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 -39:sc= 0.897 USER MOD Set 1.2: A 31 THR OG1 : rot 84:sc= 0.769! USER MOD Set 2.1: A 19 LYS NZ :NH3+ -119:sc= 0.33 (180deg=0) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.545 K(o=-0.21,f=-1.1) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 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 : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.072) USER MOD Single : A 38 TYR OH : rot -59:sc= -2.77 USER MOD Single : A 43 SER OG : rot -162:sc= -3.37! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 67 ASN : amide:sc= -6.52! C(o=-6.5!,f=-9!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.237 (180deg=0.189) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.77! C(o=-1.8!,f=-11!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -5.58! C(o=-5.6!,f=-5.1!) USER MOD Single : A 100 LYS NZ :NH3+ 144:sc= -0.272 (180deg=-1.86!) USER MOD Single : A 102 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 11.702 -0.369 3.210 1.00 0.00 N ATOM 216 CA CYS A 14 11.903 0.962 3.850 1.00 0.00 C ATOM 217 C CYS A 14 11.290 0.938 5.255 1.00 0.00 C ATOM 218 O CYS A 14 10.099 1.105 5.430 1.00 0.00 O ATOM 219 CB CYS A 14 11.181 1.950 2.929 1.00 0.00 C ATOM 220 SG CYS A 14 12.320 2.480 1.626 1.00 0.00 S ATOM 0 HA CYS A 14 12.951 1.237 3.969 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.300 1.481 2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.834 2.812 3.499 1.00 0.00 H new ATOM 225 N THR A 15 12.100 0.699 6.253 1.00 0.00 N ATOM 226 CA THR A 15 11.585 0.624 7.654 1.00 0.00 C ATOM 227 C THR A 15 11.026 1.971 8.114 1.00 0.00 C ATOM 228 O THR A 15 10.385 2.063 9.142 1.00 0.00 O ATOM 229 CB THR A 15 12.802 0.237 8.496 1.00 0.00 C ATOM 230 OG1 THR A 15 13.751 1.294 8.466 1.00 0.00 O ATOM 231 CG2 THR A 15 13.432 -1.035 7.930 1.00 0.00 C ATOM 0 H THR A 15 13.105 0.551 6.157 1.00 0.00 H new ATOM 0 HA THR A 15 10.768 -0.091 7.745 1.00 0.00 H new ATOM 0 HB THR A 15 12.491 0.057 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.531 1.049 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.299 -1.310 8.531 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.702 -1.844 7.954 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.745 -0.859 6.901 1.00 0.00 H new ATOM 239 N GLY A 16 11.263 3.014 7.373 1.00 0.00 N ATOM 240 CA GLY A 16 10.742 4.340 7.778 1.00 0.00 C ATOM 241 C GLY A 16 9.218 4.284 7.861 1.00 0.00 C ATOM 242 O GLY A 16 8.638 3.280 8.224 1.00 0.00 O ATOM 0 H GLY A 16 11.796 3.003 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.159 4.627 8.743 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.050 5.099 7.059 1.00 0.00 H new ATOM 246 N LYS A 17 8.566 5.358 7.531 1.00 0.00 N ATOM 247 CA LYS A 17 7.081 5.382 7.589 1.00 0.00 C ATOM 248 C LYS A 17 6.530 5.870 6.250 1.00 0.00 C ATOM 249 O LYS A 17 7.279 6.250 5.374 1.00 0.00 O ATOM 250 CB LYS A 17 6.779 6.380 8.698 1.00 0.00 C ATOM 251 CG LYS A 17 5.999 5.690 9.815 1.00 0.00 C ATOM 252 CD LYS A 17 6.875 5.605 11.067 1.00 0.00 C ATOM 253 CE LYS A 17 7.425 4.184 11.210 1.00 0.00 C ATOM 254 NZ LYS A 17 8.827 4.361 11.683 1.00 0.00 N ATOM 0 H LYS A 17 9.000 6.227 7.221 1.00 0.00 H new ATOM 0 HA LYS A 17 6.633 4.407 7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.708 6.793 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.202 7.215 8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.086 6.245 10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.697 4.691 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.696 6.319 10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.293 5.872 11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.838 3.603 11.922 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.393 3.651 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.272 3.429 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.363 4.912 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.825 4.866 12.592 1.00 0.00 H new ATOM 268 N PHE A 18 5.240 5.856 6.064 1.00 0.00 N ATOM 269 CA PHE A 18 4.702 6.316 4.756 1.00 0.00 C ATOM 270 C PHE A 18 3.562 7.317 4.924 1.00 0.00 C ATOM 271 O PHE A 18 2.645 7.121 5.698 1.00 0.00 O ATOM 272 CB PHE A 18 4.220 5.051 4.077 1.00 0.00 C ATOM 273 CG PHE A 18 5.421 4.336 3.526 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.205 3.552 