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 -161:sc= 0.988 USER MOD Set 1.2: A 31 THR OG1 : rot 168:sc= 0.538! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0217 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+ 147:sc= -0.0642 (180deg=-1.09) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -3.03! C(o=-3!,f=-2.6!) USER MOD Single : A 38 TYR OH : rot 168:sc= -0.422 USER MOD Single : A 43 SER OG : rot 180:sc= -3.63! USER MOD Single : A 46 LYS NZ :NH3+ -125:sc= 0.215 (180deg=-0.473) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= -0.112 (180deg=-1.52) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.86 K(o=-1.9,f=-2.4!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -6.25! C(o=-6.2!,f=-6.3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.424 K(o=-0.42,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 11.915 -0.334 3.171 1.00 0.00 N ATOM 216 CA CYS A 14 11.639 0.900 3.954 1.00 0.00 C ATOM 217 C CYS A 14 10.754 0.556 5.154 1.00 0.00 C ATOM 218 O CYS A 14 9.562 0.361 5.025 1.00 0.00 O ATOM 219 CB CYS A 14 10.925 1.843 2.977 1.00 0.00 C ATOM 220 SG CYS A 14 12.136 2.596 1.854 1.00 0.00 S ATOM 0 HA CYS A 14 12.542 1.363 4.353 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.179 1.292 2.405 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.395 2.619 3.528 1.00 0.00 H new ATOM 225 N THR A 15 11.336 0.452 6.320 1.00 0.00 N ATOM 226 CA THR A 15 10.537 0.088 7.525 1.00 0.00 C ATOM 227 C THR A 15 10.101 1.330 8.311 1.00 0.00 C ATOM 228 O THR A 15 9.355 1.230 9.265 1.00 0.00 O ATOM 229 CB THR A 15 11.475 -0.771 8.372 1.00 0.00 C ATOM 230 OG1 THR A 15 12.692 -0.071 8.586 1.00 0.00 O ATOM 231 CG2 THR A 15 11.762 -2.087 7.645 1.00 0.00 C ATOM 0 H THR A 15 12.330 0.604 6.489 1.00 0.00 H new ATOM 0 HA THR A 15 9.620 -0.434 7.251 1.00 0.00 H new ATOM 0 HB THR A 15 11.005 -0.984 9.332 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.294 -0.620 9.131 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.431 -2.699 8.250 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.828 -2.624 7.482 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.232 -1.877 6.684 1.00 0.00 H new ATOM 239 N GLY A 16 10.549 2.497 7.935 1.00 0.00 N ATOM 240 CA GLY A 16 10.129 3.710 8.691 1.00 0.00 C ATOM 241 C GLY A 16 8.605 3.855 8.600 1.00 0.00 C ATOM 242 O GLY A 16 7.866 3.007 9.058 1.00 0.00 O ATOM 0 H GLY A 16 11.178 2.662 7.149 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.437 3.629 9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.616 4.595 8.282 1.00 0.00 H new ATOM 246 N LYS A 17 8.125 4.920 8.016 1.00 0.00 N ATOM 247 CA LYS A 17 6.649 5.104 7.905 1.00 0.00 C ATOM 248 C LYS A 17 6.288 5.650 6.519 1.00 0.00 C ATOM 249 O LYS A 17 7.154 5.984 5.734 1.00 0.00 O ATOM 250 CB LYS A 17 6.316 6.129 8.985 1.00 0.00 C ATOM 251 CG LYS A 17 5.613 5.434 10.151 1.00 0.00 C ATOM 252 CD LYS A 17 6.395 5.684 11.442 1.00 0.00 C ATOM 253 CE LYS A 17 7.750 4.978 11.362 1.00 0.00 C ATOM 254 NZ LYS A 17 8.189 4.828 12.779 1.00 0.00 N ATOM 0 H LYS A 17 8.689 5.668 7.612 1.00 0.00 H new ATOM 0 HA LYS A 17 6.097 4.172 8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.228 6.614 9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.676 6.910 8.575 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.595 5.810 10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.540 4.363 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.539 6.754 11.591 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.831 5.315 12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.662 4.009 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.467 5.563 10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.113 4.351 12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.270 5.767 13.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.490 4.261 13.301 1.00 0.00 H new ATOM 268 N PHE A 18 5.022 5.740 6.204 1.00 0.00 N ATOM 269 CA PHE A 18 4.639 6.261 4.860 1.00 0.00 C ATOM 270 C PHE A 18 3.537 7.316 4.956 1.00 0.00 C ATOM 271 O PHE A 18 2.616 7.207 5.740 1.00 0.00 O ATOM 272 CB PHE A 18 4.139 5.046 4.098 1.00 0.00 C ATOM 273 CG PHE A 18 5.321 4.306 3.543 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.067 3.475 4.381 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.685 4.462 2.201 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.179 2.792 3.881 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.799 3.783 1.699 1.00 0.00 C ATOM 278 CZ PHE A 18 7.547 2.947 2.540 1.00 0.00 C ATOM 0 H PHE A 18 4.246 5.479 6.812 1.00 0.00 H new ATOM 0 HA PHE A 18 5.481 6.748 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.563 4.397 4.758 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.473 5.353 3.292 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.784 3.360 5.417 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.107 5.105 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.753 2.146 4.528 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.083 3.902 0.664 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.408 2.422 2.153 1.00 0.00 H new ATOM 288 N LYS A 19 3.627 8.333 4.143 1.00 0.00 N ATOM 289 CA LYS A 19 2.593 9.402 4.149 1.00 0.00 C ATOM 290 C LYS A 19 1.780 9.331 2.856 1.00 0.00 C ATOM 291 O LYS A 19 2.315 9.470 1.775 1.00 0.00 O ATOM 292 CB LYS A 19 3.381 10.708 4.201 1.00 0.00 C ATOM 293 CG LYS A 19 2.412 11.892 4.182 1.00 0.00 C ATOM 294 CD LYS A 19 3.193 13.189 3.966 1.00 0.00 C ATOM 295 CE LYS A 19 3.315 13.467 2.467 1.00 0.00 C ATOM 296 NZ LYS A 19 3.236 14.949 2.342 1.00 0.00 N ATOM 0 H LYS A 19 4.381 8.468 3.469 1.00 0.00 H new ATOM 0 HA LYS A 19 1.898 9.309 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.993 10.740 5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.062 10.768 3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.677 11.761 3.388 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.861 11.939 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.686 14.018 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.184 13.108 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.257 13.087 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.515 12.981 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.312 15.217 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.326 15.281 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.014 15.385 2.877 1.00 0.00 H new ATOM 310 N VAL A 20 0.497 9.124 2.946 1.00 0.00 N ATOM 311 CA VAL A 20 -0.313 9.057 1.700 1.00 0.00 C ATOM 312 C VAL A 20 -0.191 10.385 0.948 1.00 0.00 C ATOM 313 O VAL A 20 -0.328 11.451 1.515 1.00 0.00 O ATOM 314 CB VAL A 20 -1.754 8.826 2.160 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.648 8.591 0.939 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.809 7.596 3.069 1.00 0.00 C ATOM 0 H VAL A 20 -0.020 9.000 3.816 1.00 0.00 H new ATOM 0 HA VAL A 20 0.017 8.265 1.027 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.104 9.701 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.675 8.426 1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.610 9.464 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.296 7.715 0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.835 7.431 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.459 6.722 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.172 7.757 3.939 1.00 0.00 H new ATOM 326 N VAL A 21 0.055 10.320 -0.325 1.00 0.00 N ATOM 327 CA VAL A 21 0.177 11.551 -1.144 1.00 0.00 C ATOM 328 C VAL A 21 -1.091 11.657 -1.980 1.00 0.00 C ATOM 329 O VAL A 21 -1.547 12.726 -2.334 1.00 0.00 O ATOM 330 CB VAL A 21 1.420 11.313 -2.008 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.611 12.460 -2.998 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.652 11.227 -1.104 1.00 0.00 C ATOM 0 H VAL A 21 0.179 9.450 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 21 0.282 12.476 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 21 1.290 10.383 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.498 12.274 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.738 12.530 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.734 13.395 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.540 11.058 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.764 12.160 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.531 10.402 -0.402 1.00 0.00 H new ATOM 342 N LYS A 22 -1.681 10.526 -2.250 1.00 0.00 N ATOM 343 CA LYS A 22 -2.954 10.487 -3.012 1.00 0.00 C ATOM 344 C LYS A 22 -3.673 9.178 -2.682 1.00 0.00 C ATOM 345 O LYS A 22 -3.076 8.109 -2.660 1.00 0.00 O ATOM 346 CB LYS A 22 -2.576 10.554 -4.484 1.00 0.00 C ATOM 347 CG LYS A 22 -3.815 10.265 -5.332 1.00 0.00 C ATOM 348 CD LYS A 22 -3.390 9.572 -6.626 1.00 0.00 C ATOM 349 CE LYS A 22 -4.437 9.828 -7.712 1.00 0.00 C ATOM 350 NZ LYS A 22 -4.330 8.661 -8.631 1.00 0.00 N ATOM 0 H LYS A 22 -1.326 9.612 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.622 11.311 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.177 11.539 -4.725 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.792 9.829 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.509 9.633 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.340 11.193 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.418 9.945 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.280 8.501 -6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.437 9.905 -7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.241 10.763 -8.