USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 THR OG1 : rot 175:sc= 0.555 USER MOD Set 1.2: A 31 THR OG1 : rot -179:sc= -0.121! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.149 F(o=-0.88,f=-0.15) USER MOD Single : A 29 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.31) USER MOD Single : A 37 GLN : amide:sc= -6.93! C(o=-6.9!,f=-11!) USER MOD Single : A 38 TYR OH : rot 167:sc= -0.524 USER MOD Single : A 43 SER OG : rot 180:sc= -3.45! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.101 USER MOD Single : A 67 ASN : amide:sc= -13.8! C(o=-14!,f=-19!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.89! C(o=-1.9!,f=-5.5!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -6.03! C(o=-6.9!,f=-6!) USER MOD Single : A 100 LYS NZ :NH3+ -132:sc= -0.4 (180deg=-1.89!) USER MOD Single : A 102 ASN : amide:sc= -0.275 K(o=-0.27,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.029 -0.129 3.322 1.00 0.00 N ATOM 216 CA CYS A 14 11.751 1.121 4.079 1.00 0.00 C ATOM 217 C CYS A 14 10.897 0.788 5.304 1.00 0.00 C ATOM 218 O CYS A 14 9.687 0.719 5.232 1.00 0.00 O ATOM 219 CB CYS A 14 10.999 2.031 3.098 1.00 0.00 C ATOM 220 SG CYS A 14 12.165 2.763 1.914 1.00 0.00 S ATOM 0 HA CYS A 14 12.655 1.609 4.444 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.239 1.458 2.566 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.480 2.818 3.644 1.00 0.00 H new ATOM 225 N THR A 15 11.527 0.549 6.424 1.00 0.00 N ATOM 226 CA THR A 15 10.762 0.182 7.651 1.00 0.00 C ATOM 227 C THR A 15 10.346 1.419 8.452 1.00 0.00 C ATOM 228 O THR A 15 9.605 1.315 9.410 1.00 0.00 O ATOM 229 CB THR A 15 11.724 -0.681 8.470 1.00 0.00 C ATOM 230 OG1 THR A 15 13.049 -0.502 7.988 1.00 0.00 O ATOM 231 CG2 THR A 15 11.327 -2.152 8.343 1.00 0.00 C ATOM 0 H THR A 15 12.539 0.592 6.542 1.00 0.00 H new ATOM 0 HA THR A 15 9.838 -0.338 7.400 1.00 0.00 H new ATOM 0 HB THR A 15 11.676 -0.383 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.666 -1.053 8.514 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.013 -2.766 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.312 -2.288 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.373 -2.452 7.296 1.00 0.00 H new ATOM 239 N GLY A 16 10.802 2.585 8.091 1.00 0.00 N ATOM 240 CA GLY A 16 10.396 3.787 8.872 1.00 0.00 C ATOM 241 C GLY A 16 8.873 3.947 8.785 1.00 0.00 C ATOM 242 O GLY A 16 8.130 3.156 9.331 1.00 0.00 O ATOM 0 H GLY A 16 11.427 2.758 7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.705 3.682 9.912 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.891 4.676 8.480 1.00 0.00 H new ATOM 246 N LYS A 17 8.398 4.957 8.105 1.00 0.00 N ATOM 247 CA LYS A 17 6.922 5.148 7.994 1.00 0.00 C ATOM 248 C LYS A 17 6.565 5.738 6.626 1.00 0.00 C ATOM 249 O LYS A 17 7.430 6.117 5.862 1.00 0.00 O ATOM 250 CB LYS A 17 6.580 6.136 9.104 1.00 0.00 C ATOM 251 CG LYS A 17 5.467 5.559 9.978 1.00 0.00 C ATOM 252 CD LYS A 17 4.377 6.613 10.184 1.00 0.00 C ATOM 253 CE LYS A 17 3.669 6.881 8.853 1.00 0.00 C ATOM 254 NZ LYS A 17 2.390 7.549 9.227 1.00 0.00 N ATOM 0 H LYS A 17 8.965 5.655 7.624 1.00 0.00 H new ATOM 0 HA LYS A 17 6.372 4.212 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.464 6.339 9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.263 7.086 8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.044 4.671 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.872 5.247 10.941 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.658 6.268 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.815 7.535 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.272 7.517 8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.486 5.954 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.847 7.765 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.834 6.917 9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.596 8.431 9.738 1.00 0.00 H new ATOM 268 N PHE A 18 5.298 5.815 6.304 1.00 0.00 N ATOM 269 CA PHE A 18 4.908 6.378 4.978 1.00 0.00 C ATOM 270 C PHE A 18 3.821 7.443 5.120 1.00 0.00 C ATOM 271 O PHE A 18 2.982 7.382 5.997 1.00 0.00 O ATOM 272 CB PHE A 18 4.377 5.191 4.194 1.00 0.00 C ATOM 273 CG PHE A 18 5.538 4.398 3.663 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.238 3.547 4.520 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.923 4.523 2.324 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.328 2.816 4.043 1.00 0.00 C ATOM 277 CE2 PHE A 18 7.014 3.789 1.844 1.00 0.00 C ATOM 278 CZ PHE A 18 7.717 2.935 2.704 1.00 0.00 C ATOM 0 H PHE A 18 4.524 5.515 6.897 1.00 0.00 H new ATOM 0 HA PHE A 18 5.751 6.865 4.488 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.754 4.565 4.833 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.747 5.533 3.373 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.936 3.454 5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.381 5.183 1.663 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.870 2.159 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.314 3.881 0.811 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.559 2.369 2.334 1.00 0.00 H new ATOM 288 N LYS A 19 3.824 8.412 4.246 1.00 0.00 N ATOM 289 CA LYS A 19 2.790 9.478 4.298 1.00 0.00 C ATOM 290 C LYS A 19 1.912 9.384 3.054 1.00 0.00 C ATOM 291 O LYS A 19 2.369 9.593 1.953 1.00 0.00 O ATOM 292 CB LYS A 19 3.575 10.787 4.289 1.00 0.00 C ATOM 293 CG LYS A 19 2.605 11.966 4.386 1.00 0.00 C ATOM 294 CD LYS A 19 3.315 13.250 3.955 1.00 0.00 C ATOM 295 CE LYS A 19 3.345 13.328 2.427 1.00 0.00 C ATOM 296 NZ LYS A 19 2.596 14.570 2.091 1.00 0.00 N ATOM 0 H LYS A 19 4.505 8.509 3.493 1.00 0.00 H new ATOM 0 HA LYS A 19 2.143 9.398 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.275 10.809 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.166 10.863 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.736 11.788 3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.239 12.066 5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.799 14.119 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.330 13.267 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.368 13.371 2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.878 12.452 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.573 14.693 1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.624 14.498 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.067 15.388 2.527 1.00 0.00 H new ATOM 310 N VAL A 20 0.660 9.073 3.202 1.00 0.00 N ATOM 311 CA VAL A 20 -0.196 8.976 1.992 1.00 0.00 C ATOM 312 C VAL A 20 -0.195 10.324 1.272 1.00 0.00 C ATOM 313 O VAL A 20 -0.523 11.350 1.833 1.00 0.00 O ATOM 314 CB VAL A 20 -1.594 8.627 2.503 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.507 8.307 1.316 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.507 7.405 3.419 1.00 0.00 C ATOM 0 H VAL A 20 0.197 8.884 4.091 1.00 0.00 H new ATOM 0 HA VAL A 20 0.156 8.225 1.285 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.001 9.473 3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.504 8.058 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.567 9.175 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.101 7.460 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.502 7.153 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.101 6.561 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.855 7.629 4.264 1.00 0.00 H new ATOM 326 N VAL A 21 0.170 10.313 0.026 1.00 0.00 N ATOM 327 CA VAL A 21 0.204 11.562 -0.772 1.00 0.00 C ATOM 328 C VAL A 21 -1.093 11.629 -1.568 1.00 0.00 C ATOM 329 O VAL A 21 -1.589 12.684 -1.909 1.00 0.00 O ATOM 330 CB VAL A 21 1.430 11.387 -1.674 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.489 12.500 -2.718 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.697 11.432 -0.818 1.00 0.00 C ATOM 0 H VAL A 21 0.452 9.475 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 21 0.279 12.483 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 21 1.357 10.427 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.366 12.360 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.590 12.470 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.553 13.466 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.572 11.308 -1.456 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.756 12.392 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.668 10.628 -0.082 1.00 0.00 H new ATOM 342 N LYS A 22 -1.661 10.483 -1.820 1.00 0.00 N ATOM 343 CA LYS A 22 -2.953 10.412 -2.546 1.00 0.00 C ATOM 344 C LYS A 22 -3.615 9.071 -2.234 1.00 0.00 C ATOM 345 O LYS A 22 -2.982 8.024 -2.265 1.00 0.00 O ATOM 346 CB LYS A 22 -2.620 10.532 -4.026 1.00 0.00 C ATOM 347 CG LYS A 22 -3.872 10.222 -4.847 1.00 0.00 C ATOM 348 CD LYS A 22 -3.461 9.554 -6.157 1.00 0.00 C ATOM 349 CE LYS A 22 -4.487 9.883 -7.244 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.885 11.010 -8.011 1.00 0.00 N ATOM 0 H LYS A 22 -1.275 9.579 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.644 11.202 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.262 11.537 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.818 9.842 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.537 9.567 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.424 11.139 -5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.472 9.900 -6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.393 8.475 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.672 