543 -3.349 1.00 0.00 C ATOM 1071 C VAL B 16 -8.441 1.799 -4.093 1.00 0.00 C ATOM 1072 O VAL B 16 -8.302 0.581 -3.927 1.00 0.00 O ATOM 1073 CB VAL B 16 -9.074 3.142 -2.013 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -8.472 2.085 -1.123 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -8.134 4.336 -2.200 1.00 0.00 C ATOM 0 H VAL B 16 -10.286 0.838 -2.412 1.00 0.00 H new ATOM 0 HA VAL B 16 -9.912 3.387 -3.937 1.00 0.00 H new ATOM 0 HB VAL B 16 -9.959 3.533 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.144 2.540 -0.188 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.218 1.319 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.617 1.631 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -7.830 4.716 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -7.252 4.021 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -8.650 5.122 -2.751 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.623 2.499 -4.865 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.513 1.916 -5.582 1.00 0.00 C ATOM 1087 C VAL B 17 -5.363 2.888 -5.447 1.00 0.00 C ATOM 1088 O VAL B 17 -5.495 4.064 -5.796 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.907 1.531 -7.019 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.321 2.689 -7.932 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.767 0.760 -7.696 1.00 0.00 C ATOM 0 H VAL B 17 -7.719 3.504 -5.009 1.00 0.00 H new ATOM 0 HA VAL B 17 -6.196 0.960 -5.164 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.798 0.916 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.577 2.301 -8.918 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -8.186 3.197 -7.506 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.495 3.394 -8.023 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -6.060 0.494 -8.712 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.874 1.384 -7.728 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.555 -0.147 -7.130 1.00 0.00 H new ATOM 1101 N ARG B 18 -4.245 2.414 -4.896 1.00 0.00 N ATOM 1102 CA ARG B 18 -3.080 3.271 -4.732 1.00 0.00 C ATOM 1103 C ARG B 18 -1.795 2.522 -5.027 1.00 0.00 C ATOM 1104 O ARG B 18 -1.706 1.292 -4.958 1.00 0.00 O ATOM 1105 CB ARG B 18 -3.088 3.908 -3.331 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.440 5.306 -3.323 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.530 5.890 -1.915 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.091 7.295 -1.847 1.00 0.00 N ATOM 1109 CZ ARG B 18 -2.456 8.166 -0.892 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -3.351 7.850 0.033 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -1.914 9.372 -0.838 1.00 0.00 N ATOM 0 H ARG B 18 -4.126 1.458 -4.562 1.00 0.00 H new ATOM 0 HA ARG B 18 -3.131 4.080 -5.461 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -4.115 3.984 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.556 3.259 -2.636 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.398 5.239 -3.637 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.946 5.959 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -3.559 5.819 -1.563 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -1.920 5.291 -1.239 1.00 0.00 H new ATOM 0 HE ARG B 18 -1.464 7.631 -2.578 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -3.781 6.925 0.031 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -3.609 8.532 0.747 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -1.213 9.647 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -2.198 10.026 -0.109 1.00 0.00 H new ATOM 1125 N THR B 19 -0.782 3.316 -5.321 1.00 0.00 N ATOM 1126 CA THR B 19 0.569 2.917 -5.642 1.00 0.00 C ATOM 1127 C THR B 19 1.315 3.347 -4.382 1.00 0.00 C ATOM 1128 O THR B 19 1.467 4.541 -4.115 1.00 0.00 O ATOM 1129 CB THR B 19 0.996 3.615 -6.950 1.00 0.00 C ATOM 1130 OG1 THR B 19 -0.117 3.754 -7.811 1.00 0.00 O ATOM 1131 CG2 THR B 19 2.039 2.830 -7.744 1.00 0.00 C ATOM 0 H THR B 19 -0.894 4.330 -5.342 1.00 0.00 H new ATOM 0 HA THR B 19 0.746 1.862 -5.851 1.00 0.00 H new ATOM 0 HB THR B 19 1.416 4.572 -6.640 1.00 0.00 H new ATOM 0 HG1 THR B 19 0.163 4.199 -8.638 1.00 0.00 H new ATOM 0 HG21 THR B 19 2.294 3.378 -8.651 1.00 0.00 H new ATOM 0 HG22 THR B 19 2.934 2.697 -7.137 1.00 0.00 H new ATOM 0 HG23 THR B 19 1.634 1.854 -8.011 1.00 0.00 H new ATOM 1139 N LEU B 20 1.632 2.387 -3.516 1.00 0.00 N ATOM 1140 CA LEU B 20 2.314 2.613 -2.249 1.00 0.00 C ATOM 1141 C LEU B 20 