4.374 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.765 4.474 2.178 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.339 2.904 3.879 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.897 3.823 1.679 1.00 0.00 C ATOM 278 CZ PHE A 18 7.686 3.038 2.530 1.00 0.00 C ATOM 0 H PHE A 18 4.547 5.552 6.747 1.00 0.00 H new ATOM 0 HA PHE A 18 5.459 6.842 4.174 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.690 4.415 4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.519 5.291 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.934 3.446 5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.158 5.082 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.947 2.300 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.163 3.925 0.637 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.562 2.537 2.145 1.00 0.00 H new ATOM 288 N LYS A 19 3.618 8.386 4.181 1.00 0.00 N ATOM 289 CA LYS A 19 2.551 9.416 4.252 1.00 0.00 C ATOM 290 C LYS A 19 1.711 9.353 2.978 1.00 0.00 C ATOM 291 O LYS A 19 2.221 9.504 1.887 1.00 0.00 O ATOM 292 CB LYS A 19 3.297 10.748 4.324 1.00 0.00 C ATOM 293 CG LYS A 19 2.288 11.898 4.372 1.00 0.00 C ATOM 294 CD LYS A 19 3.032 13.232 4.295 1.00 0.00 C ATOM 295 CE LYS A 19 3.407 13.523 2.840 1.00 0.00 C ATOM 296 NZ LYS A 19 3.978 14.899 2.859 1.00 0.00 N ATOM 0 H LYS A 19 4.368 8.590 3.520 1.00 0.00 H new ATOM 0 HA LYS A 19 1.883 9.277 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.934 10.772 5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.949 10.859 3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.584 11.813 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.705 11.847 5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.406 14.033 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.929 13.197 4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.132 12.800 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.535 13.466 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.402 15.522 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.978 15.261 3.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.953 14.875 2.498 1.00 0.00 H new ATOM 310 N VAL A 20 0.435 9.131 3.095 1.00 0.00 N ATOM 311 CA VAL A 20 -0.399 9.066 1.867 1.00 0.00 C ATOM 312 C VAL A 20 -0.296 10.398 1.117 1.00 0.00 C ATOM 313 O VAL A 20 -0.466 11.459 1.682 1.00 0.00 O ATOM 314 CB VAL A 20 -1.827 8.829 2.359 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.764 8.674 1.157 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.869 7.552 3.201 1.00 0.00 C ATOM 0 H VAL A 20 -0.062 8.993 3.975 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.082 8.279 1.183 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.148 9.678 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.782 8.505 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.734 9.581 0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.443 7.825 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.886 7.381 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.548 6.705 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.202 7.658 4.057 1.00 0.00 H new ATOM 326 N VAL A 21 -0.029 10.337 -0.152 1.00 0.00 N ATOM 327 CA VAL A 21 0.082 11.571 -0.969 1.00 0.00 C ATOM 328 C VAL A 21 -1.184 11.665 -1.810 1.00 0.00 C ATOM 329 O VAL A 21 -1.646 12.730 -2.169 1.00 0.00 O ATOM 330 CB VAL A 21 1.330 11.348 -1.831 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.482 12.476 -2.849 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.565 11.323 -0.928 1.00 0.00 C ATOM 0 H VAL A 21 0.120 9.469 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 21 0.175 12.496 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 21 1.229 10.401 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.373 12.303 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.605 12.504 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.577 13.428 -2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.456 11.165 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.649 12.273 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.470 10.513 -0.204 1.00 0.00 H new ATOM 342 N LYS A 22 -1.763 10.530 -2.081 1.00 0.00 N ATOM 343 CA LYS A 22 -3.031 10.482 -2.849 1.00 0.00 C ATOM 344 C LYS A 22 -3.754 9.178 -2.513 1.00 0.00 C ATOM 345 O LYS A 22 -3.161 8.108 -2.487 1.00 0.00 O ATOM 346 CB LYS A 22 -2.644 10.531 -4.320 1.00 0.00 C ATOM 347 CG LYS A 22 -3.884 10.252 -5.171 1.00 0.00 C ATOM 348 CD LYS A 22 -3.465 9.539 -6.455 1.00 0.00 C ATOM 349 CE LYS A 22 -4.497 9.808 -7.553 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.822 9.411 -8.819 1.00 0.00 N ATOM 0 H LYS A 22 -1.402 9.619 -1.796 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.699 11.310 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.229 11.508 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.869 9.793 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.591 9.637 -4.614 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.393 11.186 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.482 9.888 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.380 8.467 -6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.406 9.228 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.788 10.858 -7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.467 9.566 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.964 9.984 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.563 8.405 -8.773 1.00 0.00 H new ATOM 364 N GLU A 23 -5.025 9.273 -2.237 1.00 0.00 N ATOM 365 CA GLU A 23 -5.820 8.066 -1.867 1.00 0.00 C ATOM 366 C GLU A 23 -5.649 6.956 -2.897 1.00 0.00 C ATOM 367 O GLU A 23 -5.327 7.197 -4.044 1.00 0.00 O ATOM 368 CB GLU A 23 -7.271 8.544 -1.834 1.00 0.00 C ATOM 369 CG GLU A 23 -7.983 7.931 -0.626 1.00 0.00 C ATOM 370 CD GLU A 23 -8.572 9.047 0.239 1.00 0.00 C ATOM 371 OE1 GLU A 23 -8.773 10.131 -0.283 1.00 0.00 O ATOM 372 OE2 GLU A 23 -8.812 8.798 1.409 1.00 0.00 O ATOM 0 H GLU A 23 -5.554 10.145 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.498 7.650 -0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.305 9.632 -1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.781 8.257 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.774 7.259 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.282 7.335 -0.042 1.00 0.00 H new ATOM 379 N ILE A 24 -5.866 5.737 -2.492 1.00 0.00 N ATOM 380 CA ILE A 24 -5.722 4.603 -3.442 1.00 0.00 C ATOM 381 C ILE A 24 -6.524 4.885 -4.713 1.00 0.00 C ATOM 382 O ILE A 24 -7.680 5.256 -4.665 1.00 0.00 O ATOM 383 CB ILE A 24 -6.268 3.373 -2.691 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.105 2.583 -2.090 1.00 0.00 C ATOM 385 CG2 ILE A 24 -7.037 2.454 -3.646 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.101 2.234 -3.193 1.00 0.00 C ATOM 0 H ILE A 24 -6.137 5.478 -1.543 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.690 4.445 -3.754 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.939 3.721 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.617 3.169 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.475 1.672 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.414 1.592 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.873 3.000 -4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.371 2.115 -4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.272 1.671 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.594 1.631 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.722 3.151 -3.644 1.00 0.00 H new ATOM 398 N ALA A 25 -5.921 4.684 -5.845 1.00 0.00 N ATOM 399 CA ALA A 25 -6.638 4.908 -7.123 1.00 0.00 C ATOM 400 C ALA A 25 -6.943 3.549 -7.746 1.00 0.00 C ATOM 401 O ALA A 25 -6.465 2.539 -7.280 1.00 0.00 O ATOM 402 CB ALA A 25 -5.666 5.702 -7.996 1.00 0.00 C ATOM 0 H ALA A 25 -4.955 4.372 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.580 5.443 -7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.128 5.906 -8.962 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.421 6.644 -7.504 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.755 5.123 -8.145 1.00 0.00 H new ATOM 408 N GLU A 26 -7.728 3.498 -8.778 1.00 0.00 N ATOM 409 CA GLU A 26 -8.033 2.175 -9.384 1.00 0.00 C ATOM 410 C GLU A 26 -7.498 2.103 -10.812 1.00 0.00 C ATOM 411 O GLU A 26 -7.721 2.985 -11.616 1.00 0.00 O ATOM 412 CB GLU A 26 -9.556 2.074 -9.370 1.00 0.00 C ATOM 413 CG GLU A 26 -10.156 3.335 -9.991 1.00 0.00 C ATOM 414 CD GLU A 26 -10.807 4.185 -8.898 1.00 0.00 C ATOM 415 OE1 GLU A 26 -10.195 4.343 -7.855 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.907 4.664 -9.124 1.00 0.00 O ATOM 0 H GLU A 26 -8.168 4.302 -9.226 