9.022 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.445 10.168 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.530 11.293 -8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.727 11.817 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.977 10.707 -8.418 1.00 0.00 H new ATOM 364 N GLU A 23 -4.880 9.107 -1.922 1.00 0.00 N ATOM 365 CA GLU A 23 -5.620 7.861 -1.574 1.00 0.00 C ATOM 366 C GLU A 23 -5.429 6.787 -2.640 1.00 0.00 C ATOM 367 O GLU A 23 -5.012 7.056 -3.749 1.00 0.00 O ATOM 368 CB GLU A 23 -7.086 8.283 -1.497 1.00 0.00 C ATOM 369 CG GLU A 23 -7.840 7.344 -0.553 1.00 0.00 C ATOM 370 CD GLU A 23 -8.942 8.122 0.168 1.00 0.00 C ATOM 371 OE1 GLU A 23 -8.746 9.303 0.406 1.00 0.00 O ATOM 372 OE2 GLU A 23 -9.963 7.526 0.467 1.00 0.00 O ATOM 0 H GLU A 23 -5.441 9.959 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.262 7.429 -0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.161 9.311 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.536 8.256 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.273 6.516 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.152 6.911 0.173 1.00 0.00 H new ATOM 379 N ILE A 24 -5.735 5.567 -2.302 1.00 0.00 N ATOM 380 CA ILE A 24 -5.579 4.460 -3.280 1.00 0.00 C ATOM 381 C ILE A 24 -6.393 4.751 -4.541 1.00 0.00 C ATOM 382 O ILE A 24 -7.555 5.101 -4.483 1.00 0.00 O ATOM 383 CB ILE A 24 -6.101 3.205 -2.553 1.00 0.00 C ATOM 384 CG1 ILE A 24 -4.923 2.445 -1.947 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.828 2.274 -3.530 1.00 0.00 C ATOM 386 CD1 ILE A 24 -3.898 2.139 -3.046 1.00 0.00 C ATOM 0 H ILE A 24 -6.088 5.289 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.546 4.331 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.795 3.523 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.461 3.037 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.270 1.519 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.188 1.395 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.673 2.800 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.140 1.964 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.056 1.596 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.365 1.530 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.544 3.073 -3.483 1.00 0.00 H new ATOM 398 N ALA A 25 -5.792 4.578 -5.679 1.00 0.00 N ATOM 399 CA ALA A 25 -6.519 4.807 -6.950 1.00 0.00 C ATOM 400 C ALA A 25 -6.784 3.454 -7.603 1.00 0.00 C ATOM 401 O ALA A 25 -6.262 2.449 -7.172 1.00 0.00 O ATOM 402 CB ALA A 25 -5.577 5.652 -7.805 1.00 0.00 C ATOM 0 H ALA A 25 -4.820 4.285 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.478 5.308 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.048 5.863 -8.765 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.363 6.590 -7.292 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.647 5.107 -7.969 1.00 0.00 H new ATOM 408 N GLU A 26 -7.582 3.402 -8.625 1.00 0.00 N ATOM 409 CA GLU A 26 -7.848 2.086 -9.267 1.00 0.00 C ATOM 410 C GLU A 26 -7.324 2.077 -10.700 1.00 0.00 C ATOM 411 O GLU A 26 -7.549 2.997 -11.461 1.00 0.00 O ATOM 412 CB GLU A 26 -9.366 1.928 -9.242 1.00 0.00 C ATOM 413 CG GLU A 26 -10.020 3.232 -9.698 1.00 0.00 C ATOM 414 CD GLU A 26 -10.483 4.026 -8.475 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.629 4.511 -7.750 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.682 4.137 -8.284 1.00 0.00 O ATOM 0 H GLU A 26 -8.058 4.202 -9.042 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.349 1.268 -8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.668 1.109 -9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.700 1.673 -8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.312 3.822 -10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.868 3.018 -10.348 1.00 0.00 H new ATOM 423 N THR A 27 -6.621 1.044 -11.072 1.00 0.00 N ATOM 424 CA THR A 27 -6.078 0.982 -12.459 1.00 0.00 C ATOM 425 C THR A 27 -7.074 0.276 -13.383 1.00 0.00 C ATOM 426 O THR A 27 -8.142 -0.129 -12.966 1.00 0.00 O ATOM 427 CB THR A 27 -4.783 0.177 -12.342 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.099 -1.197 -12.177 1.00 0.00 O ATOM 429 CG2 THR A 27 -3.972 0.665 -11.138 1.00 0.00 C ATOM 0 H THR A 27 -6.399 0.244 -10.480 1.00 0.00 H new ATOM 0 HA THR A 27 -5.902 1.972 -12.881 1.00 0.00 H new ATOM 0 HB THR A 27 -4.191 0.312 -13.247 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.273 -1.725 -12.176 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.051 0.087 -11.061 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.729 1.720 -11.267 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.558 0.536 -10.228 1.00 0.00 H new ATOM 437 N GLN A 28 -6.738 0.129 -14.635 1.00 0.00 N ATOM 438 CA GLN A 28 -7.672 -0.546 -15.584 1.00 0.00 C ATOM 439 C GLN A 28 -7.338 -2.037 -15.691 1.00 0.00 C ATOM 440 O GLN A 28 -7.752 -2.710 -16.614 1.00 0.00 O ATOM 441 CB GLN A 28 -7.444 0.151 -16.924 1.00 0.00 C ATOM 442 CG GLN A 28 -7.485 1.667 -16.723 1.00 0.00 C ATOM 443 CD GLN A 28 -8.352 2.302 -17.810 1.00 0.00 C ATOM 444 OE1 GLN A 28 -8.437 1.728 -18.978 1.00 0.00 O flip ATOM 445 NE2 GLN A 28 -8.959 3.333 -17.594 1.00 0.00 N flip ATOM 0 H GLN A 28 -5.859 0.446 -15.043 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.710 -0.478 -15.258 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.482 -0.145 -17.341 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.209 -0.153 -17.639 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.887 1.903 -15.738 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.476 2.077 -16.762 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.893 3.782 -16.681 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.535 3.749 -18.326 1.00 0.00 H new ATOM 454 N HIS A 29 -6.595 -2.556 -14.755 1.00 0.00 N ATOM 455 CA HIS A 29 -6.235 -4.002 -14.805 1.00 0.00 C ATOM 456 C HIS A 29 -6.793 -4.725 -13.576 1.00 0.00 C ATOM 457 O HIS A 29 -6.493 -5.876 -13.331 1.00 0.00 O ATOM 458 CB HIS A 29 -4.707 -4.030 -14.794 1.00 0.00 C ATOM 459 CG HIS A 29 -4.203 -4.494 -16.133 1.00 0.00 C ATOM 460 ND1 HIS A 29 -2.856 -4.712 -16.380 1.00 0.00 N ATOM 461 CD2 HIS A 29 -4.852 -4.786 -17.307 1.00 0.00 C ATOM 462 CE1 HIS A 29 -2.740 -5.117 -17.658 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.926 -5.179 -18.269 1.00 0.00 N ATOM 0 H HIS A 29 -6.221 -2.043 -13.957 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.645 -4.501 -15.683 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.316 -3.037 -14.571 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.351 -4.697 -14.009 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.919 -4.721 -17.461 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.801 -5.362 -18.132 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.113 -5.455 -19.233 1.00 0.00 H new ATOM 471 N GLY A 30 -7.597 -4.054 -12.798 1.00 0.00 N ATOM 472 CA GLY A 30 -8.166 -4.698 -11.581 1.00 0.00 C ATOM 473 C GLY A 30 -7.255 -4.404 -10.390 1.00 0.00 C ATOM 474 O GLY A 30 -7.390 -4.983 -9.331 1.00 0.00 O ATOM 0 H GLY A 30 -7.884 -3.088 -12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.170 -4.319 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.254 -5.774 -11.731 1.00 0.00 H new ATOM 478 N THR A 31 -6.325 -3.504 -10.559 1.00 0.00 N ATOM 479 CA THR A 31 -5.398 -3.166 -9.444 1.00 0.00 C ATOM 480 C THR A 31 -5.771 -1.817 -8.834 1.00 0.00 C ATOM 481 O THR A 31 -6.755 -1.203 -9.196 1.00 0.00 O ATOM 482 CB THR A 31 -4.009 -3.082 -10.085 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.127 -3.183 -11.497 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.147 -4.228 -9.565 1.00 0.00 C ATOM 0 H THR A 31 -6.168 -2.987 -11.424 1.00 0.00 H new ATOM 0 HA THR A 31 -5.439 -3.906 -8.645 1.00 0.00 H new ATOM 0 HB THR A 31 -3.547 -2.128 -9.830 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.236 -3.143 -11.903 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.157 -4.173 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.055 -4.152 -8.482 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.612 -5.179 -9.823 1.00 0.00 H new ATOM 492 N ILE A 32 -4.972 -1.349 -7.923 1.00 0.00 N ATOM 493 CA ILE A 32 -5.237 -0.031 -7.285 1.00 0.00 C ATOM 494 C ILE A 32 -3.904 0.672 -7.096 1.00 0.00 C ATOM 495 O ILE A 32 -2.873 0.041 -7.051 1.00 0.00 O ATOM 496 CB ILE A 32 -5.908 -0.282 -5.922 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.039 -1.780 -5.622 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.300 0.346 -5.937 1.00 0.00 C ATOM 499 CD1 ILE A 32 -5.953 -2.006 -4.112 1.00 0.00 C ATOM 0 H ILE A 32 -4.136 -1.828 -7.588 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.892 0.588 -7.899 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.286 0.165 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.988 -2.157 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.249 -2.334 -6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.787 0.175 -4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.214 1.418 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.895 -0.106 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.046 -3.071 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.993 -1.644 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.759 -1.464 -3.617 1.00 0.00 H new ATOM 511 N VAL A 33 -3.900 1.964 -7.018 1.00 0.00 N ATOM 512 CA VAL A 33 -2.604 2.675 -6.878 