3.727 2.078 -2.365 1.00 0.00 C ATOM 1142 O LEU B 20 3.900 0.914 -2.741 1.00 0.00 O ATOM 1143 CB LEU B 20 1.542 1.896 -1.128 1.00 0.00 C ATOM 1144 CG LEU B 20 1.454 2.681 0.188 1.00 0.00 C ATOM 1145 CD1 LEU B 20 2.807 3.028 0.816 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.622 3.958 0.018 1.00 0.00 C ATOM 0 H LEU B 20 1.415 1.405 -3.683 1.00 0.00 H new ATOM 0 HA LEU B 20 2.355 3.676 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.532 1.684 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.019 0.936 -0.932 1.00 0.00 H new ATOM 0 HG LEU B 20 0.959 2.001 0.881 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.647 3.582 1.741 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.354 2.110 1.032 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.384 3.639 0.122 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.578 4.492 0.967 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.084 4.595 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -0.388 3.695 -0.298 1.00 0.00 H new ATOM 1158 N ARG B 21 4.725 2.939 -2.184 1.00 0.00 N ATOM 1159 CA ARG B 21 6.114 2.532 -2.255 1.00 0.00 C ATOM 1160 C ARG B 21 6.620 2.245 -0.853 1.00 0.00 C ATOM 1161 O ARG B 21 6.102 2.803 0.116 1.00 0.00 O ATOM 1162 CB ARG B 21 6.959 3.601 -2.949 1.00 0.00 C ATOM 1163 CG ARG B 21 6.574 3.760 -4.429 1.00 0.00 C ATOM 1164 CD ARG B 21 7.845 3.970 -5.245 1.00 0.00 C ATOM 1165 NE ARG B 21 7.569 4.222 -6.668 1.00 0.00 N ATOM 1166 CZ ARG B 21 8.449 4.035 -7.661 1.00 0.00 C ATOM 1167 NH1 ARG B 21 9.684 3.627 -7.418 1.00 0.00 N ATOM 1168 NH2 ARG B 21 8.110 4.248 -8.922 1.00 0.00 N ATOM 0 H ARG B 21 4.589 3.930 -1.986 1.00 0.00 H new ATOM 0 HA ARG B 21 6.197 1.623 -2.851 1.00 0.00 H new ATOM 0 HB2 ARG B 21 6.832 4.554 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.014 3.336 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG B 21 6.043 2.875 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.900 4.607 -4.555 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.402 4.811 -4.832 1.00 0.00 H new ATOM 0 HD3 ARG B 21 8.481 3.090 -5.152 1.00 0.00 H new ATOM 0 HE ARG B 21 6.641 4.564 -6.917 1.00 0.00 H new ATOM 0 HH11 ARG B 21 9.983 3.448 -6.459 1.00 0.00 H new ATOM 0 HH12 ARG B 21 10.337 3.491 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG B 21 7.166 4.560 -9.151 1.00 0.00 H new ATOM 0 HH22 ARG B 21 8.793 4.101 -9.665 1.00 0.00 H new ATOM 1182 N PHE B 22 7.625 1.381 -0.767 1.00 0.00 N ATOM 1183 CA PHE B 22 8.256 0.963 0.477 1.00 0.00 C ATOM 1184 C PHE B 22 9.756 1.005 0.242 1.00 0.00 C ATOM 1185 O PHE B 22 10.203 0.763 -0.884 1.00 0.00 O ATOM 1186 CB PHE B 22 7.778 -0.443 0.868 1.00 0.00 C ATOM 1187 CG PHE B 22 6.316 -0.483 1.270 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.317 -0.714 0.302 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.950 -0.254 2.610 1.00 0.00 C ATOM 1190 CE1 PHE B 22 3.961 -0.698 0.673 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.592 -0.243 2.976 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.596 -0.451 2.008 1.00 0.00 C ATOM 0 H PHE B 22 8.036 0.938 -1.589 1.00 0.00 H new ATOM 0 HA PHE B 22 7.990 1.622 1.304 1.00 0.00 H new ATOM 0 HB2 PHE B 22 7.937 -1.121 0.029 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.386 -0.811 1.694 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.594 -0.903 -0.725 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.712 -0.087 3.357 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.197 -0.876 -0.070 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.314 -0.074 4.006 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.553 -0.421 2.288 1.00 0.00 H new ATOM 1202 N SER B 23 10.534 1.380 1.250 1.00 0.00 N ATOM 1203 CA SER B 23 11.989 1.453 1.129 1.00 0.00 C ATOM 1204 C SER B 23 12.544 0.012 1.145 1.00 0.00 C ATOM 1205 O SER B 23 11.789 -0.920 1.436 1.00 0.00 O ATOM 1206 CB SER B 23 12.559 2.377 2.221 1.00 0.00 C ATOM 1207 OG SER B 23 11.633 3.385 2.609 1.00 0.00 O ATOM 0 H SER B 23 10.179 1.641 2.170 1.00 0.00 H new ATOM 0 HA SER B 23 12.301 1.903 0.187 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.832 1.782 3.092 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.473 2.846 1.857 1.00 0.00 H new ATOM 0 HG SER B 23 12.034 3.947 3.304 1.00 0.00 H new ATOM 1213 N PRO B 24 13.839 -0.220 0.871 1.00 0.00 N ATOM 1214 CA PRO B 24 14.381 -1.574 0.844 1.00 0.00 C ATOM 1215 C PRO B 24 14.394 -2.255 