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.267 8.442 -9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.674 8.888 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.973 7.837 -8.106 1.00 0.00 H new ATOM 364 N GLU A 23 -4.944 9.268 -2.404 1.00 0.00 N ATOM 365 CA GLU A 23 -5.737 8.058 -2.033 1.00 0.00 C ATOM 366 C GLU A 23 -5.556 6.932 -3.046 1.00 0.00 C ATOM 367 O GLU A 23 -5.153 7.145 -4.172 1.00 0.00 O ATOM 368 CB GLU A 23 -7.190 8.533 -2.015 1.00 0.00 C ATOM 369 CG GLU A 23 -7.891 7.982 -0.772 1.00 0.00 C ATOM 370 CD GLU A 23 -8.930 8.993 -0.281 1.00 0.00 C ATOM 371 OE1 GLU A 23 -10.041 8.962 -0.782 1.00 0.00 O ATOM 372 OE2 GLU A 23 -8.595 9.782 0.588 1.00 0.00 O ATOM 0 H GLU A 23 -5.475 10.139 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.417 7.651 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.228 9.622 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.705 8.197 -2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.373 7.033 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.161 7.785 0.013 1.00 0.00 H new ATOM 379 N ILE A 24 -5.859 5.730 -2.640 1.00 0.00 N ATOM 380 CA ILE A 24 -5.715 4.569 -3.558 1.00 0.00 C ATOM 381 C ILE A 24 -6.560 4.781 -4.817 1.00 0.00 C ATOM 382 O ILE A 24 -7.723 5.129 -4.752 1.00 0.00 O ATOM 383 CB ILE A 24 -6.215 3.353 -2.750 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.022 2.606 -2.151 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.989 2.385 -3.652 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.023 2.258 -3.263 1.00 0.00 C ATOM 0 H ILE A 24 -6.202 5.503 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.688 4.430 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.872 3.717 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.538 3.221 -1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.361 1.697 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.333 1.535 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.848 2.898 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.337 2.033 -4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.173 1.726 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.511 1.626 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.675 3.175 -3.739 1.00 0.00 H new ATOM 398 N ALA A 25 -5.986 4.535 -5.956 1.00 0.00 N ATOM 399 CA ALA A 25 -6.743 4.677 -7.223 1.00 0.00 C ATOM 400 C ALA A 25 -6.926 3.285 -7.824 1.00 0.00 C ATOM 401 O ALA A 25 -6.195 2.378 -7.507 1.00 0.00 O ATOM 402 CB ALA A 25 -5.860 5.544 -8.117 1.00 0.00 C ATOM 0 H ALA A 25 -5.016 4.239 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.729 5.124 -7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.352 5.696 -9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.694 6.509 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.903 5.047 -8.275 1.00 0.00 H new ATOM 408 N GLU A 26 -7.884 3.086 -8.673 1.00 0.00 N ATOM 409 CA GLU A 26 -8.051 1.721 -9.241 1.00 0.00 C ATOM 410 C GLU A 26 -7.679 1.715 -10.720 1.00 0.00 C ATOM 411 O GLU A 26 -8.085 2.572 -11.479 1.00 0.00 O ATOM 412 CB GLU A 26 -9.524 1.374 -9.040 1.00 0.00 C ATOM 413 CG GLU A 26 -10.390 2.565 -9.442 1.00 0.00 C ATOM 414 CD GLU A 26 -10.792 3.350 -8.192 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.649 2.871 -7.466 1.00 0.00 O ATOM 416 OE2 GLU A 26 -10.237 4.415 -7.981 1.00 0.00 O ATOM 0 H GLU A 26 -8.548 3.789 -8.996 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.403 0.991 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.787 0.502 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.708 1.113 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.843 3.210 -10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.279 2.220 -9.969 1.00 0.00 H new ATOM 423 N THR A 27 -6.893 0.759 -11.128 1.00 0.00 N ATOM 424 CA THR A 27 -6.475 0.701 -12.557 1.00 0.00 C ATOM 425 C THR A 27 -7.457 -0.158 -13.360 1.00 0.00 C ATOM 426 O THR A 27 -8.371 -0.745 -12.816 1.00 0.00 O ATOM 427 CB THR A 27 -5.078 0.067 -12.543 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.206 -1.348 -12.548 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.310 0.511 -11.291 1.00 0.00 C ATOM 0 H THR A 27 -6.522 0.016 -10.536 1.00 0.00 H new ATOM 0 HA THR A 27 -6.463 1.686 -13.025 1.00 0.00 H new ATOM 0 HB THR A 27 -4.528 0.390 -13.427 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.368 -1.753 -12.242 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.320 0.055 -11.291 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.210 1.596 -11.291 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.854 0.197 -10.400 1.00 0.00 H new ATOM 437 N GLN A 28 -7.278 -0.232 -14.651 1.00 0.00 N ATOM 438 CA GLN A 28 -8.205 -1.048 -15.488 1.00 0.00 C ATOM 439 C GLN A 28 -7.824 -2.530 -15.421 1.00 0.00 C ATOM 440 O GLN A 28 -8.601 -3.395 -15.772 1.00 0.00 O ATOM 441 CB GLN A 28 -8.028 -0.512 -16.910 1.00 0.00 C ATOM 442 CG GLN A 28 -8.159 1.012 -16.903 1.00 0.00 C ATOM 443 CD GLN A 28 -7.602 1.577 -18.212 1.00 0.00 C ATOM 444 OE1 GLN A 28 -6.675 2.363 -18.202 1.00 0.00 O ATOM 445 NE2 GLN A 28 -8.132 1.208 -19.345 1.00 0.00 N ATOM 0 H GLN A 28 -6.530 0.237 -15.163 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.238 -0.974 -15.148 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.052 -0.802 -17.300 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.777 -0.949 -17.570 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.205 1.297 -16.787 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.618 1.430 -16.054 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.910 0.548 -19.353 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.769 1.579 -20.223 1.00 0.00 H new ATOM 454 N HIS A 29 -6.636 -2.829 -14.975 1.00 0.00 N ATOM 455 CA HIS A 29 -6.210 -4.256 -14.889 1.00 0.00 C ATOM 456 C HIS A 29 -6.780 -4.905 -13.625 1.00 0.00 C ATOM 457 O HIS A 29 -6.529 -6.059 -13.341 1.00 0.00 O ATOM 458 CB HIS A 29 -4.683 -4.209 -14.825 1.00 0.00 C ATOM 459 CG HIS A 29 -4.114 -4.532 -16.180 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.639 -3.549 -17.034 1.00 0.00 N ATOM 461 CD2 HIS A 29 -3.937 -5.722 -16.840 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.203 -4.160 -18.151 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.362 -5.485 -18.085 1.00 0.00 N ATOM 0 H HIS A 29 -5.941 -2.149 -14.666 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.566 -4.844 -15.735 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.352 -3.221 -14.506 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.317 -4.922 -14.086 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.203 -6.694 -16.452 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.777 -3.642 -18.998 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.115 -6.175 -18.795 1.00 0.00 H new ATOM 471 N GLY A 30 -7.541 -4.171 -12.861 1.00 0.00 N ATOM 472 CA GLY A 30 -8.121 -4.744 -11.614 1.00 0.00 C ATOM 473 C GLY A 30 -7.189 -4.439 -10.441 1.00 0.00 C ATOM 474 O GLY A 30 -7.360 -4.944 -9.349 1.00 0.00 O ATOM 0 H GLY A 30 -7.786 -3.199 -13.047 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.108 -4.320 -11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.251 -5.821 -11.720 1.00 0.00 H new ATOM 478 N THR A 31 -6.202 -3.613 -10.660 1.00 0.00 N ATOM 479 CA THR A 31 -5.253 -3.272 -9.563 1.00 0.00 C ATOM 480 C THR A 31 -5.636 -1.939 -8.923 1.00 0.00 C ATOM 481 O THR A 31 -6.523 -1.245 -9.380 1.00 0.00 O ATOM 482 CB THR A 31 -3.886 -3.146 -10.237 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.047 -3.149 -11.650 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.004 -4.321 -9.823 1.00 0.00 C ATOM 0 H THR A 31 -6.012 -3.159 -11.553 1.00 0.00 H new ATOM 0 HA THR A 31 -5.259 -4.026 -8.776 1.00 0.00 H new ATOM 0 HB THR A 31 -3.417 -2.212 -9.929 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.207 -2.877 -12.076 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.030 -4.231 -10.303 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.877 -4.317 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.475 -5.255 -10.129 1.00 0.00 H new ATOM 492 N ILE A 32 -4.952 -1.569 -7.880 1.00 0.00 N ATOM 493 CA ILE A 32 -5.240 -0.270 -7.215 1.00 0.00 C ATOM 494 C ILE A 32 -3.925 0.482 -7.062 1.00 0.00 C ATOM 495 O ILE A 32 -2.890 -0.106 -6.834 1.00 0.00 O ATOM 496 CB ILE A 32 -5.852 -0.574 -5.835 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.160 -2.069 -5.675 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.152 0.216 -5.688 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.367 -2.385 -4.192 1.00 0.00 C ATOM 0 H ILE A 32 -4.201 -2.114 -7.456 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.935 0.338 -7.794 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.132 -0.288 -5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.053 -2.331 -6.243 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.341 -2.666 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.595 0.009 -4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.941 1.282 -5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.848 -0.079 -6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.586 -3.446 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.462 -2.137 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.201 -1.797 -3.808 1.00 0.00 H new ATOM 511 N VAL A 33 -3.950 1.765 -7.219 1.00 0.00 N ATOM 512 CA VAL A 33 -2.693 2.548 -7.128 1.00 0.00 C ATOM 513 C VAL A 33 -2.663 3.428 -5.881 1.00 0.00 C ATOM 514 O VAL A 33 -3.590 4.162 -5.600 1.00 0.00 O ATOM 515 CB VAL A 33 -2.716 3.405 -8.387 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.696 4.536 -8.262 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.380 2.531 -9.595 1.00 0.00 C ATOM 0 H VAL A 33 -4.790 2.312 -7.408 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.813 1.909 -7.054 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.708 3.838 -8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.717 5.146 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.944 5.156 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.699 4.114 -8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.395 3.139 -10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.388 2.097 -9.466 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.117 1.732 -9.683 1.00 0.00 H new ATOM 527 N ILE A 34 -1.587 3.377 -5.144 1.00 0.00 N ATOM 528 CA ILE A 34 -1.476 4.221 -3.936 1.00 0.00 C ATOM 529 C ILE A 34 -0.287 5.157 -4.083 1.00 0.00 C ATOM 530 O ILE A 34 0.832 4.727 -4.237 1.00 0.00 O ATOM 531 CB ILE A 34 -1.293 3.245 -2.771 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.100 3.776 -1.604 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.181 3.124 -2.360 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.411 5.013 -1.042 1.00 0.00 C ATOM 0 H ILE A 34 -0.780 2.782 -5.333 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.352 4.849 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.629 2.253 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.111 4.023 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.191 3.013 -0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.271 2.423 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.766 2.763 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.554 4.101 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.987 5.400 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.409 4.749 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.343 5.776 -1.818 1.00 0.00 H new ATOM 546 N ARG A 35 -0.517 6.428 -4.020 1.00 0.00 N ATOM 547 CA ARG A 35 0.611 7.378 -4.152 1.00 0.00 C ATOM 548 C ARG A 35 0.908 7.957 -2.777 1.00 0.00 C ATOM 549 O ARG A 35 0.119 8.686 -2.212 1.00 0.00 O ATOM 550 CB ARG A 35 0.123 8.433 -5.156 1.00 0.00 C ATOM 551 CG ARG A 35 0.548 9.842 -4.720 1.00 0.00 C ATOM 552 CD ARG A 35 0.536 10.776 -5.932 1.00 0.00 C ATOM 553 NE ARG A 35 1.968 10.936 -6.306 1.00 0.00 N ATOM 554 CZ ARG A 35 2.340 11.930 -7.067 1.00 0.00 C ATOM 555 NH1 ARG A 35 1.459 12.789 -7.506 1.00 0.00 N ATOM 556 NH2 ARG A 35 3.597 12.066 -7.391 1.00 0.00 N ATOM 0 H ARG A 35 -1.434 6.852 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 35 1.539 6.931 -4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.529 8.216 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.963 8.386 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.129 10.216 -3.952 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.545 9.813 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.042 10.351 -6.753 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.082 11.736 -5.687 1.00 0.00 H new ATOM 0 HE ARG A 35 2.660 10.268 -5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.476 12.685 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.754 13.564 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.287 11.397 -7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.889 12.842 -7.985 1.00 0.00 H new ATOM 570 N VAL A 36 2.030 7.616 -2.228 1.00 0.00 N ATOM 571 CA VAL A 36 2.373 8.118 -0.892 1.00 0.00 C ATOM 572 C VAL A 36 3.770 8.662 -0.914 1.00 0.00 C ATOM 573 O VAL A 36 4.357 8.852 -1.953 1.00 0.00 O ATOM 574 CB VAL A 36 2.261 6.912 0.046 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.066 6.052 -0.361 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.537 6.065 -0.030 1.00 0.00 C ATOM 0 H VAL A 36 2.726 7.006 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 36 1.716 8.923 -0.564 1.00 0.00 H new ATOM 0 HB VAL A 36 2.126 7.272 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.990 5.195 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.153 6.644 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.201 5.702 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.447 5.210 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.679 5.712 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.394 6.670 0.267 1.00 0.00 H new ATOM 586 N GLN A 37 4.298 8.916 0.221 1.00 0.00 N ATOM 587 CA GLN A 37 5.657 9.457 0.293 1.00 0.00 C ATOM 588 C GLN A 37 6.401 8.706 1.384 1.00 0.00 C ATOM 589 O GLN A 37 5.910 8.551 2.484 1.00 0.00 O ATOM 590 CB GLN A 37 5.429 10.915 0.657 1.00 0.00 C ATOM 591 CG GLN A 37 6.772 11.624 0.844 1.00 0.00 C ATOM 592 CD GLN A 37 6.560 12.918 1.630 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.579 13.994 1.068 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.358 12.859 2.918 1.00 0.00 N ATOM 0 H GLN A 37 3.841 8.771 1.121 1.00 0.00 H new ATOM 0 HA GLN A 37 6.247 9.361 -0.618 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.854 11.408 -0.127 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.842 10.982 1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.468 10.974 1.374 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.217 11.844 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.342 11.955 3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.216 13.717 3.452 1.00 0.00 H new ATOM 603 N TYR A 38 7.559 8.205 1.093 1.00 0.00 N ATOM 604 CA TYR A 38 8.281 7.432 2.137 1.00 0.00 C ATOM 605 C TYR A 38 8.553 8.312 3.358 1.00 0.00 C ATOM 606 O TYR A 38 9.180 9.346 3.269 1.00 0.00 O ATOM 607 CB TYR A 38 9.590 6.988 1.487 1.00 0.00 C ATOM 608 CG TYR A 38 10.405 6.179 2.472 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.800 5.632 3.612 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.771 5.980 2.244 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.561 4.888 4.521 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.533 5.237 3.154 1.00 0.00 C ATOM 613 CZ TYR A 38 11.928 4.690 4.292 1.00 0.00 C ATOM 614 OH TYR A 38 12.680 3.957 5.187 1.00 0.00 O ATOM 0 H TYR A 38 8.034 8.292 0.195 1.00 0.00 H new ATOM 0 HA TYR A 38 7.699 6.579 2.486 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.381 6.392 0.598 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.158 7.859 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.746 5.785 3.789 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.238 6.400 1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.094 4.467 5.399 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.588 5.086 2.978 1.00 0.00 H new ATOM 0 HH TYR A 38 13.553 3.753 4.791 1.00 0.00 H new ATOM 624 N GLU A 39 8.082 7.900 4.498 1.00 0.00 N ATOM 625 CA GLU A 39 8.307 8.693 5.738 1.00 0.00 C ATOM 626 C GLU A 39 9.239 7.916 6.661 1.00 0.00 C ATOM 627 O GLU A 39 9.062 7.882 7.863 1.00 0.00 O ATOM 628 CB GLU A 39 6.926 8.845 6.374 1.00 0.00 C ATOM 629 CG GLU A 39 6.258 10.117 5.848 1.00 0.00 C ATOM 630 CD GLU A 39 5.402 10.738 6.954 1.00 0.00 C ATOM 631 OE1 GLU A 39 4.331 10.212 7.212 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.830 11.728 7.523 1.00 0.00 O ATOM 0 H GLU A 39 7.546 7.042 4.627 1.00 0.00 H new ATOM 0 HA GLU A 39 8.764 9.663 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.310 7.976 6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.017 8.892 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.015 10.828 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.639 9.884 4.982 1.00 0.00 H new ATOM 639 N GLY A 40 10.224 7.277 6.099 1.00 0.00 N ATOM 640 CA GLY A 40 11.167 6.481 6.924 1.00 0.00 C ATOM 641 C GLY A 40 12.600 6.798 6.517 1.00 0.00 C ATOM 642 O GLY A 40 12.877 7.811 5.906 1.00 0.00 O ATOM 0 H GLY A 40 10.416 7.273 5.097 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.021 6.707 7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.969 5.417 6.795 1.00 0.00 H new ATOM 646 N ASP A 41 13.513 5.933 6.850 1.00 0.00 N ATOM 647 CA ASP A 41 14.935 6.177 6.481 1.00 0.00 C ATOM 648 C ASP A 41 15.467 5.023 5.630 1.00 0.00 C ATOM 649 O ASP A 41 15.150 3.873 5.862 1.00 0.00 O ATOM 650 CB ASP A 41 15.684 6.254 7.812 1.00 0.00 C ATOM 651 CG ASP A 41 16.410 7.597 7.915 1.00 0.00 C ATOM 652 OD1 ASP A 41 15.789 8.551 8.353 1.00 0.00 O ATOM 653 OD2 ASP A 41 17.574 7.648 7.553 1.00 0.00 O ATOM 0 H ASP A 41 13.338 5.068 7.361 1.00 0.00 H new ATOM 0 HA ASP A 41 15.058 7.086 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.985 6.142 8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.400 5.435 7.886 1.00 0.00 H new ATOM 658 N GLY A 42 16.277 5.315 4.646 1.00 0.00 N ATOM 659 CA GLY A 42 16.823 4.218 3.796 1.00 0.00 C ATOM 660 C GLY A 42 17.203 4.742 2.406 1.00 0.00 C ATOM 661 O GLY A 42 17.848 4.053 1.641 1.00 0.00 O ATOM 0 H GLY A 42 16.581 6.256 4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.699 3.781 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.083 3.424 3.700 1.00 0.00 H new ATOM 665 N SER A 43 16.816 5.943 2.055 1.00 0.00 N ATOM 666 CA SER A 43 17.182 6.452 0.704 1.00 0.00 C ATOM 667 C SER A 43 16.686 