1.00 0.00 C ATOM 513 C VAL A 33 -2.539 3.513 -5.601 1.00 0.00 C ATOM 514 O VAL A 33 -3.416 4.303 -5.317 1.00 0.00 O ATOM 515 CB VAL A 33 -2.560 3.569 -8.106 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.358 4.504 -8.015 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.451 2.693 -9.355 1.00 0.00 C ATOM 0 H VAL A 33 -4.729 2.558 -7.044 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.763 1.985 -6.808 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.468 4.169 -8.162 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.328 5.145 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.444 5.121 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.442 3.915 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.419 3.326 -10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.541 2.096 -9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.316 2.032 -9.412 1.00 0.00 H new ATOM 527 N ILE A 34 -1.488 3.361 -4.841 1.00 0.00 N ATOM 528 CA ILE A 34 -1.351 4.160 -3.603 1.00 0.00 C ATOM 529 C ILE A 34 -0.177 5.119 -3.736 1.00 0.00 C ATOM 530 O ILE A 34 0.957 4.719 -3.873 1.00 0.00 O ATOM 531 CB ILE A 34 -1.137 3.141 -2.477 1.00 0.00 C ATOM 532 CG1 ILE A 34 -1.955 3.600 -1.287 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.341 3.045 -2.066 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.317 4.850 -0.695 1.00 0.00 C ATOM 0 H ILE A 34 -0.721 2.716 -5.029 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.228 4.775 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.445 2.155 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.980 3.810 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.003 2.811 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.449 2.313 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.938 2.736 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.685 4.018 -1.716 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.901 5.186 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.300 4.623 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.293 5.638 -1.448 1.00 0.00 H new ATOM 546 N ARG A 35 -0.441 6.381 -3.684 1.00 0.00 N ATOM 547 CA ARG A 35 0.662 7.361 -3.802 1.00 0.00 C ATOM 548 C ARG A 35 1.007 7.854 -2.400 1.00 0.00 C ATOM 549 O ARG A 35 0.175 8.395 -1.699 1.00 0.00 O ATOM 550 CB ARG A 35 0.097 8.455 -4.716 1.00 0.00 C ATOM 551 CG ARG A 35 0.517 9.846 -4.236 1.00 0.00 C ATOM 552 CD ARG A 35 0.298 10.861 -5.360 1.00 0.00 C ATOM 553 NE ARG A 35 1.590 10.898 -6.100 1.00 0.00 N ATOM 554 CZ ARG A 35 1.763 11.749 -7.075 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.805 12.573 -7.406 1.00 0.00 N ATOM 556 NH2 ARG A 35 2.896 11.776 -7.721 1.00 0.00 N ATOM 0 H ARG A 35 -1.372 6.781 -3.565 1.00 0.00 H new ATOM 0 HA ARG A 35 1.589 6.970 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.448 8.298 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.991 8.388 -4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.062 10.130 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.565 9.838 -3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.522 10.558 -6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.043 11.843 -4.961 1.00 0.00 H new ATOM 0 HE ARG A 35 2.341 10.257 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.082 12.553 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.944 13.236 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.645 11.133 -7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.033 12.440 -8.483 1.00 0.00 H new ATOM 570 N VAL A 36 2.219 7.649 -1.972 1.00 0.00 N ATOM 571 CA VAL A 36 2.600 8.077 -0.615 1.00 0.00 C ATOM 572 C VAL A 36 4.041 8.496 -0.621 1.00 0.00 C ATOM 573 O VAL A 36 4.804 8.128 -1.477 1.00 0.00 O ATOM 574 CB VAL A 36 2.376 6.861 0.293 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.125 6.105 -0.154 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.586 5.921 0.225 1.00 0.00 C ATOM 0 H VAL A 36 2.960 7.201 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 36 2.014 8.926 -0.263 1.00 0.00 H new ATOM 0 HB VAL A 36 2.247 7.208 1.318 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.970 5.242 0.494 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.260 6.765 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.252 5.768 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.416 5.061 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.725 5.580 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.479 6.453 0.554 1.00 0.00 H new ATOM 586 N GLN A 37 4.414 9.265 0.320 1.00 0.00 N ATOM 587 CA GLN A 37 5.799 9.723 0.369 1.00 0.00 C ATOM 588 C GLN A 37 6.512 8.978 1.484 1.00 0.00 C ATOM 589 O GLN A 37 6.064 8.954 2.613 1.00 0.00 O ATOM 590 CB GLN A 37 5.641 11.198 0.676 1.00 0.00 C ATOM 591 CG GLN A 37 7.007 11.886 0.684 1.00 0.00 C ATOM 592 CD GLN A 37 6.846 13.348 0.260 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.919 13.664 -0.911 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.626 14.258 1.169 1.00 0.00 N ATOM 0 H GLN A 37 3.814 9.604 1.072 1.00 0.00 H new ATOM 0 HA GLN A 37 6.383 9.553 -0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.995 11.664 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.156 11.325 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.447 11.832 1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.688 11.373 0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.565 13.993 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.515 15.235 0.897 1.00 0.00 H new ATOM 603 N TYR A 38 7.598 8.345 1.181 1.00 0.00 N ATOM 604 CA TYR A 38 8.303 7.577 2.239 1.00 0.00 C ATOM 605 C TYR A 38 8.715 8.510 3.379 1.00 0.00 C ATOM 606 O TYR A 38 9.408 9.482 3.184 1.00 0.00 O ATOM 607 CB TYR A 38 9.530 6.981 1.553 1.00 0.00 C ATOM 608 CG TYR A 38 10.361 6.225 2.559 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.758 5.669 3.694 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.738 6.078 2.357 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.533 4.968 4.624 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.514 5.377 3.286 1.00 0.00 C ATOM 613 CZ TYR A 38 11.911 4.822 4.421 1.00 0.00 C ATOM 614 OH TYR A 38 12.675 4.130 5.339 1.00 0.00 O ATOM 0 H TYR A 38 8.029 8.322 0.257 1.00 0.00 H new ATOM 0 HA TYR A 38 7.674 6.802 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.220 6.314 0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.125 7.773 1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.695 5.781 3.851 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.203 6.507 1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.068 4.539 5.499 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.576 5.264 3.128 1.00 0.00 H new ATOM 0 HH TYR A 38 13.557 3.941 4.955 1.00 0.00 H new ATOM 624 N GLU A 39 8.283 8.214 4.571 1.00 0.00 N ATOM 625 CA GLU A 39 8.643 9.078 5.732 1.00 0.00 C ATOM 626 C GLU A 39 9.811 8.448 6.483 1.00 0.00 C ATOM 627 O GLU A 39 10.553 9.111 7.179 1.00 0.00 O ATOM 628 CB GLU A 39 7.394 9.101 6.612 1.00 0.00 C ATOM 629 CG GLU A 39 6.411 10.142 6.077 1.00 0.00 C ATOM 630 CD GLU A 39 5.689 10.810 7.249 1.00 0.00 C ATOM 631 OE1 GLU A 39 6.033 10.509 8.381 1.00 0.00 O ATOM 632 OE2 GLU A 39 4.806 11.612 6.996 1.00 0.00 O ATOM 0 H GLU A 39 7.695 7.411 4.794 1.00 0.00 H new ATOM 0 HA GLU A 39 8.944 10.082 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.927 8.116 6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.666 9.337 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.942 10.890 5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.688 9.668 5.413 1.00 0.00 H new ATOM 639 N GLY A 40 9.972 7.164 6.342 1.00 0.00 N ATOM 640 CA GLY A 40 11.081 6.467 7.038 1.00 0.00 C ATOM 641 C GLY A 40 12.418 6.959 6.500 1.00 0.00 C ATOM 642 O GLY A 40 12.508 7.998 5.878 1.00 0.00 O ATOM 0 H GLY A 40 9.377 6.565 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.021 6.650 8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.994 5.390 6.893 1.00 0.00 H new ATOM 646 N ASP A 41 13.460 6.215 6.734 1.00 0.00 N ATOM 647 CA ASP A 41 14.796 6.634 6.234 1.00 0.00 C ATOM 648 C ASP A 41 15.460 5.488 5.470 1.00 0.00 C ATOM 649 O ASP A 41 15.285 4.331 5.795 1.00 0.00 O ATOM 650 CB ASP A 41 15.598 6.984 7.488 1.00 0.00 C ATOM 651 CG ASP A 41 14.784 7.941 8.362 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.632 9.085 7.969 1.00 0.00 O ATOM 653 OD2 ASP A 41 14.326 7.511 9.408 1.00 0.00 O ATOM 0 H ASP A 41 13.444 5.335 7.250 1.00 0.00 H new ATOM 0 HA ASP A 41 14.733 7.476 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.836 6.078 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.546 7.445 7.210 1.00 0.00 H new ATOM 658 N GLY A 42 16.226 5.799 4.457 1.00 0.00 N ATOM 659 CA GLY A 42 16.896 4.716 3.685 1.00 0.00 C ATOM 660 C GLY A 42 17.213 5.186 2.260 1.00 0.00 C ATOM 661 O GLY A 42 17.957 4.541 1.547 1.00 0.00 O ATOM 0 H GLY A 42 16.414 6.748 4.134 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.816 4.418 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.253 3.836 3.649 1.00 0.00 H new ATOM 665 N SER A 43 16.666 6.292 1.826 1.00 0.00 N ATOM 666 CA SER A 43 16.964 6.754 0.442 1.00 0.00 C ATOM 667 C SER A 43 16.478 5.676 -0.543 1.00 0.00 C ATOM 668 O SER A 43 15.572 4.943 -0.206 1.00 0.00 O ATOM 669 CB SER A 43 18.480 6.907 0.447 1.00 0.00 C ATOM 670 OG SER A 43 18.859 7.967 -0.422 1.00 0.00 O ATOM 0 H SER A 43 16.035 6.887 