2.214 1.00 0.00 C ATOM 1216 O PRO B 24 14.284 -3.477 2.293 1.00 0.00 O ATOM 1217 CB PRO B 24 15.780 -1.432 0.239 1.00 0.00 C ATOM 1218 CG PRO B 24 16.185 0.002 0.558 1.00 0.00 C ATOM 1219 CD PRO B 24 14.859 0.757 0.528 1.00 0.00 C ATOM 0 HA PRO B 24 13.750 -2.234 0.249 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.476 -2.148 0.675 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.769 -1.612 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.668 0.076 1.532 1.00 0.00 H new ATOM 0 HG3 PRO B 24 16.888 0.394 -0.177 1.00 0.00 H new ATOM 0 HD2 PRO B 24 14.863 1.583 1.239 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.675 1.185 -0.457 1.00 0.00 H new ATOM 1227 N VAL B 25 14.555 -1.497 3.297 1.00 0.00 N ATOM 1228 CA VAL B 25 14.586 -2.044 4.649 1.00 0.00 C ATOM 1229 C VAL B 25 13.159 -2.410 5.073 1.00 0.00 C ATOM 1230 O VAL B 25 12.939 -3.478 5.647 1.00 0.00 O ATOM 1231 CB VAL B 25 15.265 -1.017 5.577 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.318 -1.495 7.035 1.00 0.00 C ATOM 1233 CG2 VAL B 25 16.694 -0.721 5.099 1.00 0.00 C ATOM 0 H VAL B 25 14.668 -0.484 3.260 1.00 0.00 H new ATOM 0 HA VAL B 25 15.171 -2.962 4.704 1.00 0.00 H new ATOM 0 HB VAL B 25 14.660 -0.112 5.535 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.805 -0.737 7.649 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.305 -1.662 7.400 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.882 -2.426 7.092 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.158 0.006 5.766 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.277 -1.642 5.104 1.00 0.00 H new ATOM 0 HG23 VAL B 25 16.663 -0.317 4.087 1.00 0.00 H new ATOM 1243 N GLU B 26 12.185 -1.562 4.738 1.00 0.00 N ATOM 1244 CA GLU B 26 10.777 -1.762 5.062 1.00 0.00 C ATOM 1245 C GLU B 26 10.304 -3.021 4.359 1.00 0.00 C ATOM 1246 O GLU B 26 9.688 -3.873 4.972 1.00 0.00 O ATOM 1247 CB GLU B 26 9.859 -0.617 4.644 1.00 0.00 C ATOM 1248 CG GLU B 26 10.550 0.708 4.468 1.00 0.00 C ATOM 1249 CD GLU B 26 11.293 1.295 5.665 1.00 0.00 C ATOM 1250 OE1 GLU B 26 10.702 2.090 6.431 1.00 0.00 O ATOM 1251 OE2 GLU B 26 12.532 1.130 5.704 1.00 0.00 O ATOM 0 H GLU B 26 12.360 -0.699 4.223 1.00 0.00 H new ATOM 0 HA GLU B 26 10.718 -1.828 6.148 1.00 0.00 H new ATOM 0 HB2 GLU B 26 9.370 -0.884 3.707 1.00 0.00 H new ATOM 0 HB3 GLU B 26 9.074 -0.506 5.392 1.00 0.00 H new ATOM 0 HG2 GLU B 26 11.263 0.606 3.650 1.00 0.00 H new ATOM 0 HG3 GLU B 26 9.802 1.435 4.150 1.00 0.00 H new ATOM 1258 N ASP B 27 10.613 -3.134 3.067 1.00 0.00 N ATOM 1259 CA ASP B 27 10.243 -4.257 2.217 1.00 0.00 C ATOM 1260 C ASP B 27 10.738 -5.567 2.795 1.00 0.00 C ATOM 1261 O ASP B 27 9.973 -6.518 2.904 1.00 0.00 O ATOM 1262 CB ASP B 27 10.872 -4.025 0.840 1.00 0.00 C ATOM 1263 CG ASP B 27 10.557 -5.128 -0.168 1.00 0.00 C ATOM 1264 OD1 ASP B 27 9.412 -5.626 -0.164 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.401 -5.400 -1.055 1.00 0.00 O ATOM 0 H ASP B 27 11.146 -2.420 2.570 1.00 0.00 H new ATOM 0 HA ASP B 27 9.157 -4.320 2.145 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.521 -3.072 0.445 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.953 -3.944 0.952 1.00 0.00 H new ATOM 1270 N GLU B 28 12.008 -5.603 3.180 1.00 0.00 N ATOM 1271 CA GLU B 28 12.656 -6.757 3.772 1.00 0.00 C ATOM 1272 C GLU B 28 11.928 -7.120 5.077 1.00 0.00 C ATOM 1273 O GLU B 28 11.582 -8.279 5.288 1.00 0.00 O ATOM 1274 CB GLU B 28 14.123 -6.353 3.950 1.00 0.00 C ATOM 1275 CG GLU B 28 15.093 -7.444 4.394 1.00 0.00 C ATOM 1276 CD GLU B 28 16.478 -6.816 4.584 1.00 0.00 C ATOM 1277 OE1 GLU B 28 17.069 -6.319 3.592 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.954 -6.729 5.739 1.00 0.00 O ATOM 0 H GLU B 28 12.632 -4.802 3.084 1.00 0.00 H new ATOM 0 HA GLU B 28 12.615 -7.660 3.162 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.480 -5.947 3.003 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.166 -5.544 4.680 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.752 -7.898 5.324 1.00 0.00 H new ATOM 0 HG3 GLU B 28 15.136 -8.238 3.649 1.00 0.00 H new ATOM 1285 N THR B 29 11.654 -6.131 5.933 1.00 0.00 N ATOM 1286 CA THR B 29 10.959 -6.316 7.207 1.00 0.00 C ATOM 1287 C THR B 29 9.550 -6.879 6.972 1.00 0.00 C ATOM 1288 O THR B 29 9.192 -7.928 7.517 1.00 0.00 O ATOM 1289 CB THR B 29 10.890 -4.964 7.953 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.177 -4.376 8.076 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.253 -5.083 9.343 1.00 0.00 C ATOM 0 H THR B 29 11.915 -5.161 5.755 1.00 0.00 H new ATOM 0 HA THR B 29 11.509 -7.032 7.818 1.00 0.00 H new ATOM 0 HB THR B 29 10.252 -4.323 7.345 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.363 -3.828 7.285 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.232 -4.103 9.819 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.235 -5.461 9.246 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.838 -5.770 9.954 1.00 0.00 H new ATOM 1299 N ILE B 30 8.770 -6.180 6.146 1.00 0.00 N ATOM 1300 CA ILE B 30 7.400 -6.495 5.793 1.00 0.00 C ATOM 1301 C ILE B 30 7.324 -7.847 5.078 1.00 0.00 C ATOM 1302 O ILE B 30 6.334 -8.562 5.196 1.00 0.00 O ATOM 1303 CB ILE B 30 6.742 -5.316 5.027 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.658 -4.072 5.953 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.320 -5.706 4.573 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.255 -2.754 5.266 1.00 0.00 C ATOM 0 H ILE B 30 9.103 -5.334 5.684 1.00 0.00 H new ATOM 0 HA ILE B 30 6.804 -6.614 6.698 1.00 0.00 H new ATOM 0 HB ILE B 30 7.349 -5.084 4.152 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.941 -4.281 6.747 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.628 -3.930 6.429 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.868 -4.872 4.037 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.373 -6.574 3.916 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.713 -5.948 5.445 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.228 -1.953 6.004 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.983 -2.510 4.492 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.269 -2.866 4.815 1.00 0.00 H new ATOM 1318 N ARG B 31 8.354 -8.239 4.339 1.00 0.00 N ATOM 1319 CA ARG B 31 8.350 -9.519 3.643 1.00 0.00 C ATOM 1320 C ARG B 31 8.391 -10.661 4.648 1.00 0.00 C ATOM 1321 O ARG B 31 7.669 -11.645 4.464 1.00 0.00 O ATOM 1322 CB ARG B 31 9.544 -9.582 2.674 1.00 0.00 C ATOM 1323 CG ARG B 31 9.856 -10.993 2.175 1.00 0.00 C ATOM 1324 CD ARG B 31 10.710 -10.926 0.910 1.00 0.00 C ATOM 1325 NE ARG B 31 11.423 -12.197 0.673 1.00 0.00 N ATOM 1326 CZ ARG B 31 10.867 -13.389 0.431 1.00 0.00 C ATOM 1327 NH1 ARG B 31 9.567 -13.510 0.184 1.00 0.00 N ATOM 1328 NH2 ARG B 31 11.610 -14.484 0.450 1.00 0.00 N ATOM 0 H ARG B 31 9.203 -7.689 4.206 1.00 0.00 H new ATOM 0 HA ARG B 31 7.432 -9.618 3.064 1.00 0.00 H new ATOM 0 HB2 ARG B 31 9.340 -8.940 1.817 1.00 0.00 H new ATOM 0 HB3 ARG B 31 10.426 -9.179 3.171 1.00 0.00 H new ATOM 0 HG2 ARG B 31 10.382 -11.553 2.949 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.929 -11.528 1.969 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.076 -10.697 0.053 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.431 -10.114 0.999 1.00 0.00 H new ATOM 0 HE ARG B 31 12.442 -12.162 0.696 1.00 0.00 H new ATOM 0 HH11 ARG B 31 8.970 -12.683 0.176 1.00 0.00 H new ATOM 0 HH12 ARG B 31 9.166 -14.430 0.002 1.00 0.00 H new ATOM 0 HH21 ARG B 31 12.608 -14.420 0.649 1.00 0.00 H new ATOM 0 HH22 ARG B 31 11.184 -15.392 0.265 1.00 0.00 H new ATOM 1342 N LYS B 32 9.239 -10.548 5.674 1.00 0.00 N ATOM 1343 CA LYS B 32 9.387 -11.601 6.669 1.00 0.00 C ATOM 1344 C LYS B 32 8.276 -11.629 7.707 1.00 0.00 C ATOM 1345 O LYS B 32 7.797 -12.719 7.995 1.00 0.00 O ATOM 1346 CB LYS B 32 10.755 -11.546 7.367 1.00 0.00 C ATOM 1347 CG LYS B 32 11.870 -12.197 6.532 1.00 0.00 C ATOM 1348 CD LYS B 32 12.374 -11.259 5.438 1.00 0.00 C ATOM 1349 CE LYS B 32 13.465 -11.862 4.557 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.735 -12.045 5.280 1.00 0.00 N ATOM 0 H LYS B 32 9.833 -9.734 5.833 1.00 0.00 H new ATOM 0 HA LYS B 32 9.314 -12.528 6.101 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.015 -10.507 7.567 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.687 -12.049 8.332 1.00 0.00 H new ATOM 0 HG2 LYS B 32 12.698 -12.475 7.184 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.497 -13.116 6.080 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.533 -10.967 4.809 1.00 0.00 H new ATOM 0 HD3 LYS B 32 12.757 -10.350 5.901 1.00 0.00 H new ATOM 0 HE2 LYS B 32 13.127 -12.824 4.173 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.631 -11.215 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 15.443 -12.457 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.074 -11.124 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.586 -12.683 6.087 1.00 0.00 H new ATOM 1364 N LYS B 33 7.855 -10.489 8.266 1.00 0.00 N ATOM 1365 CA LYS B 33 6.817 -10.493 9.296 1.00 0.00 C ATOM 1366 C LYS B 33 5.507 -11.037 8.736 1.00 0.00 C ATOM 1367 O LYS B 33 4.855 -11.856 9.379 1.00 0.00 O ATOM 1368 CB LYS B 33 6.736 -9.094 9.922 1.00 0.00 C ATOM 1369 CG LYS B 33 5.887 -9.014 11.191 1.00 0.00 C ATOM 1370 CD LYS B 33 6.609 -9.614 12.399 1.00 0.00 C ATOM 1371 CE LYS B 33 5.992 -9.026 13.667 1.00 0.00 C ATOM 1372 NZ LYS B 33 6.820 -9.326 14.842 1.00 0.00 N ATOM 0 H LYS B 33 8.213 -9.565 8.025 1.00 0.00 H new ATOM 0 HA LYS B 33 7.064 -11.176 10.109 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.746 -8.755 10.154 1.00 0.00 H new ATOM 0 HB3 LYS B 33 6.329 -8.403 9.184 1.00 0.00 H new ATOM 0 HG2 LYS B 33 5.639 -7.973 11.397 1.00 0.00 H new ATOM 0 HG3 LYS B 33 4.946 -9.541 11.032 1.00 0.00 H new ATOM 0 HD2 LYS B 33 6.513 -10.700 12.398 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.674 -9.388 12.355 1.00 0.00 H new ATOM 0 HE2 LYS B 33 5.887 -7.947 13.558 1.00 0.00 H new ATOM 0 HE3 LYS B 33 4.990 -9.431 13.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 6.380 -8.916 15.691 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 6.900 -10.357 14.957 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 7.768 -8.918 14.712 1.00 0.00 H new ATOM 1386 N ALA B 34 5.186 -10.669 7.498 1.00 0.00 N ATOM 1387 CA ALA B 34 3.997 -11.096 6.790 1.00 0.00 C ATOM 1388 C ALA B 34 3.996 -12.618 6.693 1.00 0.00 C ATOM 1389 O ALA B 34 3.061 -13.289 7.127 1.00 0.00 O ATOM 1390 CB ALA B 34 4.022 -10.471 5.385 1.00 0.00 C ATOM 0 H ALA B 34 5.772 -10.043 6.946 1.00 0.00 H new ATOM 0 HA ALA B 34 3.097 -10.777 7.315 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.134 -10.780 4.833 1.00 0.00 H new ATOM 0 HB2 ALA B 34 4.036 -9.384 5.470 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.913 -10.805 4.854 1.00 0.00 H new ATOM 1396 N GLU B 35 5.078 -13.155 6.130 1.00 0.00 N ATOM 1397 CA GLU B 35 5.224 -14.586 5.927 1.00 0.00 C ATOM 1398 C GLU B 35 5.305 -15.369 7.234 1.00 0.00 C ATOM 1399 O GLU B 35 4.806 -16.487 7.291 1.00 0.00 O ATOM 1400 CB GLU B 35 6.398 -14.855 4.982 1.00 0.00 C ATOM 1401 CG GLU B 35 6.149 -16.153 4.205 1.00 0.00 C ATOM 1402 CD GLU B 35 7.079 -16.346 3.009 1.00 0.00 C ATOM 1403 OE1 GLU B 35 7.485 -15.360 2.346 1.00 0.00 O ATOM 1404 OE2 GLU B 35 7.383 -17.514 2.681 1.00 0.00 O ATOM 0 H GLU B 35 5.874 -12.607 5.804 1.00 0.00 H new ATOM 0 HA GLU B 35 4.318 -14.959 5.450 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.518 -14.022 4.289 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.325 -14.932 5.551 1.00 0.00 H new ATOM 0 HG2 GLU B 35 6.265 -16.999 4.883 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.117 -16.163 3.855 1.00 0.00 H new ATOM 1411 N ASP B 36 5.920 -14.819 8.282 1.00 0.00 N ATOM 1412 CA ASP B 36 6.015 -15.480 9.582 1.00 0.00 C ATOM 1413 C ASP B 36 4.599 -15.614 10.147 1.00 0.00 C ATOM 1414 O ASP B 36 4.234 -16.668 10.678 1.00 0.00 O ATOM 1415 CB ASP B 36 6.916 -14.684 10.532 1.00 0.00 C ATOM 1416 CG ASP B 36 6.950 -15.330 11.917 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.766 -16.252 12.147 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.165 -14.920 12.797 1.00 0.00 O ATOM 0 H ASP B 36 6.366 -13.902 8.252 1.00 0.00 H new ATOM 0 HA ASP B 36 6.464 -16.467 9.471 1.00 0.00 H new ATOM 0 HB2 ASP B 36 7.926 -14.633 10.125 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.552 -13.660 10.612 1.00 0.00 H new ATOM 1423 N SER B 37 3.786 -14.566 9.979 1.00 0.00 N ATOM 1424 CA SER B 37 2.400 -14.508 10.421 1.00 0.00 C ATOM 1425 C SER B 37 1.487 -15.294 9.456 1.00 0.00 C ATOM 1426 O SER B 37 0.300 -15.480 9.729 1.00 0.00 O ATOM 1427 CB SER B 37 1.979 -13.031 10.503 1.00 0.00 C ATOM 1428 OG SER B 37 0.807 -12.888 11.280 1.00 0.00 O ATOM 0 H SER B 37 4.090 -13.710 9.516 1.00 0.00 H new ATOM 0 HA SER B 37 2.303 -14.970 11.404 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.785 -12.442 10.940 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.806 -12.641 9.500 1.00 0.00 H new ATOM 0 HG SER B 37 0.193 -13.626 11.085 1.00 0.00 H new ATOM 1434 N GLY B 38 2.021 -15.769 8.325 1.00 0.00 N ATOM 1435 CA GLY B 38 1.295 -16.510 7.306 1.00 0.00 C ATOM 1436 C GLY B 38 0.350 -15.612 6.497 1.00 0.00 C ATOM 1437 O GLY B 38 -0.387 -16.106 5.638 1.00 0.00 O ATOM 0 H GLY B 38 3.006 -15.640 8.093 1.00 0.00 