5.436 -0.341 1.00 0.00 C ATOM 668 O SER A 43 15.740 4.728 -0.067 1.00 0.00 O ATOM 669 CB SER A 43 18.702 6.539 0.765 1.00 0.00 C ATOM 670 OG SER A 43 19.153 7.619 -0.041 1.00 0.00 O ATOM 0 H SER A 43 16.272 6.581 2.636 1.00 0.00 H new ATOM 0 HA SER A 43 16.745 7.413 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 43 19.027 6.682 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.144 5.605 0.418 1.00 0.00 H new ATOM 0 HG SER A 43 20.131 7.673 0.002 1.00 0.00 H new ATOM 676 N PRO A 44 17.315 5.363 -1.501 1.00 0.00 N ATOM 677 CA PRO A 44 16.865 4.382 -2.513 1.00 0.00 C ATOM 678 C PRO A 44 16.543 3.062 -1.814 1.00 0.00 C ATOM 679 O PRO A 44 17.413 2.276 -1.501 1.00 0.00 O ATOM 680 CB PRO A 44 18.058 4.266 -3.450 1.00 0.00 C ATOM 681 CG PRO A 44 18.722 5.602 -3.368 1.00 0.00 C ATOM 682 CD PRO A 44 18.458 6.144 -1.982 1.00 0.00 C ATOM 0 HA PRO A 44 15.962 4.667 -3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.732 3.467 -3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.743 4.040 -4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.793 5.512 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.326 6.276 -4.127 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.326 6.020 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.229 7.209 -2.008 1.00 0.00 H new ATOM 690 N CYS A 45 15.291 2.848 -1.530 1.00 0.00 N ATOM 691 CA CYS A 45 14.883 1.614 -0.802 1.00 0.00 C ATOM 692 C CYS A 45 13.504 1.148 -1.292 1.00 0.00 C ATOM 693 O CYS A 45 12.842 1.834 -2.038 1.00 0.00 O ATOM 694 CB CYS A 45 14.866 2.060 0.672 1.00 0.00 C ATOM 695 SG CYS A 45 13.578 1.200 1.608 1.00 0.00 S ATOM 0 H CYS A 45 14.526 3.478 -1.772 1.00 0.00 H new ATOM 0 HA CYS A 45 15.546 0.763 -0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.838 1.864 1.124 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.700 3.136 0.726 1.00 0.00 H new ATOM 700 N LYS A 46 13.082 -0.022 -0.887 1.00 0.00 N ATOM 701 CA LYS A 46 11.759 -0.549 -1.348 1.00 0.00 C ATOM 702 C LYS A 46 10.615 -0.077 -0.442 1.00 0.00 C ATOM 703 O LYS A 46 10.825 0.607 0.535 1.00 0.00 O ATOM 704 CB LYS A 46 11.912 -2.067 -1.270 1.00 0.00 C ATOM 705 CG LYS A 46 12.375 -2.615 -2.621 1.00 0.00 C ATOM 706 CD LYS A 46 12.153 -4.128 -2.661 1.00 0.00 C ATOM 707 CE LYS A 46 12.737 -4.696 -3.957 1.00 0.00 C ATOM 708 NZ LYS A 46 11.809 -4.237 -5.029 1.00 0.00 N ATOM 0 H LYS A 46 13.596 -0.637 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 46 11.508 -0.197 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.633 -2.329 -0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.963 -2.523 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.823 -2.134 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.430 -2.387 -2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.627 -4.599 -1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.088 -4.352 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.750 -4.330 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.793 -5.784 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.469 -5.058 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.999 -3.746 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.310 -3.586 -5.667 1.00 0.00 H new ATOM 722 N ILE A 47 9.395 -0.411 -0.791 1.00 0.00 N ATOM 723 CA ILE A 47 8.226 0.048 0.017 1.00 0.00 C ATOM 724 C ILE A 47 7.373 -1.123 0.531 1.00 0.00 C ATOM 725 O ILE A 47 6.965 -1.975 -0.230 1.00 0.00 O ATOM 726 CB ILE A 47 7.423 0.879 -0.970 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.361 1.876 -1.643 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.315 1.629 -0.228 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.769 2.931 -0.623 1.00 0.00 C ATOM 0 H ILE A 47 9.161 -0.983 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 47 8.539 0.592 0.908 1.00 0.00 H new ATOM 0 HB ILE A 47 6.969 0.232 -1.721 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.242 1.364 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.866 2.345 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.740 2.224 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.656 0.913 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.758 2.285 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.440 3.650 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.881 3.447 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.278 2.451 0.213 1.00 0.00 H new ATOM 741 N PRO A 48 7.115 -1.103 1.815 1.00 0.00 N ATOM 742 CA PRO A 48 6.277 -2.153 2.462 1.00 0.00 C ATOM 743 C PRO A 48 4.819 -2.070 1.990 1.00 0.00 C ATOM 744 O PRO A 48 4.300 -1.004 1.726 1.00 0.00 O ATOM 745 CB PRO A 48 6.350 -1.802 3.948 1.00 0.00 C ATOM 746 CG PRO A 48 7.528 -0.896 4.075 1.00 0.00 C ATOM 747 CD PRO A 48 7.579 -0.121 2.794 1.00 0.00 C ATOM 0 HA PRO A 48 6.624 -3.159 2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.436 -1.310 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.473 -2.696 4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.420 -0.231 4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.446 -1.465 4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.935 0.758 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.587 0.230 2.571 1.00 0.00 H new ATOM 755 N PHE A 49 4.158 -3.191 1.893 1.00 0.00 N ATOM 756 CA PHE A 49 2.739 -3.202 1.452 1.00 0.00 C ATOM 757 C PHE A 49 2.041 -4.458 1.985 1.00 0.00 C ATOM 758 O PHE A 49 2.679 -5.461 2.240 1.00 0.00 O ATOM 759 CB PHE A 49 2.834 -3.257 -0.059 1.00 0.00 C ATOM 760 CG PHE A 49 1.581 -2.673 -0.671 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.417 -1.284 -0.737 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.580 -3.518 -1.167 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.256 -0.740 -1.301 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.581 -2.973 -1.730 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.743 -1.586 -1.796 1.00 0.00 C ATOM 0 H PHE A 49 4.548 -4.110 2.104 1.00 0.00 H new ATOM 0 HA PHE A 49 2.170 -2.343 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.709 -2.702 -0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.964 -4.288 -0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.187 -0.631 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.703 -4.590 -1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.132 0.332 -1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.352 -3.625 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.639 -1.167 -2.229 1.00 0.00 H new ATOM 775 N GLU A 50 0.745 -4.427 2.154 1.00 0.00 N ATOM 776 CA GLU A 50 0.052 -5.645 2.665 1.00 0.00 C ATOM 777 C GLU A 50 -1.458 -5.549 2.424 1.00 0.00 C ATOM 778 O GLU A 50 -2.105 -4.602 2.826 1.00 0.00 O ATOM 779 CB GLU A 50 0.368 -5.683 4.162 1.00 0.00 C ATOM 780 CG GLU A 50 -0.620 -6.611 4.875 1.00 0.00 C ATOM 781 CD GLU A 50 0.152 -7.643 5.700 1.00 0.00 C ATOM 782 OE1 GLU A 50 0.979 -8.333 5.125 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.095 -7.725 6.892 1.00 0.00 O ATOM 0 H GLU A 50 0.145 -3.625 1.964 1.00 0.00 H new ATOM 0 HA GLU A 50 0.385 -6.551 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.388 -6.033 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.307 -4.679 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.278 -6.031 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.254 -7.114 4.145 1.00 0.00 H new ATOM 790 N ILE A 51 -2.019 -6.530 1.770 1.00 0.00 N ATOM 791 CA ILE A 51 -3.486 -6.511 1.501 1.00 0.00 C ATOM 792 C ILE A 51 -4.133 -7.784 2.056 1.00 0.00 C ATOM 793 O ILE A 51 -3.753 -8.884 1.709 1.00 0.00 O ATOM 794 CB ILE A 51 -3.620 -6.467 -0.024 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.597 -5.489 -0.607 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.028 -6.002 -0.394 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.614 -5.586 -2.134 1.00 0.00 C ATOM 0 H ILE A 51 -1.524 -7.346 1.410 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.980 -5.662 1.973 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.440 -7.462 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.831 -4.471 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.601 -5.718 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.127 -5.969 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.760 -6.697 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.202 -5.007 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.886 -4.890 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.360 -6.602 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.608 -5.335 -2.503 1.00 0.00 H new ATOM 970 N GLY A 61 -3.680 -11.033 -2.217 1.00 0.00 N ATOM 971 CA GLY A 61 -3.683 -9.952 -3.244 1.00 0.00 C ATOM 972 C GLY A 61 -2.341 -9.940 -3.979 1.00 0.00 C ATOM 973 O GLY A 61 -1.419 -10.642 -3.616 1.00 0.00 O ATOM 0 HA2 GLY A 61 -4.496 -10.112 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.858 -8.986 -2.770 1.00 0.00 H new ATOM 977 N ARG A 62 -2.223 -9.149 -5.014 1.00 0.00 N ATOM 978 CA ARG A 62 -0.937 -9.102 -5.767 1.00 0.00 C ATOM 979 C ARG A 62 -0.392 -7.679 -5.801 1.00 0.00 C ATOM 980 O ARG A 62 -1.086 -6.727 -5.505 1.00 0.00 O ATOM 981 CB ARG A 62 -1.284 -9.557 -7.182 1.00 0.00 C ATOM 982 CG ARG A 62 -0.343 -10.688 -7.596 1.00 0.00 C ATOM 983 CD ARG A 62 0.623 -10.182 -8.670 1.00 0.00 C ATOM 984 NE ARG A 62 0.477 -11.140 -9.801 1.00 0.00 N ATOM 985 CZ ARG A 62 1.102 -10.924 -10.928 1.00 0.00 C ATOM 986 