2.363 1.00 0.00 H new ATOM 0 HA SER A 43 16.476 7.682 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.831 7.110 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.950 5.977 0.128 1.00 0.00 H new ATOM 0 HG SER A 43 19.834 8.063 -0.415 1.00 0.00 H new ATOM 676 N PRO A 44 17.069 5.578 -1.719 1.00 0.00 N ATOM 677 CA PRO A 44 16.625 4.539 -2.673 1.00 0.00 C ATOM 678 C PRO A 44 16.387 3.235 -1.912 1.00 0.00 C ATOM 679 O PRO A 44 17.303 2.497 -1.607 1.00 0.00 O ATOM 680 CB PRO A 44 17.784 4.435 -3.654 1.00 0.00 C ATOM 681 CG PRO A 44 18.402 5.798 -3.643 1.00 0.00 C ATOM 682 CD PRO A 44 18.162 6.384 -2.273 1.00 0.00 C ATOM 0 HA PRO A 44 15.691 4.765 -3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.499 3.672 -3.346 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.438 4.163 -4.651 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.470 5.738 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.959 6.428 -4.414 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.056 6.322 -1.652 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.888 7.437 -2.334 1.00 0.00 H new ATOM 690 N CYS A 45 15.158 2.980 -1.571 1.00 0.00 N ATOM 691 CA CYS A 45 14.827 1.756 -0.785 1.00 0.00 C ATOM 692 C CYS A 45 13.443 1.227 -1.188 1.00 0.00 C ATOM 693 O CYS A 45 12.713 1.868 -1.911 1.00 0.00 O ATOM 694 CB CYS A 45 14.873 2.243 0.677 1.00 0.00 C ATOM 695 SG CYS A 45 13.639 1.396 1.694 1.00 0.00 S ATOM 0 H CYS A 45 14.359 3.570 -1.804 1.00 0.00 H new ATOM 0 HA CYS A 45 15.510 0.923 -0.952 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.867 2.070 1.089 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.698 3.318 0.710 1.00 0.00 H new ATOM 700 N LYS A 46 13.087 0.052 -0.736 1.00 0.00 N ATOM 701 CA LYS A 46 11.764 -0.532 -1.117 1.00 0.00 C ATOM 702 C LYS A 46 10.637 -0.037 -0.212 1.00 0.00 C ATOM 703 O LYS A 46 10.854 0.688 0.733 1.00 0.00 O ATOM 704 CB LYS A 46 11.946 -2.038 -0.957 1.00 0.00 C ATOM 705 CG LYS A 46 12.571 -2.617 -2.224 1.00 0.00 C ATOM 706 CD LYS A 46 12.546 -4.143 -2.148 1.00 0.00 C ATOM 707 CE LYS A 46 11.102 -4.623 -1.987 1.00 0.00 C ATOM 708 NZ LYS A 46 11.057 -5.256 -0.639 1.00 0.00 N ATOM 0 H LYS A 46 13.655 -0.529 -0.119 1.00 0.00 H new ATOM 0 HA LYS A 46 11.481 -0.242 -2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.582 -2.248 -0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.984 -2.512 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.023 -2.276 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.596 -2.264 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.984 -4.570 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.150 -4.486 -1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.399 -3.793 -2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.833 -5.335 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.097 -5.611 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.731 -6.047 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.311 -4.552 0.084 1.00 0.00 H new ATOM 722 N ILE A 47 9.424 -0.413 -0.525 1.00 0.00 N ATOM 723 CA ILE A 47 8.258 0.048 0.281 1.00 0.00 C ATOM 724 C ILE A 47 7.444 -1.133 0.819 1.00 0.00 C ATOM 725 O ILE A 47 6.978 -1.963 0.063 1.00 0.00 O ATOM 726 CB ILE A 47 7.421 0.847 -0.711 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.343 1.778 -1.490 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.372 1.666 0.041 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.905 2.824 -0.534 1.00 0.00 C ATOM 0 H ILE A 47 9.191 -1.023 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 47 8.567 0.625 1.153 1.00 0.00 H new ATOM 0 HB ILE A 47 6.912 0.170 -1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.153 1.211 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.796 2.261 -2.299 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.776 2.236 -0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.722 0.996 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.869 2.351 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.567 3.497 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.086 3.395 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.465 2.329 0.259 1.00 0.00 H new ATOM 741 N PRO A 48 7.282 -1.151 2.114 1.00 0.00 N ATOM 742 CA PRO A 48 6.493 -2.220 2.779 1.00 0.00 C ATOM 743 C PRO A 48 5.042 -2.190 2.296 1.00 0.00 C ATOM 744 O PRO A 48 4.487 -1.141 2.034 1.00 0.00 O ATOM 745 CB PRO A 48 6.560 -1.845 4.257 1.00 0.00 C ATOM 746 CG PRO A 48 7.755 -0.957 4.371 1.00 0.00 C ATOM 747 CD PRO A 48 7.818 -0.194 3.081 1.00 0.00 C ATOM 0 HA PRO A 48 6.873 -3.220 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.653 -1.331 4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.663 -2.730 4.885 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.661 -0.281 5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.663 -1.540 4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.222 0.718 3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.838 0.102 2.835 1.00 0.00 H new ATOM 755 N PHE A 49 4.424 -3.329 2.173 1.00 0.00 N ATOM 756 CA PHE A 49 3.016 -3.366 1.705 1.00 0.00 C ATOM 757 C PHE A 49 2.298 -4.593 2.275 1.00 0.00 C ATOM 758 O PHE A 49 2.919 -5.580 2.617 1.00 0.00 O ATOM 759 CB PHE A 49 3.139 -3.483 0.196 1.00 0.00 C ATOM 760 CG PHE A 49 1.950 -2.821 -0.463 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.972 -1.445 -0.727 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.825 -3.579 -0.806 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.871 -0.830 -1.333 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.277 -2.963 -1.412 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.254 -1.589 -1.675 1.00 0.00 C ATOM 0 H PHE A 49 4.837 -4.239 2.378 1.00 0.00 H new ATOM 0 HA PHE A 49 2.442 -2.494 2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.063 -3.013 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.191 -4.532 -0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.840 -0.859 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.807 -4.640 -0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.889 0.230 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.145 -3.549 -1.676 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.104 -1.114 -2.142 1.00 0.00 H new ATOM 775 N GLU A 50 0.996 -4.548 2.373 1.00 0.00 N ATOM 776 CA GLU A 50 0.252 -5.723 2.913 1.00 0.00 C ATOM 777 C GLU A 50 -1.258 -5.496 2.787 1.00 0.00 C ATOM 778 O GLU A 50 -1.876 -4.877 3.630 1.00 0.00 O ATOM 779 CB GLU A 50 0.667 -5.818 4.382 1.00 0.00 C ATOM 780 CG GLU A 50 -0.293 -6.749 5.128 1.00 0.00 C ATOM 781 CD GLU A 50 -0.064 -8.191 4.670 1.00 0.00 C ATOM 782 OE1 GLU A 50 0.751 -8.389 3.784 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.706 -9.073 5.215 1.00 0.00 O ATOM 0 H GLU A 50 0.418 -3.752 2.104 1.00 0.00 H new ATOM 0 HA GLU A 50 0.478 -6.641 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.687 -6.194 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.657 -4.828 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.133 -6.668 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.325 -6.455 4.936 1.00 0.00 H new ATOM 790 N ILE A 51 -1.855 -5.997 1.740 1.00 0.00 N ATOM 791 CA ILE A 51 -3.325 -5.813 1.558 1.00 0.00 C ATOM 792 C ILE A 51 -4.093 -6.904 2.309 1.00 0.00 C ATOM 793 O ILE A 51 -4.411 -7.941 1.763 1.00 0.00 O ATOM 794 CB ILE A 51 -3.556 -5.939 0.051 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.842 -4.794 -0.672 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.056 -5.869 -0.242 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.875 -5.040 -2.182 1.00 0.00 C ATOM 0 H ILE A 51 -1.389 -6.526 1.002 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.671 -4.855 1.947 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.161 -6.893 -0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.325 -3.845 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.810 -4.720 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.222 -5.959 -1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.566 -6.683 0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.451 -4.915 0.108 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.366 -4.224 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.372 -5.980 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.910 -5.091 -2.520 1.00 0.00 H new ATOM 970 N GLY A 61 -4.177 -10.341 -1.531 1.00 0.00 N ATOM 971 CA GLY A 61 -4.143 -9.446 -2.721 1.00 0.00 C ATOM 972 C GLY A 61 -2.847 -9.684 -3.494 1.00 0.00 C ATOM 973 O GLY A 61 -2.203 -10.704 -3.345 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.003 -9.641 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.208 -8.404 -2.409 1.00 0.00 H new ATOM 977 N ARG A 62 -2.458 -8.754 -4.316 1.00 0.00 N ATOM 978 CA ARG A 62 -1.202 -8.926 -5.095 1.00 0.00 C ATOM 979 C ARG A 62 -0.586 -7.562 -5.375 1.00 0.00 C ATOM 980 O ARG A 62 -1.237 -6.545 -5.249 1.00 0.00 O ATOM 981 CB ARG A 62 -1.629 -9.590 -6.402 1.00 0.00 C ATOM 982 CG ARG A 62 -0.745 -10.810 -6.665 1.00 0.00 C ATOM 983 CD ARG A 62 0.035 -10.604 -7.966 1.00 0.00 C ATOM 984 NE ARG A 62 -0.581 -11.548 -8.938 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.113 -11.637 -10.154 1.00 0.00 C ATOM 986 NH1 ARG A 62 0.903 -10.903 -10.521 1.00 0.00 N ATOM 987 NH2 ARG A 62 -0.658 -12.463 -11.005 1.00 0.00 N ATOM 0 H ARG A 62 -2.956 -7.880 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.460 -9.521 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.675 -9.891 -6.345 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.545 -8.882 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.055 -10.958 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.358 -11.709 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.042 -9.574 -8.313 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.095 -10.816 -7.828 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.371 -12.127 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.333 -10.259 -9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.267 -10.974 -11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.450 -13.039 -10.720 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.292 -12.532 -11.955 1.00 0.00 H new ATOM 1001 N LEU A 63 0.655 -7.520 -5.757 1.00 0.00 N ATOM 1002 CA LEU A 63 1.271 -6.203 -6.041 1.00 0.00 C ATOM 1003 C LEU A 63 1.794 -6.154 -7.476 1.00 0.00 C ATOM 1004 O LEU A 63 2.642 -6.928 -7.869 1.00 0.00 O ATOM 1005 CB LEU A 63 2.420 -6.057 -5.042 1.00 0.00 C ATOM 1006 CG LEU A 63 1.918 -5.365 -3.774 1.00 0.00 C ATOM 1007 CD1 LEU A 63 3.065 -5.255 -2.777 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.417 -3.958 -4.102 1.00 0.00 C ATOM 0 H LEU A 63 1.262 -8.330 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 63 0.549 -5.392 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.827 -7.038 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.230 -5.479 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 63 1.101 -5.950 -3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.713 -4.762 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.429 -6.252 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.874 -4.672 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.062 -3.476 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.231 -3.372 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.600 -4.021 -4.821 1.00 0.00 H new ATOM 1020 N ILE A 64 1.313 -5.226 -8.252 1.00 0.00 N ATOM 1021 CA ILE A 64 1.802 -5.092 -9.649 1.00 0.00 C ATOM 1022 C ILE A 64 3.095 -4.290 -9.592 1.00 0.00 C ATOM 1023 O ILE A 64 3.982 -4.425 -10.412 1.00 0.00 O ATOM 1024 CB ILE A 64 0.714 -4.315 -10.389 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.476 -5.233 -10.698 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.283 -3.772 -11.701 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.931 -5.948 -9.424 1.00 0.00 C ATOM 0 H ILE A 64 0.599 -4.552 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 64 1.995 -6.043 -10.145 1.00 0.00 H new ATOM 0 HB ILE A 64 0.376 -3.492 -9.760 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.299 -4.649 -11.110 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.194 -5.965 -11.455 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.509 -3.217 -12.231 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.122 -3.110 -11.487 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.624 -4.601 -12.321 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.776 -6.597 -9.653 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.110 -6.547 -9.030 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.232 -5.210 -8.680 1.00 0.00 H new ATOM 1039 N THR A 65 3.193 -3.465 -8.588 1.00 0.00 N ATOM 1040 CA THR A 65 4.402 -2.635 -8.379 1.00 0.00 C ATOM 1041 C THR A 65 5.295 -3.360 -7.362 1.00 0.00 C ATOM 1042 O THR A 65 5.995 -2.771 -6.565 1.00 0.00 O ATOM 1043 CB THR A 65 3.825 -1.320 -7.836 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.504 -0.465 -8.925 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.823 -0.618 -6.924 1.00 0.00 C ATOM 0 H THR A 65 2.464 -3.331 -7.888 1.00 0.00 H new ATOM 0 HA THR A 65 5.017 -2.458 -9.261 1.00 0.00 H new ATOM 0 HB THR A 65 2.930 -1.549 -7.257 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.442 0.460 -8.607 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.387 0.310 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.065 -1.266 -6.082 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.732 -0.395 -7.483 1.00 0.00 H new ATOM 1053 N VAL A 66 5.244 -4.661 -7.405 1.00 0.00 N ATOM 1054 CA VAL A 66 6.043 -5.506 -6.469 1.00 0.00 C ATOM 1055 C VAL A 66 7.391 -4.862 -6.156 1.00 0.00 C ATOM 1056 O VAL A 66 8.044 -4.301 -7.013 1.00 0.00 O ATOM 1057 CB VAL A 66 6.243 -6.832 -7.210 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.399 -7.613 -6.578 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.966 -7.667 -7.114 1.00 0.00 C ATOM 0 H VAL A 66 4.670 -5.188 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 66 5.537 -5.635 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 66 6.473 -6.624 -8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.536 -8.555 -7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.314 -7.024 -6.642 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.171 -7.817 -5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.108 -8.611 -7.641 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.740 -7.867 -6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.139 -7.120 -7.566 1.00 0.00 H new ATOM 1069 N ASN A 67 7.815 -4.957 -4.929 1.00 0.00 N ATOM 1070 CA ASN A 67 9.124 -4.372 -4.545 1.00 0.00 C ATOM 1071 C ASN A 67 9.166 -2.878 -4.882 1.00 0.00 C ATOM 1072 O ASN A 67 10.133 -2.396 -5.438 1.00 0.00 O ATOM 1073 CB ASN A 67 10.145 -5.147 -5.383 1.00 0.00 C ATOM 1074 CG ASN A 67 11.566 -4.822 -4.915 1.00 0.00 C ATOM 1075 OD1 ASN A 67 11.878 -3.687 -4.622 1.00 0.00 O ATOM 1076 ND2 ASN A 67 12.447 -5.781 -4.838 1.00 0.00 N ATOM 0 H ASN A 67 7.308 -5.417 -4.173 1.00 0.00 H new ATOM 0 HA ASN A 67 9.320 -4.450 -3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.961 -6.218 -5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.033 -4.889 -6.436 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.398 -5.576 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.185 -6.735 -5.084 1.00 0.00 H new ATOM 1083 N PRO A 68 8.117 -2.187 -4.525 1.00 0.00 N ATOM 1084 CA PRO A 68 8.056 -0.732 -4.791 1.00 0.00 C ATOM 1085 C PRO A 68 9.228 -0.048 -4.091 1.00 0.00 C ATOM 1086 O PRO A 68 9.666 -0.489 -3.048 1.00 0.00 O ATOM 1087 CB PRO A 68 6.716 -0.284 -4.206 1.00 0.00 C ATOM 1088 CG PRO A 68 6.190 -1.447 -3.413 1.00 0.00 C ATOM 1089 CD PRO A 68 6.916 -2.689 -3.859 1.00 0.00 C ATOM 0 HA PRO A 68 8.126 -0.481 -5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.843 0.593 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.020 -0.007 -4.998 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.343 -1.280 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.117 -1.558 -3.568 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.168 -3.328 -3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.305 -3.285 -4.537 1.00 0.00 H new ATOM 1097 N ILE A 69 9.767 0.999 -4.663 1.00 0.00 N ATOM 1098 CA ILE A 69 10.945 1.649 -4.023 1.00 0.00 C ATOM 1099 C ILE A 69 10.911 3.178 -4.124 1.00 0.00 C ATOM 1100 O ILE A 69 10.432 3.744 -5.086 1.00 0.00 O ATOM 1101 CB ILE A 69 12.129 1.120 -4.834 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.202 -0.415 -4.675 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.427 1.810 -4.374 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.585 -0.864 -4.181 1.00 0.00 C ATOM 0 H ILE A 69 9.447 1.425 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 69 10.985 1.425 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 69 11.997 1.347 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.438 -0.746 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.983 -0.892 -5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.267 1.429 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.340 2.886 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.594 1.604 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.601 -1.949 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.345 -0.555 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.792 -0.407 -3.213 1.00 0.00 H new ATOM 1116 N VAL A 70 11.485 3.839 -3.152 1.00 0.00 N ATOM 1117 CA VAL A 70 11.568 5.329 -3.190 1.00 0.00 C ATOM 1118 C VAL A 70 12.949 5.693 -3.728 1.00 0.00 C ATOM 1119 O VAL A 70 13.805 4.840 -3.844 1.00 0.00 O ATOM 1120 CB VAL A 70 11.420 5.797 -1.739 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.383 7.326 -1.686 1.00 0.00 C ATOM 1122 CG2 VAL A 70 10.119 5.250 -1.163 1.00 0.00 C ATOM 0 H VAL A 70 11.903 3.407 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 70 10.805 5.789 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 70 12.268 5.434 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.278 7.652 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.308 7.727 -2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.537 7.690 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.011 5.581 -0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.278 5.616 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.137 4.161 -1.195 1.00 0.00 H new ATOM 1132 N THR A 71 13.188 6.929 -4.062 1.00 0.00 N ATOM 1133 CA THR A 71 14.535 7.283 -4.594 1.00 0.00 C ATOM 1134 C THR A 71 15.192 8.377 -3.752 1.00 0.00 C ATOM 1135 O THR A 71 16.396 8.542 -3.774 1.00 0.00 O ATOM 1136 CB THR A 71 14.289 7.779 -6.017 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.350 6.927 -6.660 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.608 7.764 -6.790 