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.566 1.356 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.878 1.193 -9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.914 1.954 -8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.379 3.908 -10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.896 3.065 -10.745 1.00 0.00 H new ATOM 423 N THR A 27 -6.788 1.056 -11.132 1.00 0.00 N ATOM 424 CA THR A 27 -6.236 0.930 -12.510 1.00 0.00 C ATOM 425 C THR A 27 -7.245 0.220 -13.417 1.00 0.00 C ATOM 426 O THR A 27 -8.275 -0.247 -12.971 1.00 0.00 O ATOM 427 CB THR A 27 -4.964 0.097 -12.356 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.314 -1.265 -12.163 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.162 0.597 -11.152 1.00 0.00 C ATOM 0 H THR A 27 -6.567 0.285 -10.501 1.00 0.00 H new ATOM 0 HA THR A 27 -6.029 1.899 -12.964 1.00 0.00 H new ATOM 0 HB THR A 27 -4.356 0.193 -13.256 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.103 -1.321 -11.585 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.256 0.001 -11.045 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.893 1.642 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.765 0.504 -10.249 1.00 0.00 H new ATOM 437 N GLN A 28 -6.962 0.139 -14.688 1.00 0.00 N ATOM 438 CA GLN A 28 -7.910 -0.537 -15.621 1.00 0.00 C ATOM 439 C GLN A 28 -7.614 -2.037 -15.691 1.00 0.00 C ATOM 440 O GLN A 28 -7.855 -2.679 -16.694 1.00 0.00 O ATOM 441 CB GLN A 28 -7.663 0.122 -16.979 1.00 0.00 C ATOM 442 CG GLN A 28 -7.643 1.642 -16.812 1.00 0.00 C ATOM 443 CD GLN A 28 -9.033 2.131 -16.400 1.00 0.00 C ATOM 444 OE1 GLN A 28 -9.196 2.723 -15.353 1.00 0.00 O ATOM 445 NE2 GLN A 28 -10.050 1.904 -17.186 1.00 0.00 N ATOM 0 H GLN A 28 -6.117 0.511 -15.121 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.946 -0.436 -15.298 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.716 -0.221 -17.395 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.444 -0.167 -17.683 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.908 1.926 -16.058 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.341 2.117 -17.746 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.913 1.407 -18.066 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.981 2.224 -16.920 1.00 0.00 H new ATOM 454 N HIS A 29 -7.096 -2.603 -14.635 1.00 0.00 N ATOM 455 CA HIS A 29 -6.790 -4.063 -14.649 1.00 0.00 C ATOM 456 C HIS A 29 -7.329 -4.731 -13.380 1.00 0.00 C ATOM 457 O HIS A 29 -7.089 -5.896 -13.131 1.00 0.00 O ATOM 458 CB HIS A 29 -5.265 -4.147 -14.695 1.00 0.00 C ATOM 459 CG HIS A 29 -4.812 -4.280 -16.124 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.702 -3.608 -16.612 1.00 0.00 N ATOM 461 CD2 HIS A 29 -5.309 -5.001 -17.181 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.569 -3.937 -17.911 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.523 -4.783 -18.308 1.00 0.00 N ATOM 0 H HIS A 29 -6.872 -2.120 -13.765 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.252 -4.573 -15.494 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.827 -3.256 -14.245 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.920 -5.001 -14.112 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.178 -5.641 -17.143 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.786 -3.562 -18.554 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.648 -5.183 -19.238 1.00 0.00 H new ATOM 471 N GLY A 30 -8.051 -4.001 -12.574 1.00 0.00 N ATOM 472 CA GLY A 30 -8.597 -4.593 -11.321 1.00 0.00 C ATOM 473 C GLY A 30 -7.684 -4.229 -10.149 1.00 0.00 C ATOM 474 O GLY A 30 -7.950 -4.565 -9.012 1.00 0.00 O ATOM 0 H GLY A 30 -8.286 -3.021 -12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.606 -4.222 -11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.668 -5.676 -11.418 1.00 0.00 H new ATOM 478 N THR A 31 -6.607 -3.543 -10.419 1.00 0.00 N ATOM 479 CA THR A 31 -5.672 -3.154 -9.327 1.00 0.00 C ATOM 480 C THR A 31 -6.028 -1.770 -8.790 1.00 0.00 C ATOM 481 O THR A 31 -6.963 -1.134 -9.234 1.00 0.00 O ATOM 482 CB THR A 31 -4.288 -3.115 -9.979 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.417 -3.266 -11.386 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.434 -4.249 -9.421 1.00 0.00 C ATOM 0 H THR A 31 -6.334 -3.235 -11.352 1.00 0.00 H new ATOM 0 HA THR A 31 -5.717 -3.850 -8.489 1.00 0.00 H new ATOM 