H new ATOM 0 HA2 GLY B 38 2.006 -16.987 6.631 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.720 -17.306 7.779 1.00 0.00 H new ATOM 1441 N LEU B 39 0.329 -14.303 6.758 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.504 -13.319 6.101 1.00 0.00 C ATOM 1443 C LEU B 39 0.351 -12.629 5.059 1.00 0.00 C ATOM 1444 O LEU B 39 1.205 -11.831 5.424 1.00 0.00 O ATOM 1445 CB LEU B 39 -1.059 -12.286 7.100 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.887 -12.841 8.273 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.732 -11.700 8.846 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -2.823 -13.991 7.890 1.00 0.00 C ATOM 0 H LEU B 39 0.928 -13.889 7.473 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.363 -13.810 5.645 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.220 -11.724 7.510 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.679 -11.578 6.550 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.178 -13.243 8.996 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -3.328 -12.072 9.680 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -2.077 -10.902 9.195 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.394 -11.313 8.071 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.370 -14.324 8.772 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.529 -13.649 7.133 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.237 -14.819 7.491 1.00 0.00 H new ATOM 1460 N THR B 40 0.134 -12.931 3.777 1.00 0.00 N ATOM 1461 CA THR B 40 0.853 -12.344 2.643 1.00 0.00 C ATOM 1462 C THR B 40 0.956 -10.819 2.828 1.00 0.00 C ATOM 1463 O THR B 40 0.073 -10.205 3.430 1.00 0.00 O ATOM 1464 CB THR B 40 0.146 -12.781 1.345 1.00 0.00 C ATOM 1465 OG1 THR B 40 0.822 -12.303 0.196 1.00 0.00 O ATOM 1466 CG2 THR B 40 -1.326 -12.341 1.312 1.00 0.00 C ATOM 0 H THR B 40 -0.569 -13.612 3.490 1.00 0.00 H new ATOM 0 HA THR B 40 1.881 -12.701 2.583 1.00 0.00 H new ATOM 0 HB THR B 40 0.172 -13.871 1.334 1.00 0.00 H new ATOM 0 HG1 THR B 40 0.348 -12.599 -0.609 1.00 0.00 H new ATOM 0 HG21 THR B 40 -1.783 -12.671 0.379 1.00 0.00 H new ATOM 0 HG22 THR B 40 -1.857 -12.785 2.154 1.00 0.00 H new ATOM 0 HG23 THR B 40 -1.383 -11.255 1.380 1.00 0.00 H new ATOM 1474 N VAL B 41 2.007 -10.193 2.293 1.00 0.00 N ATOM 1475 CA VAL B 41 2.300 -8.766 2.403 1.00 0.00 C ATOM 1476 C VAL B 41 1.061 -7.899 2.201 1.00 0.00 C ATOM 1477 O VAL B 41 0.845 -6.979 2.988 1.00 0.00 O ATOM 1478 CB VAL B 41 3.473 -8.400 1.475 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.722 -6.891 1.361 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.762 -9.082 1.966 1.00 0.00 C ATOM 0 H VAL B 41 2.708 -10.693 1.746 1.00 0.00 H new ATOM 0 HA VAL B 41 2.616 -8.551 3.424 1.00 0.00 H new ATOM 0 HB VAL B 41 3.194 -8.755 0.483 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.563 -6.711 0.691 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.831 -6.404 0.964 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.949 -6.484 2.346 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.588 -8.819 1.305 1.00 0.00 H new ATOM 0 HG22 VAL B 41 4.987 -8.748 2.979 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.625 -10.163 1.963 1.00 0.00 H new ATOM 1490 N SER B 42 0.222 -8.174 1.200 1.00 0.00 N ATOM 1491 CA SER B 42 -0.968 -7.362 0.989 1.00 0.00 C ATOM 1492 C SER B 42 -1.914 -7.418 2.200 1.00 0.00 C ATOM 1493 O SER B 42 -2.401 -6.379 2.654 1.00 0.00 O ATOM 1494 CB SER B 42 -1.652 -7.721 -0.335 1.00 0.00 C ATOM 1495 OG SER B 42 -1.515 -9.094 -0.667 1.00 0.00 O ATOM 0 H SER B 42 0.344 -8.939 0.536 1.00 0.00 H new ATOM 0 HA SER B 42 -0.661 -6.320 0.903 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.711 -7.470 -0.272 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.228 -7.114 -1.135 1.00 0.00 H new ATOM 0 HG SER B 42 -1.969 -9.272 -1.517 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.182 -8.622 2.722 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.037 -8.816 3.888 1.00 0.00 C ATOM 1503 C ALA B 43 -2.368 -8.210 5.119 1.00 0.00 C ATOM 1504 O ALA B 43 -3.052 -7.626 5.951 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.317 -10.296 4.150 1.00 0.00 C ATOM 0 H ALA B 43 -1.807 -9.491 2.341 1.00 0.00 H new ATOM 0 HA ALA B 43 -3.987 -8.321 3.686 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.957 -10.396 5.027 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.817 -10.730 3.284 