1.00 0.00 C ATOM 0 H THR A 71 12.523 7.699 -3.992 1.00 0.00 H new ATOM 0 HA THR A 71 15.211 6.428 -4.568 1.00 0.00 H new ATOM 0 HB THR A 71 13.894 8.795 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.190 7.246 -7.573 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.438 8.117 -7.807 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.327 8.416 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.001 6.748 -6.820 1.00 0.00 H new ATOM 1146 N GLU A 72 14.428 9.134 -3.017 1.00 0.00 N ATOM 1147 CA GLU A 72 15.049 10.211 -2.196 1.00 0.00 C ATOM 1148 C GLU A 72 14.444 10.255 -0.794 1.00 0.00 C ATOM 1149 O GLU A 72 14.578 11.230 -0.082 1.00 0.00 O ATOM 1150 CB GLU A 72 14.746 11.504 -2.949 1.00 0.00 C ATOM 1151 CG GLU A 72 15.273 11.394 -4.380 1.00 0.00 C ATOM 1152 CD GLU A 72 15.753 12.767 -4.856 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.582 13.722 -4.116 1.00 0.00 O ATOM 1154 OE2 GLU A 72 16.282 12.840 -5.953 1.00 0.00 O ATOM 0 H GLU A 72 13.413 9.057 -2.948 1.00 0.00 H new ATOM 0 HA GLU A 72 16.119 10.049 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.672 11.689 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.211 12.350 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.092 10.676 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.489 11.023 -5.040 1.00 0.00 H new ATOM 1161 N LYS A 73 13.779 9.207 -0.390 1.00 0.00 N ATOM 1162 CA LYS A 73 13.163 9.183 0.971 1.00 0.00 C ATOM 1163 C LYS A 73 11.940 10.100 1.035 1.00 0.00 C ATOM 1164 O LYS A 73 11.247 10.143 2.027 1.00 0.00 O ATOM 1165 CB LYS A 73 14.254 9.679 1.924 1.00 0.00 C ATOM 1166 CG LYS A 73 14.072 9.028 3.297 1.00 0.00 C ATOM 1167 CD LYS A 73 13.511 10.057 4.279 1.00 0.00 C ATOM 1168 CE LYS A 73 14.460 10.196 5.472 1.00 0.00 C ATOM 1169 NZ LYS A 73 15.248 11.430 5.195 1.00 0.00 N ATOM 0 H LYS A 73 13.634 8.363 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 73 12.817 8.183 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.238 9.437 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.205 10.764 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.396 8.176 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.026 8.646 3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.390 11.020 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.523 9.748 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.908 10.282 6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.109 9.325 5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.922 11.593 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.768 11.316 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.604 12.243 5.120 1.00 0.00 H new ATOM 1183 N ASP A 74 11.668 10.837 -0.004 1.00 0.00 N ATOM 1184 CA ASP A 74 10.488 11.741 0.020 1.00 0.00 C ATOM 1185 C ASP A 74 9.757 11.701 -1.324 1.00 0.00 C ATOM 1186 O ASP A 74 8.761 12.368 -1.517 1.00 0.00 O ATOM 1187 CB ASP A 74 11.076 13.126 0.267 1.00 0.00 C ATOM 1188 CG ASP A 74 10.004 14.041 0.863 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.165 14.507 0.110 1.00 0.00 O ATOM 1190 OD2 ASP A 74 10.040 14.261 2.062 1.00 0.00 O ATOM 0 H ASP A 74 12.211 10.852 -0.867 1.00 0.00 H new ATOM 0 HA ASP A 74 9.760 11.457 0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.926 13.055 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.448 13.546 -0.667 1.00 0.00 H new ATOM 1195 N SER A 75 10.237 10.920 -2.253 1.00 0.00 N ATOM 1196 CA SER A 75 9.557 10.841 -3.574 1.00 0.00 C ATOM 1197 C SER A 75 8.252 10.054 -3.430 1.00 0.00 C ATOM 1198 O SER A 75 8.272 8.854 -3.241 1.00 0.00 O ATOM 1199 CB SER A 75 10.541 10.097 -4.476 1.00 0.00 C ATOM 1200 OG SER A 75 10.051 10.104 -5.811 1.00 0.00 O ATOM 0 H SER A 75 11.067 10.336 -2.154 1.00 0.00 H new ATOM 0 HA SER A 75 9.300 11.820 -3.979 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.521 10.571 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.668 9.072 -4.128 1.00 0.00 H new ATOM 0 HG SER A 75 10.680 9.629 -6.393 1.00 0.00 H new ATOM 1206 N PRO A 76 7.153 10.756 -3.518 1.00 0.00 N ATOM 1207 CA PRO A 76 5.832 10.104 -3.386 1.00 0.00 C ATOM 1208 C PRO A 76 5.761 8.887 -4.313 1.00 0.00 C ATOM 1209 O PRO A 76 5.732 9.014 -5.521 1.00 0.00 O ATOM 1210 CB PRO A 76 4.828 11.180 -3.811 1.00 0.00 C ATOM 1211 CG PRO A 76 5.636 12.356 -4.279 1.00 0.00 C ATOM 1212 CD PRO A 76 7.036 12.194 -3.750 1.00 0.00 C ATOM 0 HA PRO A 76 5.633 9.742 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.180 10.813 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.183 11.459 -2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.643 12.405 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.198 13.287 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.778 12.546 -4.466 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.185 12.762 -2.831 1.00 0.00 H new ATOM 1220 N VAL A 77 5.741 7.709 -3.756 1.00 0.00 N ATOM 1221 CA VAL A 77 5.682 6.482 -4.603 1.00 0.00 C ATOM 1222 C VAL A 77 4.238 6.011 -4.788 1.00 0.00 C ATOM 1223 O VAL A 77 3.415 6.123 -3.903 1.00 0.00 O ATOM 1224 CB VAL A 77 6.483 5.431 -3.849 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.358 4.106 -4.589 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.953 5.849 -3.809 1.00 0.00 C ATOM 0 H VAL A 77 5.763 7.541 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 77 6.082 6.669 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 77 6.107 5.331 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.927 3.340 -4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.309 3.812 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.748 4.216 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.530 5.098 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.334 5.937 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.044 6.810 -3.303 1.00 0.00 H new ATOM 1236 N ASN A 78 3.939 5.464 -5.934 1.00 0.00 N ATOM 1237 CA ASN A 78 2.566 4.958 -6.203 1.00 0.00 C ATOM 1238 C ASN A 78 2.596 3.430 -6.171 1.00 0.00 C ATOM 1239 O ASN A 78 3.451 2.822 -6.785 1.00 0.00 O ATOM 1240 CB ASN A 78 2.236 5.452 -7.610 1.00 0.00 C ATOM 1241 CG ASN A 78 2.540 6.948 -7.712 1.00 0.00 C ATOM 1242 OD1 ASN A 78 3.633 7.380 -7.405 1.00 0.00 O ATOM 1243 ND2 ASN A 78 1.612 7.763 -8.135 1.00 0.00 N ATOM 0 H ASN A 78 4.597 5.345 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 78 1.830 5.298 -5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.820 4.901 -8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.185 5.268 -7.834 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.805 8.762 -8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.694 7.401 -8.393 1.00 0.00 H new ATOM 1250 N ILE A 79 1.706 2.778 -5.465 1.00 0.00 N ATOM 1251 CA ILE A 79 1.788 1.292 -5.451 1.00 0.00 C ATOM 1252 C ILE A 79 0.606 0.654 -6.166 1.00 0.00 C ATOM 1253 O ILE A 79 -0.533 0.780 -5.768 1.00 0.00 O ATOM 1254 CB ILE A 79 1.813 0.899 -3.986 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.969 1.647 -3.298 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.011 -0.616 -3.890 1.00 0.00 C ATOM 1257 CD1 ILE A 79 4.276 0.861 -3.442 1.00 0.00 C ATOM 0 H ILE A 79 0.953 3.194 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 79 2.675 0.944 -5.980 1.00 0.00 H new ATOM 0 HB ILE A 79 0.878 1.164 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.083 2.637 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.739 1.792 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.031 -0.915 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.189 -1.123 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.954 -0.890 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.083 1.404 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.164 -0.120 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.513 0.739 -4.499 1.00 0.00 H new ATOM 1269 N GLU A 80 0.898 -0.051 -7.217 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.163 -0.740 -7.995 1.00 0.00 C ATOM 1271 C GLU A 80 -0.309 -2.177 -7.489 1.00 0.00 C ATOM 1272 O GLU A 80 0.539 -3.009 -7.734 1.00 0.00 O ATOM 1273 CB GLU A 80 0.347 -0.725 -9.436 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.687 -1.381 -10.348 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.277 -0.330 -11.290 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.033 0.843 -11.065 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -1.964 -0.717 -12.221 1.00 0.00 O ATOM 0 H GLU A 80 1.844 -0.182 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.139 -0.263 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.533 0.300 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.296 -1.257 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.223 -2.182 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.478 -1.835 -9.751 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.362 -2.482 -6.779 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.516 -3.876 -6.267 1.00 0.00 C ATOM 1286 C ALA A 81 -2.901 -4.435 -6.587 1.00 0.00 C ATOM 1287 O ALA A 81 -3.857 -3.709 -6.755 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.300 -3.781 -4.753 1.00 0.00 C ATOM 0 H ALA A 81 -2.113 -1.837 -6.533 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.803 -4.554 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.399 -4.771 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.302 -3.391 -4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.045 -3.113 -4.320 