NH1 ARG A 62 1.857 -9.867 -11.069 1.00 0.00 N ATOM 987 NH2 ARG A 62 0.970 -11.766 -11.916 1.00 0.00 N ATOM 0 H ARG A 62 -2.958 -8.537 -5.368 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.175 -9.730 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.319 -9.897 -7.223 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.195 -8.722 -7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.214 -11.047 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.918 -11.532 -7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.374 -9.167 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.648 -10.161 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.112 -11.966 -9.696 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.960 -9.207 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.343 -9.702 -11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.380 -12.591 -11.808 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.457 -11.599 -12.797 1.00 0.00 H new ATOM 1001 N LEU A 63 0.845 -7.529 -6.173 1.00 0.00 N ATOM 1002 CA LEU A 63 1.433 -6.172 -6.244 1.00 0.00 C ATOM 1003 C LEU A 63 2.153 -5.992 -7.579 1.00 0.00 C ATOM 1004 O LEU A 63 3.176 -6.598 -7.832 1.00 0.00 O ATOM 1005 CB LEU A 63 2.421 -6.098 -5.082 1.00 0.00 C ATOM 1006 CG LEU A 63 2.366 -4.705 -4.460 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.525 -3.660 -5.561 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.019 -4.510 -3.762 1.00 0.00 C ATOM 0 H LEU A 63 1.473 -8.290 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 63 0.679 -5.388 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.177 -6.853 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.430 -6.312 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 63 3.169 -4.596 -3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.487 -2.662 -5.124 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.484 -3.801 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.718 -3.770 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.980 -3.515 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.214 -4.615 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.902 -5.261 -2.981 1.00 0.00 H new ATOM 1020 N ILE A 64 1.631 -5.160 -8.432 1.00 0.00 N ATOM 1021 CA ILE A 64 2.291 -4.935 -9.748 1.00 0.00 C ATOM 1022 C ILE A 64 3.598 -4.194 -9.514 1.00 0.00 C ATOM 1023 O ILE A 64 4.562 -4.343 -10.235 1.00 0.00 O ATOM 1024 CB ILE A 64 1.312 -4.064 -10.532 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.105 -4.648 -10.434 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.740 -4.001 -11.997 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.054 -6.177 -10.511 1.00 0.00 C ATOM 0 H ILE A 64 0.776 -4.625 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 64 2.520 -5.858 -10.281 1.00 0.00 H new ATOM 0 HB ILE A 64 1.314 -3.059 -10.110 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.569 -4.339 -9.498 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.724 -4.256 -11.241 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.040 -3.379 -12.554 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.740 -3.573 -12.066 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.746 -5.006 -12.418 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.065 -6.579 -10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.391 -6.479 -11.459 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.548 -6.563 -9.688 1.00 0.00 H new ATOM 1039 N THR A 65 3.618 -3.402 -8.488 1.00 0.00 N ATOM 1040 CA THR A 65 4.836 -2.630 -8.146 1.00 0.00 C ATOM 1041 C THR A 65 5.499 -3.290 -6.928 1.00 0.00 C ATOM 1042 O THR A 65 6.153 -2.656 -6.127 1.00 0.00 O ATOM 1043 CB THR A 65 4.282 -1.216 -7.876 1.00 0.00 C ATOM 1044 OG1 THR A 65 4.688 -0.349 -8.924 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.769 -0.653 -6.544 1.00 0.00 C ATOM 0 H THR A 65 2.828 -3.254 -7.860 1.00 0.00 H new ATOM 0 HA THR A 65 5.613 -2.595 -8.910 1.00 0.00 H new ATOM 0 HB THR A 65 3.195 -1.287 -7.830 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.337 0.551 -8.758 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.354 0.344 -6.397 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.444 -1.305 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.857 -0.595 -6.550 1.00 0.00 H new ATOM 1053 N VAL A 66 5.318 -4.584 -6.823 1.00 0.00 N ATOM 1054 CA VAL A 66 5.894 -5.391 -5.693 1.00 0.00 C ATOM 1055 C VAL A 66 6.932 -4.610 -4.897 1.00 0.00 C ATOM 1056 O VAL A 66 8.015 -4.328 -5.371 1.00 0.00 O ATOM 1057 CB VAL A 66 6.549 -6.596 -6.360 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.417 -7.335 -5.338 1.00 0.00 C ATOM 1059 CG2 VAL A 66 5.466 -7.538 -6.888 1.00 0.00 C ATOM 0 H VAL A 66 4.779 -5.133 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 66 5.117 -5.668 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 66 7.172 -6.259 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.886 -8.196 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.189 -6.663 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.795 -7.672 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.934 -8.399 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.842 -7.876 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.849 -7.011 -7.616 1.00 0.00 H new ATOM 1069 N ASN A 67 6.611 -4.267 -3.686 1.00 0.00 N ATOM 1070 CA ASN A 67 7.579 -3.515 -2.854 1.00 0.00 C ATOM 1071 C ASN A 67 8.225 -2.398 -3.680 1.00 0.00 C ATOM 1072 O ASN A 67 9.398 -2.455 -3.992 1.00 0.00 O ATOM 1073 CB ASN A 67 8.615 -4.560 -2.440 1.00 0.00 C ATOM 1074 CG ASN A 67 9.297 -4.122 -1.144 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.982 -3.082 -0.599 1.00 0.00 O ATOM 1076 ND2 ASN A 67 10.227 -4.874 -0.624 1.00 0.00 N ATOM 0 H ASN A 67 5.719 -4.475 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 67 7.116 -3.035 -1.992 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.134 -5.528 -2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.357 -4.684 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.690 -4.589 0.239 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.492 -5.747 -1.081 1.00 0.00 H new ATOM 1083 N PRO A 68 7.428 -1.415 -4.007 1.00 0.00 N ATOM 1084 CA PRO A 68 7.925 -0.274 -4.806 1.00 0.00 C ATOM 1085 C PRO A 68 9.207 0.266 -4.179 1.00 0.00 C ATOM 1086 O PRO A 68 9.686 -0.268 -3.201 1.00 0.00 O ATOM 1087 CB PRO A 68 6.801 0.763 -4.747 1.00 0.00 C ATOM 1088 CG PRO A 68 5.712 0.175 -3.893 1.00 0.00 C ATOM 1089 CD PRO A 68 6.016 -1.283 -3.664 1.00 0.00 C ATOM 0 HA PRO A 68 8.164 -0.544 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.161 1.700 -4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.429 0.988 -5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.651 0.703 -2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.745 0.288 -4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.829 -1.570 -2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.393 -1.922 -4.290 1.00 0.00 H new ATOM 1097 N ILE A 69 9.779 1.301 -4.736 1.00 0.00 N ATOM 1098 CA ILE A 69 11.046 1.831 -4.156 1.00 0.00 C ATOM 1099 C ILE A 69 11.092 3.361 -4.174 1.00 0.00 C ATOM 1100 O ILE A 69 10.650 3.999 -5.109 1.00 0.00 O ATOM 1101 CB ILE A 69 12.149 1.281 -5.061 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.188 -0.257 -4.936 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.496 1.913 -4.670 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.533 -0.745 -4.378 1.00 0.00 C ATOM 0 H ILE A 69 9.429 1.796 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 69 11.149 1.532 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 69 11.947 1.535 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.381 -0.590 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.014 -0.707 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.283 1.521 -5.315 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.437 2.995 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.724 1.671 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.523 -1.832 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.338 -0.434 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.694 -0.316 -3.389 1.00 0.00 H new ATOM 1116 N VAL A 70 11.671 3.945 -3.160 1.00 0.00 N ATOM 1117 CA VAL A 70 11.808 5.431 -3.123 1.00 0.00 C ATOM 1118 C VAL A 70 13.229 5.787 -3.557 1.00 0.00 C ATOM 1119 O VAL A 70 14.067 4.919 -3.691 1.00 0.00 O ATOM 1120 CB VAL A 70 11.571 5.835 -1.666 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.473 7.358 -1.555 1.00 0.00 C ATOM 1122 CG2 VAL A 70 10.264 5.215 -1.184 1.00 0.00 C ATOM 0 H VAL A 70 12.057 3.456 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 70 11.107 5.942 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 70 12.402 5.483 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.304 7.637 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.401 7.809 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.643 7.715 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.088 5.498 -0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.441 5.574 -1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.327 4.129 -1.258 1.00 0.00 H new ATOM 1132 N THR A 71 13.517 7.037 -3.783 1.00 0.00 N ATOM 1133 CA THR A 71 14.898 7.399 -4.216 1.00 0.00 C ATOM 1134 C THR A 71 15.494 8.482 -3.314 1.00 0.00 C ATOM 1135 O THR A 71 16.689 8.697 -3.304 1.00 