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.377 -10.819 4.326 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.048 -8.350 5.249 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.310 -7.797 6.371 1.00 0.00 C ATOM 1513 C TYR B 44 -0.527 -6.287 6.396 1.00 0.00 C ATOM 1514 O TYR B 44 -0.975 -5.767 7.406 1.00 0.00 O ATOM 1515 CB TYR B 44 1.171 -8.164 6.288 1.00 0.00 C ATOM 1516 CG TYR B 44 1.975 -7.545 7.410 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.541 -6.264 7.248 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.168 -8.248 8.615 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.314 -5.702 8.278 1.00 0.00 C ATOM 1520 CE2 TYR B 44 2.937 -7.683 9.647 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.506 -6.400 9.492 1.00 0.00 C ATOM 1522 OH TYR B 44 4.296 -5.884 10.470 1.00 0.00 O ATOM 0 H TYR B 44 -0.467 -8.850 4.577 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.677 -8.222 7.305 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.278 -9.248 6.322 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.573 -7.834 5.330 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.380 -5.715 6.332 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.724 -9.224 8.746 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.765 -4.730 8.141 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.093 -8.233 10.563 1.00 0.00 H new ATOM 0 HH TYR B 44 4.360 -4.912 10.361 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.281 -5.595 5.279 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.448 -4.148 5.156 1.00 0.00 C ATOM 1534 C ILE B 45 -1.861 -3.756 5.593 1.00 0.00 C ATOM 1535 O ILE B 45 -2.030 -3.021 6.562 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.105 -3.703 3.708 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.413 -3.762 3.419 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.657 -2.309 3.347 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.268 -2.827 4.279 1.00 0.00 C ATOM 0 H ILE B 45 0.046 -6.036 4.419 1.00 0.00 H new ATOM 0 HA ILE B 45 0.243 -3.623 5.816 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.609 -4.428 3.068 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.757 -4.785 3.568 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.578 -3.519 2.369 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.380 -2.062 2.322 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.743 -2.313 3.439 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.238 -1.565 4.025 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.317 -2.938 4.005 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.957 -1.795 4.114 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.139 -3.081 5.331 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.886 -4.259 4.899 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.281 -3.950 5.196 1.00 0.00 C ATOM 1553 C ARG B 46 -4.637 -4.181 6.666 1.00 0.00 C ATOM 1554 O ARG B 46 -5.234 -3.300 7.278 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.202 -4.653 4.164 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.739 -6.019 4.603 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.481 -6.765 3.498 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.971 -8.050 4.016 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.562 -9.018 3.314 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -7.790 -8.900 2.014 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -7.914 -10.134 3.935 1.00 0.00 N ATOM 0 H ARG B 46 -2.767 -4.896 4.111 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.451 -2.880 5.075 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.047 -3.999 3.948 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -4.650 -4.778 3.232 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.908 -6.633 4.950 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -6.410 -5.881 5.451 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.316 -6.165 3.137 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.818 -6.932 2.649 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.846 -8.219 5.014 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.511 -8.051 1.522 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -8.244 -9.658 1.505 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -7.732 -10.242 4.933 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -8.367 -10.886 3.415 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.259 -5.323 7.230 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.524 -5.710 8.605 1.00 0.00 C ATOM 1577 C ASN B 47 -3.803 -4.830 9.621 1.00 0.00 C ATOM 1578 O ASN B 47 -4.445 -4.337 10.548 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.103 -7.168 8.797 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.368 -7.606 10.220 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.527 -7.762 10.589 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.337 -7.842 11.010 1.00 0.00 N ATOM 0 H ASN B 47 -3.737 -6.033 6.716 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.592 -5.584 8.783 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.651 -7.807 8.104 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.044 -7.282 8.565 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.490 -8.166 11.965 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.387 -7.700 10.665 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.486 -4.675 9.464 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.621 -3.883 10.332 1.00 0.00 C ATOM 1591 C ALA B 48 -2.031 -2.417 10.319 1.00 0.00 C ATOM 1592 O ALA B 48 -1.895 -1.737 11.326 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.155 -4.023 9.897 1.00 0.00 C ATOM 0 H ALA B 48 -1.977 -5.116 8.698 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.727 -4.260 11.349 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.478 -3.426 10.554 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.144 -5.069 9.957 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.045 -3.673 8.871 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.526 -1.925 9.182 1.00 0.00 N ATOM 1600 CA ALA B 49 -2.943 -0.549 9.051 1.00 0.00 C ATOM 1601 C ALA B 49 -4.159 -0.263 9.917 1.00 0.00 C ATOM 1602 O ALA B 49 -4.137 0.659 10.715 1.00 0.00 O ATOM 1603 CB ALA B 49 -3.254 -0.227 7.584 1.00 0.00 C ATOM 0 H ALA B 49 -2.645 -2.478 8.333 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.125 0.087 9.390 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.567 0.813 7.498 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -2.362 -0.388 6.979 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.054 -0.877 7.231 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.228 -1.031 9.734 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.485 -0.841 10.449 1.00 0.00 C ATOM 1611 C LEU B 50 -6.453 -1.173 11.928 1.00 0.00 C ATOM 1612 O LEU B 50 -7.120 -0.497 12.709 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.547 -1.779 9.862 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.769 -1.646 8.357 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.406 -2.945 7.885 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.647 -0.469 7.950 1.00 0.00 C ATOM 0 H LEU B 50 -5.246 -1.812 9.078 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.696 0.222 10.335 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.262 -2.808 10.082 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.493 -1.595 10.371 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.802 -1.454 7.892 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.583 -2.894 6.811 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.738 -3.778 8.104 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.354 -3.094 8.402 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.751 -0.451 6.865 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.631 -0.574 8.407 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.188 0.461 8.286 1.00 0.00 H new ATOM 1628 N ASN B 51 -5.765 -2.252 12.289 1.00 0.00 N ATOM 1629 CA ASN B 51 -5.709 -2.722 13.663 1.00 0.00 C ATOM 1630 C ASN B 51 -4.458 -2.234 14.356 1.00 0.00 C ATOM 1631 O ASN B 51 -3.542 -3.057 14.576 1.00 0.00 O ATOM 1632 CB ASN B 51 -5.892 -4.245 13.687 1.00 0.00 C ATOM 1633 CG ASN B 51 -7.233 -4.650 13.116 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -8.256 -4.624 13.784 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -7.272 -5.012 11.841 1.00 0.00 N ATOM 0 H ASN B 51 -5.231 -2.823 11.634 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.530 -2.297 14.241 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -5.094 -4.718 13.115 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -5.807 -4.607 14.712 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -8.160 -5.271 11.411 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -6.414 -5.031 11.290 1.00 0.00 H new