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.001 -5.733 -6.685 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.307 -6.369 -7.005 1.00 0.00 C ATOM 1296 C GLU A 82 -4.992 -6.855 -5.725 1.00 0.00 C ATOM 1297 O GLU A 82 -4.619 -7.867 -5.165 1.00 0.00 O ATOM 1298 CB GLU A 82 -3.934 -7.551 -7.898 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.204 -8.251 -8.385 1.00 0.00 C ATOM 1300 CD GLU A 82 -4.877 -9.109 -9.609 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.267 -8.589 -10.528 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.242 -10.274 -9.605 1.00 0.00 O ATOM 0 H GLU A 82 -2.226 -6.384 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.004 -5.683 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.349 -7.205 -8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.309 -8.253 -7.346 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.616 -8.874 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.965 -7.513 -8.638 1.00 0.00 H new ATOM 1309 N PRO A 83 -5.975 -6.108 -5.303 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.729 -6.457 -4.073 1.00 0.00 C ATOM 1311 C PRO A 83 -7.601 -7.693 -4.310 1.00 0.00 C ATOM 1312 O PRO A 83 -8.135 -7.879 -5.385 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.598 -5.229 -3.820 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.722 -4.558 -5.150 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.472 -4.878 -5.928 1.00 0.00 C ATOM 0 HA PRO A 83 -6.079 -6.697 -3.231 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.575 -5.512 -3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.140 -4.567 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.606 -4.913 -5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.834 -3.481 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.687 -5.026 -6.986 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.742 -4.072 -5.860 1.00 0.00 H new ATOM 1323 N PRO A 84 -7.718 -8.494 -3.287 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.540 -9.725 -3.377 1.00 0.00 C ATOM 1325 C PRO A 84 -9.992 -9.367 -3.708 1.00 0.00 C ATOM 1326 O PRO A 84 -10.258 -8.460 -4.472 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.440 -10.345 -1.981 1.00 0.00 C ATOM 1328 CG PRO A 84 -7.266 -9.683 -1.329 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.103 -8.331 -1.970 1.00 0.00 C ATOM 0 HA PRO A 84 -8.201 -10.405 -4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.353 -10.175 -1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.298 -11.424 -2.041 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.428 -9.583 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.365 -10.282 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.598 -7.551 -1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.053 -8.050 -2.051 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.026 -3.786 3.017 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.229 -2.659 3.582 1.00 0.00 C ATOM 1389 C TYR A 89 -5.775 -2.752 3.115 1.00 0.00 C ATOM 1390 O TYR A 89 -5.004 -3.548 3.612 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.310 -2.822 5.100 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.732 -3.130 5.505 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.656 -2.089 5.660 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.126 -4.455 5.728 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.975 -2.375 6.037 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.443 -4.740 6.105 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.368 -3.699 6.259 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.666 -3.980 6.631 1.00 0.00 O ATOM 0 HA TYR A 89 -7.610 -1.690 3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.648 -3.624 5.425 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.971 -1.910 5.592 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.352 -1.067 5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.413 -5.257 5.609 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.688 -1.573 6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.746 -5.762 6.277 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.772 -4.948 6.744 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.392 -1.939 2.170 1.00 0.00 N ATOM 1409 CA ILE A 90 -3.984 -1.978 1.683 1.00 0.00 C ATOM 1410 C ILE A 90 -3.066 -1.339 2.726 1.00 0.00 C ATOM 1411 O ILE A 90 -3.183 -0.170 3.034 1.00 0.00 O ATOM 1412 CB ILE A 90 -3.988 -1.160 0.393 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.785 -1.906 -0.681 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.551 -0.958 -0.088 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.799 -0.956 -1.319 1.00 0.00 C ATOM 0 H ILE A 90 -5.991 -1.251 1.715 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.624 -2.993 1.513 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.448 -0.190 0.580 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.110 -2.299 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.299 -2.760 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.554 -0.374 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.983 -0.428 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.090 -1.928 -0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.365 -1.488 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.481 -0.585 -0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.274 -0.117 -1.775 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.159 -2.096 3.280 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.248 -1.522 4.310 1.00 0.00 C ATOM 1429 C ILE A 91 0.058 -1.056 3.666 1.00 0.00 C ATOM 1430 O ILE A 91 0.529 -1.626 2.701 1.00 0.00 O ATOM 1431 CB ILE A 91 -0.987 -2.663 5.291 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.264 -2.958 6.082 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.128 -2.256 6.256 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.235 -4.404 6.582 1.00 0.00 C ATOM 0 H ILE A 91 -2.010 -3.082 3.065 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.683 -0.653 4.804 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.687 -3.555 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.348 -2.273 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.139 -2.798 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.317 -3.069 6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.037 -2.044 5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.174 -1.365 6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.145 -4.613 7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.171 -5.082 5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.368 -4.549 7.227 1.00 0.00 H new ATOM 1446 N ILE A 92 0.643 -0.019 4.196 1.00 0.00 N ATOM 1447 CA ILE A 92 1.918 0.497 3.624 1.00 0.00 C ATOM 1448 C ILE A 92 2.917 0.754 4.754 1.00 0.00 C ATOM 1449 O ILE A 92 2.560 1.244 5.804 1.00 0.00 O ATOM 1450 CB ILE A 92 1.519 1.805 2.923 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.232 1.516 1.451 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.645 2.840 3.024 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.446 2.682 0.853 1.00 0.00 C ATOM 0 H ILE A 92 0.292 0.496 5.004 1.00 0.00 H new ATOM 0 HA ILE A 92 2.396 -0.199 2.935 1.00 0.00 H new ATOM 0 HB ILE A 92 0.631 2.207 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.166 1.375 0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.664 0.591 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.341 3.758 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.851 3.052 4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.544 2.447 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.239 2.480 -0.198 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.494 2.801 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.032 3.597 0.938 1.00 0.00 H new ATOM 1465 N GLY A 93 4.164 0.431 4.559 1.00 0.00 N ATOM 1466 CA GLY A 93 5.146 0.671 5.641 1.00 0.00 C ATOM 1467 C GLY A 93 5.086 -0.495 6.620 1.00 0.00 C ATOM 1468 O GLY A 93 4.597 -1.561 6.303 1.00 0.00 O ATOM 0 H GLY A 93 4.539 0.016 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.150 0.766 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.923 1.607 6.153 1.00 0.00 H new ATOM 1472 N VAL A 94 5.578 -0.308 7.802 1.00 0.00 N ATOM 1473 CA VAL A 94 5.550 -1.415 8.794 1.00 0.00 C ATOM 1474 C VAL A 94 4.799 -0.980 10.045 1.00 0.00 C ATOM 1475 O VAL A 94 4.804 0.182 10.397 1.00 0.00 O ATOM 1476 CB VAL A 94 7.017 -1.722 9.114 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.473 -2.891 8.239 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.897 -0.499 8.816 1.00 0.00 C ATOM 0 H VAL A 94 5.999 0.561 8.129 1.00 0.00 H new ATOM 0 HA VAL A 94 5.037 -2.296 8.408 1.00 0.00 H new ATOM 0 HB VAL A 94 7.110 -1.974 10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.516 -3.122 8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.857 -3.765 8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.372 -2.620 7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.936 -0.733 9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.811 -0.237 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.569 0.342 9.426 1.00 0.00 H new ATOM 1488 N GLU A 95 4.154 -1.917 10.704 1.00 0.00 N ATOM 1489 CA GLU A 95 3.374 -1.616 11.951 1.00 0.00 C ATOM 1490 C GLU A 95 3.766 -0.265 12.555 1.00 0.00 C ATOM 1491 O GLU A 95 2.931 0.601 12.708 1.00 0.00 O