0.00 O ATOM 1136 CB THR A 71 14.746 7.918 -5.643 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.860 7.072 -6.362 1.00 0.00 O ATOM 1138 CG2 THR A 71 16.115 7.927 -6.325 1.00 0.00 C ATOM 0 H THR A 71 12.866 7.817 -3.689 1.00 0.00 H new ATOM 0 HA THR A 71 15.573 6.545 -4.157 1.00 0.00 H new ATOM 0 HB THR A 71 14.342 8.930 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.760 7.406 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.011 8.297 -7.345 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.793 8.576 -5.771 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.518 6.914 -6.346 1.00 0.00 H new ATOM 1146 N GLU A 72 14.682 9.173 -2.563 1.00 0.00 N ATOM 1147 CA GLU A 72 15.237 10.239 -1.682 1.00 0.00 C ATOM 1148 C GLU A 72 14.536 10.244 -0.323 1.00 0.00 C ATOM 1149 O GLU A 72 14.628 11.195 0.427 1.00 0.00 O ATOM 1150 CB GLU A 72 14.967 11.546 -2.426 1.00 0.00 C ATOM 1151 CG GLU A 72 15.609 11.486 -3.813 1.00 0.00 C ATOM 1152 CD GLU A 72 16.136 12.872 -4.191 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.327 13.774 -4.327 1.00 0.00 O ATOM 1154 OE2 GLU A 72 17.340 13.007 -4.336 1.00 0.00 O ATOM 0 H GLU A 72 13.671 9.049 -2.520 1.00 0.00 H new ATOM 0 HA GLU A 72 16.298 10.088 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.893 11.710 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.371 12.387 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.424 10.762 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.879 11.149 -4.549 1.00 0.00 H new ATOM 1161 N LYS A 73 13.831 9.192 -0.002 1.00 0.00 N ATOM 1162 CA LYS A 73 13.115 9.129 1.310 1.00 0.00 C ATOM 1163 C LYS A 73 11.885 10.041 1.302 1.00 0.00 C ATOM 1164 O LYS A 73 11.100 10.035 2.225 1.00 0.00 O ATOM 1165 CB LYS A 73 14.130 9.601 2.355 1.00 0.00 C ATOM 1166 CG LYS A 73 13.852 8.908 3.690 1.00 0.00 C ATOM 1167 CD LYS A 73 14.878 9.368 4.727 1.00 0.00 C ATOM 1168 CE LYS A 73 14.837 10.894 4.844 1.00 0.00 C ATOM 1169 NZ LYS A 73 13.411 11.219 5.126 1.00 0.00 N ATOM 0 H LYS A 73 13.719 8.369 -0.594 1.00 0.00 H new ATOM 0 HA LYS A 73 12.755 8.122 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.143 9.376 2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.067 10.683 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.844 9.143 4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.903 7.826 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.663 8.913 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.876 9.042 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.488 11.246 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.176 11.370 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.359 12.087 5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.904 11.364 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.973 10.434 5.649 1.00 0.00 H new ATOM 1183 N ASP A 74 11.708 10.823 0.275 1.00 0.00 N ATOM 1184 CA ASP A 74 10.525 11.720 0.225 1.00 0.00 C ATOM 1185 C ASP A 74 9.917 11.710 -1.178 1.00 0.00 C ATOM 1186 O ASP A 74 8.944 12.387 -1.447 1.00 0.00 O ATOM 1187 CB ASP A 74 11.077 13.100 0.564 1.00 0.00 C ATOM 1188 CG ASP A 74 9.950 13.989 1.094 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.739 13.988 2.295 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.319 14.655 0.290 1.00 0.00 O ATOM 0 H ASP A 74 12.331 10.879 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 74 9.735 11.414 0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.867 13.013 1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.524 13.552 -0.322 1.00 0.00 H new ATOM 1195 N SER A 75 10.470 10.938 -2.073 1.00 0.00 N ATOM 1196 CA SER A 75 9.910 10.880 -3.448 1.00 0.00 C ATOM 1197 C SER A 75 8.592 10.108 -3.414 1.00 0.00 C ATOM 1198 O SER A 75 8.585 8.908 -3.223 1.00 0.00 O ATOM 1199 CB SER A 75 10.956 10.130 -4.272 1.00 0.00 C ATOM 1200 OG SER A 75 10.636 10.241 -5.652 1.00 0.00 O ATOM 0 H SER A 75 11.285 10.346 -1.909 1.00 0.00 H new ATOM 0 HA SER A 75 9.706 11.865 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.948 10.541 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.984 9.081 -3.977 1.00 0.00 H new ATOM 0 HG SER A 75 11.306 9.762 -6.183 1.00 0.00 H new ATOM 1206 N PRO A 76 7.513 10.823 -3.580 1.00 0.00 N ATOM 1207 CA PRO A 76 6.181 10.187 -3.543 1.00 0.00 C ATOM 1208 C PRO A 76 6.174 8.930 -4.419 1.00 0.00 C ATOM 1209 O PRO A 76 6.598 8.956 -5.557 1.00 0.00 O ATOM 1210 CB PRO A 76 5.230 11.253 -4.099 1.00 0.00 C ATOM 1211 CG PRO A 76 6.081 12.435 -4.470 1.00 0.00 C ATOM 1212 CD PRO A 76 7.428 12.261 -3.821 1.00 0.00 C ATOM 0 HA PRO A 76 5.892 9.868 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.690 10.876 -4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.483 11.531 -3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.186 12.504 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.614 13.361 -4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.233 12.607 -4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.501 12.828 -2.893 1.00 0.00 H new ATOM 1220 N VAL A 77 5.707 7.825 -3.899 1.00 0.00 N ATOM 1221 CA VAL A 77 5.694 6.572 -4.714 1.00 0.00 C ATOM 1222 C VAL A 77 4.265 6.058 -4.928 1.00 0.00 C ATOM 1223 O VAL A 77 3.414 6.176 -4.068 1.00 0.00 O ATOM 1224 CB VAL A 77 6.507 5.570 -3.911 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.572 4.257 -4.684 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.920 6.115 -3.723 1.00 0.00 C ATOM 0 H VAL A 77 5.337 7.735 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 77 6.107 6.738 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 77 6.044 5.404 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.153 3.530 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.563 3.875 -4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.046 4.427 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.511 5.403 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.384 6.268 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.876 7.064 -3.189 1.00 0.00 H new ATOM 1236 N ASN A 78 4.005 5.481 -6.072 1.00 0.00 N ATOM 1237 CA ASN A 78 2.642 4.944 -6.362 1.00 0.00 C ATOM 1238 C ASN A 78 2.665 3.412 -6.276 1.00 0.00 C ATOM 1239 O ASN A 78 3.560 2.785 -6.807 1.00 0.00 O ATOM 1240 CB ASN A 78 2.353 5.376 -7.798 1.00 0.00 C ATOM 1241 CG ASN A 78 2.765 6.838 -7.990 1.00 0.00 C ATOM 1242 OD1 ASN A 78 3.936 7.143 -8.102 1.00 0.00 O ATOM 1243 ND2 ASN A 78 1.843 7.762 -8.033 1.00 0.00 N ATOM 0 H ASN A 78 4.684 5.358 -6.824 1.00 0.00 H new ATOM 0 HA ASN A 78 1.891 5.306 -5.660 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.898 4.740 -8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.292 5.255 -8.018 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.106 8.739 -8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.860 7.506 -7.939 1.00 0.00 H new ATOM 1250 N ILE A 79 1.711 2.776 -5.629 1.00 0.00 N ATOM 1251 CA ILE A 79 1.781 1.286 -5.582 1.00 0.00 C ATOM 1252 C ILE A 79 0.571 0.650 -6.266 1.00 0.00 C ATOM 1253 O ILE A 79 -0.562 0.846 -5.877 1.00 0.00 O ATOM 1254 CB ILE A 79 1.832 0.914 -4.105 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.948 1.723 -3.420 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.124 -0.585 -3.995 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.390 1.028 -2.128 1.00 0.00 C ATOM 0 H ILE A 79 0.920 3.207 -5.151 1.00 0.00 H new ATOM 0 HA ILE A 79 2.657 0.918 -6.116 1.00 0.00 H new ATOM 0 HB ILE A 79 0.883 1.139 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.798 1.827 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.593 2.729 -3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.165 -0.872 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.335 -1.147 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.081 -0.805 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.180 1.610 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.541 0.947 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.764 0.031 -2.361 1.00 0.00 H new ATOM 1269 N GLU A 80 0.827 -0.124 -7.284 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.268 -0.804 -8.025 1.00 0.00 C ATOM 1271 C GLU A 80 -0.453 -2.224 -7.483 1.00 0.00 C ATOM 1272 O GLU A 80 0.359 -3.095 -7.721 1.00 0.00 O ATOM 1273 CB GLU A 80 0.217 -0.841 -9.476 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.757 -1.663 -10.319 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.578 -0.733 -11.212 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.273 0.448 -11.244 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.497 -1.217 -11.851 1.00 0.00 O ATOM 0 H GLU A 80 1.764 -0.316 -7.638 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.227 -0.296 -7.927 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.291 0.172 -9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.215 -1.277 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.209 -2.379 -10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.418 -2.238 -9.671 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.506 -2.466 -6.750 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.717 -3.835 -6.192 1.00 0.00 C ATOM 1286 C ALA A 81 -2.930 -4.502 -6.843 1.00 0.00 C ATOM 1287 O ALA A 81 -3.888 -3.853 -7.213 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.944 -3.627 -4.692 1.00 0.00 C ATOM 0 H ALA A 81 -2.225 -1.782 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.867 -4.490 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.107 -4.592 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.069 -3.147 -4.255 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.818 -2.994 -4.541 1.00 0.00 H new ATOM 1294 N GLU A 82 -2.887 -5.801 -6.994 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.028 -6.519 -7.630 1.00 0.00 C ATOM 1296 C GLU A 82 -4.734 -7.427 -6.620 1.00 0.00 C ATOM 1297 O GLU A 82 -4.903 -8.606 -6.861 1.00 0.00 O ATOM 1298 CB GLU A 82 -3.387 -7.359 -8.732 1.00 0.00 C ATOM 1299 CG GLU A 82 -4.462 -7.822 -9.716 1.00 0.00 C ATOM 1300 CD GLU A 82 -4.123 -9.227 -10.219 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -3.227 -9.341 -11.039 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -4.764 -10.165 -9.775 1.00 0.00 O ATOM 0 H GLU A 82 -2.110 -6.394 -6.704 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.782 -5.830 -8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.629 -6.775 -9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.881 -8.222 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.438 -7.824 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.525 -7.129 -10.555 1.00 0.00 H new ATOM 1309 N PRO A 83 -5.130 -6.850 -5.520 1.00 0.00 N ATOM 1310 CA PRO A 83 -5.831 -7.627 -4.469 1.00 0.00 C ATOM 1311 C PRO A 83 -7.191 -8.104 -4.977 1.00 0.00 C ATOM 1312 O PRO A 83 -7.731 -7.558 -5.918 1.00 0.00 O ATOM 1313 CB PRO A 83 -6.003 -6.631 -3.325 1.00 0.00 C ATOM 1314 CG PRO A 83 -5.856 -5.281 -3.948 1.00 0.00 C ATOM 1315 CD PRO A 83 -4.966 -5.442 -5.150 1.00 0.00 C ATOM 0 HA PRO A 83 -5.283 -8.520 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.979 -6.741 -2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.253 -6.790 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.828 -4.883 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.422 -4.575 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.265 -4.778 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.928 -5.209 -4.913 1.00 0.00 H new ATOM 1323 N PRO A 84 -7.705 -9.112 -4.326 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.024 -9.669 -4.710 1.00 0.00 C ATOM 1325 C PRO A 84 -10.102 -8.590 -4.577 1.00 0.00 C ATOM 1326 O PRO A 84 -10.773 -8.489 -3.569 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.261 -10.803 -3.708 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.264 -10.593 -2.610 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.114 -9.813 -3.187 1.00 0.00 C ATOM 0 HA PRO A 84 -9.056 -10.020 -5.741 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.280 -10.776 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.124 -11.776 -4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.717 -10.051 -1.780 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.920 -11.549 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.699 -9.115 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.302 -10.470 -3.499 1.00 0.00 H new ATOM 1387 N TYR A 89 -9.238 -2.080 3.917 1.00 0.00 N ATOM 1388 CA TYR A 89 -8.068 -1.277 4.376 1.00 0.00 C ATOM 1389 C TYR A 89 -6.746 -1.845 3.852 1.00 0.00 C ATOM 1390 O TYR A 89 -6.204 -2.785 4.398 1.00 0.00 O ATOM 1391 CB TYR A 89 -8.109 -1.361 5.901 1.00 0.00 C ATOM 1392 CG TYR A 89 -9.519 -1.120 6.386 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -10.033 0.181 6.420 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -10.309 -2.197 6.804 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.341 0.405 6.870 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -11.615 -1.974 7.254 1.00 0.00 C ATOM 1397 CZ TYR A 89 -12.131 -0.672 7.287 1.00 0.00 C ATOM 1398 OH TYR A 89 -13.420 -0.452 7.730 1.00 0.00 O ATOM 0 HA TYR A 89 -8.123 -0.253 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.763 -2.341 6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.434 -0.623 6.334 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.422 1.012 6.100 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.910 -3.200 6.779 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.739 1.409 6.895 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -12.225 -2.805 7.576 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.830 -1.306 7.981 1.00 0.00 H new ATOM 1408 N ILE A 90 -6.200 -1.258 2.819 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.892 -1.742 2.296 1.00 0.00 C ATOM 1410 C ILE A 90 -3.797 -1.284 3.266 1.00 0.00 C ATOM 1411 O ILE A 90 -4.054 -0.480 4.142 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.747 -1.082 0.915 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -3.824 -1.932 0.037 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -4.163 0.327 1.056 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -4.534 -2.260 -1.280 1.00 0.00 C ATOM 0 H ILE A 90 -6.603 -0.467 2.317 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.820 -2.826 2.208 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.732 -1.011 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.896 -1.395 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.555 -2.852 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.066 0.781 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.825 0.935 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.181 0.269 1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.878 -2.865 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.449 -2.814 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.780 -1.335 -1.801 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.591 -1.776 3.155 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.552 -1.326 4.125 1.00 0.00 C ATOM 1429 C ILE A 91 -0.260 -0.906 3.422 1.00 0.00 C ATOM 1430 O ILE A 91 0.156 -1.492 2.442 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.304 -2.532 5.024 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.595 -2.881 5.771 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.207 -2.191 6.034 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.437 -4.238 6.456 1.00 0.00 C ATOM 0 H ILE A 91 -2.286 -2.452 2.454 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.884 -0.450 4.682 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.992 -3.383 4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.819 -2.112 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.434 -2.908 5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.026 -3.051 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.710 -1.937 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.522 -1.342 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.356 -4.486 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.234 -5.003 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.609 -4.194 7.163 1.00 0.00 H new ATOM 1446 N ILE A 92 0.377 0.109 3.939 1.00 0.00 N ATOM 1447 CA ILE A 92 1.652 0.599 3.345 1.00 0.00 C ATOM 1448 C ILE A 92 2.667 0.826 4.470 1.00 0.00 C ATOM 1449 O ILE A 92 2.328 1.342 5.514 1.00 0.00 O ATOM 1450 CB ILE A 92 1.270 1.922 2.661 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.016 1.669 1.176 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.391 2.956 2.812 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.237 2.847 0.593 1.00 0.00 C ATOM 0 H ILE A 92 0.063 0.626 4.760 1.00 0.00 H new ATOM 0 HA ILE A 92 2.105 -0.098 2.640 1.00 0.00 H new ATOM 0 HB ILE A 92 0.369 2.311 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.962 1.546 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.454 0.744 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.099 3.884 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.570 3.147 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.303 2.574 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.053 2.672 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.714 2.948 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.816 3.762 0.714 1.00 0.00 H new ATOM 1465 N GLY A 93 3.900 0.451 4.285 1.00 0.00 N ATOM 1466 CA GLY A 93 4.883 0.667 5.374 1.00 0.00 C ATOM 1467 C GLY A 93 4.827 -0.519 6.330 1.00 0.00 C ATOM 1468 O GLY A 93 4.380 -1.593 5.981 1.00 0.00 O ATOM 0 H GLY A 93 4.264 0.011 3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.886 0.772 4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.659 1.591 5.906 1.00 0.00 H new ATOM 1472 N VAL A 94 5.281 -0.342 7.531 1.00 0.00 N ATOM 1473 CA VAL A 94 5.258 -1.474 8.495 1.00 0.00 C ATOM 1474 C VAL A 94 4.496 -1.083 9.756 1.00 0.00 C ATOM 1475 O VAL A 94 4.481 0.068 10.142 1.00 0.00 O ATOM 1476 CB VAL A 94 6.728 -1.770 8.813 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.227 -2.854 7.858 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.576 -0.505 8.627 1.00 0.00 C ATOM 0 H VAL A 94 5.666 0.532 7.890 1.00 0.00 H new ATOM 0 HA VAL A 94 4.754 -2.349 8.085 1.00 0.00 H new ATOM 0 HB VAL A 94 6.815 -2.104 9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.273 -3.075 8.073 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.631 -3.757 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.134 -2.504 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.618 -0.729 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.497 -0.162 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.217 0.276 9.297 1.00 0.00 H new ATOM 1488 N GLU A 95 3.867 -2.049 10.388 1.00 0.00 N ATOM 1489 CA GLU A 95 3.083 -1.795 11.642 1.00 0.00 C ATOM 1490 C GLU A 95 3.513 -0.492 12.320 1.00 0.00 C ATOM 1491 O GLU A 95 2.702 0.384 12.532 1.00 0.00 O ATOM 1492 CB GLU A 95 3.390 -2.990 12.544 1.00 0.00 C ATOM 1493 CG GLU A 95 2.286 -4.039 12.397 1.00 0.00 C ATOM 1494 CD GLU A 95 2.781 -5.381 12.940 1.00 0.00 C ATOM 1495 OE1 GLU A 95 2.835 -5.525 14.150 1.00 0.00 O ATOM 1496 OE2 GLU A 95 3.099 -6.242 12.136 1.00 0.00 O ATOM 0 H GLU A 95 3.864 -3.022 10.081 1.00 0.00 H new ATOM 0 HA GLU A 95 2.019 -1.689 11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.354 -3.422 12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.462 -2.666 13.582 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.394 -3.722 12.938 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.003 -4.141 11.349 1.00 0.00 H new ATOM 1503 N PRO A 96 4.782 -0.411 12.637 1.00 0.00 N ATOM 1504 CA PRO A 96 5.337 0.804 13.294 1.00 0.00 C ATOM 1505 C PRO A 96 5.018 2.083 12.499 1.00 0.00 C ATOM 1506 O PRO A 96 5.895 2.699 11.926 1.00 0.00 O ATOM 1507 CB PRO A 96 6.851 0.552 13.313 1.00 0.00 C ATOM 1508 CG PRO A 96 7.081 -0.622 12.416 1.00 0.00 C ATOM 1509 CD PRO A 96 5.818 -1.429 12.434 1.00 0.00 C ATOM 0 HA PRO A 96 4.911 0.961 14.285 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.397 1.427 12.960 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.200 0.345 14.325 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.318 -0.295 11.403 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.926 -1.216 12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.673 -1.973 11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.822 -2.167 13.236 1.00 0.00 H new ATOM 1517 N GLY A 97 3.779 2.503 12.482 1.00 0.00 N ATOM 1518 CA GLY A 97 3.421 3.756 11.752 1.00 0.00 C ATOM 1519 C GLY A 97 3.014 3.449 10.305 1.00 0.00 C ATOM 1520 O GLY A 97 2.803 4.344 9.512 1.00 0.00 O ATOM 0 H GLY A 97 3.000 2.032 12.942 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.602 4.259 12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.269 4.440 11.758 1.00 0.00 H new ATOM 1524 N GLN A 98 2.900 2.199 9.952 1.00 0.00 N ATOM 1525 CA GLN A 98 2.503 1.855 8.553 1.00 0.00 C ATOM 1526 C GLN A 98 1.216 2.604 8.172 1.00 0.00 C ATOM 1527 O GLN A 98 0.487 3.076 9.022 1.00 0.00 O ATOM 1528 CB GLN A 98 2.316 0.323 8.585 1.00 0.00 C ATOM 1529 CG GLN A 98 0.910 -0.093 8.129 1.00 0.00 C ATOM 1530 CD GLN A 98 0.621 -1.513 8.619 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.402 -1.762 9.226 1.00 0.00 O ATOM 1532 NE2 GLN A 98 1.485 -2.462 8.380 1.00 0.00 N ATOM 0 H GLN A 98 3.063 1.402 10.567 1.00 0.00 H new ATOM 0 HA GLN A 98 3.237 2.146 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.060 -0.147 7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.493 -0.043 9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.167 0.599 8.525 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.840 -0.049 7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.344 -2.253 7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.301 -3.412 8.703 1.00 0.00 H new ATOM 1541 N LEU A 99 0.937 2.721 6.899 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.294 3.445 6.464 1.00 0.00 C ATOM 1543 C LEU A 99 -1.443 2.463 6.217 1.00 0.00 C ATOM 1544 O LEU A 99 -1.257 1.262 6.192 1.00 0.00 O ATOM 1545 CB LEU A 99 0.101 4.132 5.159 1.00 0.00 C ATOM 1546 CG LEU A 99 0.341 5.618 5.412 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.848 6.274 4.128 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.971 6.282 5.839 1.00 0.00 C ATOM 0 H LEU A 99 1.509 2.346 6.142 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.641 4.150 7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.002 3.672 4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.686 4.002 4.416 1.00 0.00 H new ATOM 0 HG LEU A 99 1.082 5.738 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.020 7.336 4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.781 5.801 3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.105 6.154 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.800 7.343 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.713 6.163 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.336 5.813 6.753 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.630 2.974 6.026 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.803 2.088 5.769 1.00 0.00 C ATOM 1562 C LYS A 100 -4.849 2.842 4.940 1.00 0.00 C ATOM 1563 O LYS A 100 -5.051 4.027 5.117 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.354 1.747 7.149 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.263 0.236 7.377 1.00 0.00 C ATOM 1566 CD LYS A 100 -3.576 -0.040 8.716 1.00 0.00 C ATOM 1567 CE LYS A 100 -4.585 -0.648 9.692 1.00 0.00 C ATOM 1568 NZ LYS A 100 -5.128 0.511 10.456 1.00 0.00 N ATOM 0 H LYS A 100 -2.839 3.972 6.037 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.535 1.191 5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.791 2.276 7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.390 2.076 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.260 -0.204 7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.704 -0.231 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.737 -0.721 8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.170 0.885 9.126 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.377 -1.178 9.162 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.107 -1.369 10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.828 0.174 11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.353 0.992 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.583 1.177 9.799 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.509 2.176 4.031 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.530 2.881 3.195 1.00 0.00 C ATOM 1584 C LEU A 101 -7.775 2.009 3.003 1.00 0.00 C ATOM 1585 O LEU A 101 -7.717 0.944 2.422 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.839 3.126 1.854 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.539 3.898 2.081 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.366 2.918 2.136 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.324 4.884 0.930 1.00 0.00 C ATOM 0 H LEU A 101 -5.389 1.183 3.830 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.868 3.806 3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.629 2.176 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.497 3.688 1.192 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.601 4.444 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.439 3.468 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.518 2.214 2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.304 2.372 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.397 5.435 1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.262 4.337 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.159 5.583 0.889 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.906 2.462 3.480 1.00 0.00 N ATOM 1602 CA ASN A 102 -10.161 1.667 3.321 1.00 0.00 C ATOM 1603 C ASN A 102 -10.463 1.447 1.836 1.00 0.00 C ATOM 1604 O ASN A 102 -10.172 2.282 1.003 1.00 0.00 O ATOM 1605 CB ASN A 102 -11.251 2.518 3.971 1.00 0.00 C ATOM 1606 CG ASN A 102 -12.618 1.879 3.719 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -12.728 0.673 3.621 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -13.672 2.641 3.611 1.00 0.00 N ATOM 0 H ASN A 102 -9.015 3.348 3.973 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.087 0.680 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.070 2.603 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.230 3.528 3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.588 2.224 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.580 3.653 3.693 1.00 0.00 H new ATOM 1615 N TRP A 103 -11.031 0.321 1.496 1.00 0.00 N ATOM 1616 CA TRP A 103 -11.335 0.040 0.067 1.00 0.00 C ATOM 1617 C TRP A 103 -12.256 -1.179 -0.054 1.00 0.00 C ATOM 1618 O TRP A 103 -11.919 -2.161 -0.683 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.972 -0.265 -0.537 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.979 0.059 -1.995 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -9.708 -0.820 -2.988 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.264 1.333 -2.644 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -9.807 -0.167 -4.203 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.147 1.162 -4.043 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.608 2.607 -2.158 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.365 2.216 -4.929 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.828 3.671 -3.047 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.707 3.476 -4.431 1.00 0.00 C ATOM 0 H TRP A 103 -11.297 -0.416 2.149 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.846 0.866 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -9.202 0.316 -0.030 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.726 -1.317 -0.390 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -9.456 -1.861 -2.853 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -9.648 -0.612 -5.107 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.704 2.768 -1.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.270 2.060 -5.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -11.092 4.645 -2.663 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.878 4.298 -5.110 1.00 0.00 H new