ATOM 1492 CB GLU A 95 3.728 -2.750 12.915 1.00 0.00 C ATOM 1493 CG GLU A 95 2.714 -3.885 12.763 1.00 0.00 C ATOM 1494 CD GLU A 95 3.455 -5.217 12.638 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.734 -5.816 13.665 1.00 0.00 O ATOM 1496 OE2 GLU A 95 3.730 -5.617 11.519 1.00 0.00 O ATOM 0 H GLU A 95 4.135 -2.898 10.424 1.00 0.00 H new ATOM 0 HA GLU A 95 2.305 -1.553 11.745 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.734 -3.116 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.727 -2.383 13.941 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.046 -3.908 13.624 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.094 -3.718 11.882 1.00 0.00 H new ATOM 1503 N PRO A 96 5.029 -0.136 12.874 1.00 0.00 N ATOM 1504 CA PRO A 96 5.557 1.127 13.461 1.00 0.00 C ATOM 1505 C PRO A 96 5.178 2.360 12.620 1.00 0.00 C ATOM 1506 O PRO A 96 6.020 2.970 11.991 1.00 0.00 O ATOM 1507 CB PRO A 96 7.079 0.925 13.452 1.00 0.00 C ATOM 1508 CG PRO A 96 7.326 -0.303 12.633 1.00 0.00 C ATOM 1509 CD PRO A 96 6.087 -1.139 12.738 1.00 0.00 C ATOM 0 HA PRO A 96 5.147 1.315 14.453 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.585 1.789 13.022 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.463 0.802 14.465 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.532 -0.042 11.595 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.195 -0.848 13.003 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.943 -1.761 11.855 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.122 -1.808 13.597 1.00 0.00 H new ATOM 1517 N GLY A 97 3.929 2.750 12.626 1.00 0.00 N ATOM 1518 CA GLY A 97 3.516 3.960 11.853 1.00 0.00 C ATOM 1519 C GLY A 97 3.089 3.582 10.431 1.00 0.00 C ATOM 1520 O GLY A 97 2.727 4.431 9.640 1.00 0.00 O ATOM 0 H GLY A 97 3.177 2.283 13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.692 4.459 12.364 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.342 4.670 11.812 1.00 0.00 H new ATOM 1524 N GLN A 98 3.125 2.324 10.094 1.00 0.00 N ATOM 1525 CA GLN A 98 2.716 1.909 8.719 1.00 0.00 C ATOM 1526 C GLN A 98 1.372 2.556 8.347 1.00 0.00 C ATOM 1527 O GLN A 98 0.619 2.983 9.200 1.00 0.00 O ATOM 1528 CB GLN A 98 2.628 0.372 8.805 1.00 0.00 C ATOM 1529 CG GLN A 98 1.258 -0.147 8.346 1.00 0.00 C ATOM 1530 CD GLN A 98 1.087 -1.597 8.801 1.00 0.00 C ATOM 1531 OE1 GLN A 98 2.121 -2.392 8.807 1.00 0.00 O flip ATOM 1532 NE2 GLN A 98 0.001 -2.009 9.157 1.00 0.00 N flip ATOM 0 H GLN A 98 3.419 1.564 10.708 1.00 0.00 H new ATOM 0 HA GLN A 98 3.412 2.224 7.942 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.410 -0.072 8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.812 0.054 9.831 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.464 0.473 8.762 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.177 -0.083 7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.807 -1.387 9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.103 -2.977 9.461 1.00 0.00 H new ATOM 1541 N LEU A 99 1.070 2.631 7.076 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.219 3.250 6.647 1.00 0.00 C ATOM 1543 C LEU A 99 -1.281 2.172 6.404 1.00 0.00 C ATOM 1544 O LEU A 99 -1.021 0.991 6.517 1.00 0.00 O ATOM 1545 CB LEU A 99 0.109 3.972 5.342 1.00 0.00 C ATOM 1546 CG LEU A 99 0.528 5.410 5.645 1.00 0.00 C ATOM 1547 CD1 LEU A 99 1.011 6.077 4.358 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.669 6.184 6.201 1.00 0.00 C ATOM 0 H LEU A 99 1.661 2.290 6.317 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.621 3.923 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.910 3.451 4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.759 3.966 4.683 1.00 0.00 H new ATOM 0 HG LEU A 99 1.332 5.408 6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.311 7.103 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.862 5.525 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.205 6.079 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.370 7.210 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.473 6.188 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.017 5.707 7.117 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.475 2.578 6.064 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.565 1.590 5.807 1.00 0.00 C ATOM 1562 C LYS A 100 -4.647 2.216 4.921 1.00 0.00 C ATOM 1563 O LYS A 100 -5.034 3.352 5.110 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.131 1.261 7.185 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.037 -0.247 7.429 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.580 -0.573 8.822 1.00 0.00 C ATOM 1567 CE LYS A 100 -6.087 -0.308 8.858 1.00 0.00 C ATOM 1568 NZ LYS A 100 -6.695 -1.450 8.119 1.00 0.00 N ATOM 0 H LYS A 100 -2.744 3.555 5.953 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.204 0.701 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.579 1.800 7.955 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.169 1.587 7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.605 -0.785 6.670 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.001 -0.576 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.377 -1.615 9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.075 0.036 9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.455 -0.260 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.332 0.643 8.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.383 -1.089 7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.949 -1.979 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.178 -2.080 8.791 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.137 1.486 3.955 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.192 2.048 3.062 1.00 0.00 C ATOM 1584 C LEU A 101 -7.275 0.998 2.789 1.00 0.00 C ATOM 1585 O LEU A 101 -7.016 -0.037 2.206 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.461 2.415 1.770 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.274 3.321 2.097 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -2.981 2.507 2.055 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.197 4.452 1.068 1.00 0.00 C ATOM 0 H LEU A 101 -4.854 0.529 3.746 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.693 2.908 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.115 1.512 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.141 2.922 1.086 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.405 3.743 3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.136 3.154 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.034 1.702 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.850 2.084 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.351 5.098 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.068 4.029 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.118 5.035 1.098 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.484 1.257 3.208 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.582 0.275 2.976 1.00 0.00 C ATOM 1603 C ASN A 102 -10.165 0.448 1.570 1.00 0.00 C ATOM 1604 O ASN A 102 -10.537 1.533 1.171 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.635 0.605 4.035 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.222 1.990 3.759 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -10.581 2.993 4.000 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.424 2.088 3.259 1.00 0.00 N ATOM 0 H ASN A 102 -8.759 2.106 3.701 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.235 -0.756 3.049 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.426 -0.145 4.023 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.187 0.580 5.028 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.825 3.007 3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.962 1.246 3.057 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.249 -0.616 0.817 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.809 -0.512 -0.560 1.00 0.00 C ATOM 1617 C TRP A 103 -12.039 -1.414 -0.699 1.00 0.00 C ATOM 1618 O TRP A 103 -12.079 -2.510 -0.176 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.686 -0.992 -1.481 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.863 -0.392 -2.839 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -9.988 -1.096 -3.987 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -9.937 1.015 -3.211 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.135 -0.211 -5.040 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.110 1.102 -4.612 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -9.873 2.213 -2.476 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.215 2.332 -5.262 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -9.978 3.452 -3.127 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.148 3.512 -4.517 1.00 0.00 C ATOM 0 H TRP A 103 -9.954 -1.552 1.096 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.129 0.502 -0.801 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.718 -0.708 -1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.697 -2.080 -1.548 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -9.975 -2.173 -4.068 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.248 -0.494 -6.014 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.742 2.179 -1.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.347 2.372 -6.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -9.927 4.365 -2.553 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.227 4.469 -5.011 1.00 0.00 H new