0 HB THR A 31 -3.812 -2.159 -9.762 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.610 -2.395 -11.792 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.448 -4.223 -9.884 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.332 -4.131 -8.342 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.912 -5.205 -9.637 1.00 0.00 H new ATOM 492 N ILE A 32 -5.263 -1.293 -7.854 1.00 0.00 N ATOM 493 CA ILE A 32 -5.511 0.061 -7.290 1.00 0.00 C ATOM 494 C ILE A 32 -4.160 0.732 -7.102 1.00 0.00 C ATOM 495 O ILE A 32 -3.147 0.073 -7.055 1.00 0.00 O ATOM 496 CB ILE A 32 -6.230 -0.110 -5.939 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.409 -1.591 -5.586 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.606 0.551 -6.028 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.581 -1.738 -4.074 1.00 0.00 C ATOM 0 H ILE A 32 -4.468 -1.788 -7.450 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.131 0.672 -7.945 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.624 0.356 -5.162 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.279 -1.996 -6.103 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.544 -2.163 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.127 0.437 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.487 1.611 -6.252 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.187 0.077 -6.819 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.708 -2.791 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.698 -1.348 -3.568 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.460 -1.179 -3.752 1.00 0.00 H new ATOM 511 N VAL A 33 -4.118 2.023 -7.033 1.00 0.00 N ATOM 512 CA VAL A 33 -2.799 2.693 -6.900 1.00 0.00 C ATOM 513 C VAL A 33 -2.721 3.581 -5.662 1.00 0.00 C ATOM 514 O VAL A 33 -3.554 4.436 -5.441 1.00 0.00 O ATOM 515 CB VAL A 33 -2.705 3.533 -8.163 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.482 4.441 -8.081 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.591 2.603 -9.372 1.00 0.00 C ATOM 0 H VAL A 33 -4.928 2.642 -7.062 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.986 1.976 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.596 4.152 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.415 5.043 -8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.573 5.097 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.583 3.833 -7.982 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.523 3.197 -10.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.698 1.986 -9.274 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.471 1.962 -9.422 1.00 0.00 H new ATOM 527 N ILE A 34 -1.706 3.398 -4.861 1.00 0.00 N ATOM 528 CA ILE A 34 -1.554 4.240 -3.655 1.00 0.00 C ATOM 529 C ILE A 34 -0.351 5.158 -3.818 1.00 0.00 C ATOM 530 O ILE A 34 0.767 4.715 -3.946 1.00 0.00 O ATOM 531 CB ILE A 34 -1.374 3.251 -2.498 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.144 3.787 -1.310 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.105 3.086 -2.118 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.405 4.986 -0.730 1.00 0.00 C ATOM 0 H ILE A 34 -0.977 2.698 -4.996 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.410 4.890 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.744 2.272 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.149 4.078 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.253 3.011 -0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.192 2.377 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.662 2.714 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.512 4.050 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.957 5.374 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.409 4.680 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.320 5.763 -1.490 1.00 0.00 H new ATOM 546 N ARG A 35 -0.574 6.432 -3.802 1.00 0.00 N ATOM 547 CA ARG A 35 0.557 7.378 -3.952 1.00 0.00 C ATOM 548 C ARG A 35 0.858 7.975 -2.586 1.00 0.00 C ATOM 549 O ARG A 35 0.050 8.673 -2.006 1.00 0.00 O ATOM 550 CB ARG A 35 0.066 8.420 -4.969 1.00 0.00 C ATOM 551 CG ARG A 35 0.453 9.839 -4.533 1.00 0.00 C ATOM 552 CD ARG A 35 0.390 10.779 -5.739 1.00 0.00 C ATOM 553 NE ARG A 35 1.635 10.503 -6.506 1.00 0.00 N ATOM 554 CZ ARG A 35 1.914 11.195 -7.578 1.00 0.00 C ATOM 555 NH1 ARG A 35 1.101 12.134 -7.983 1.00 0.00 N ATOM 556 NH2 ARG A 35 3.007 10.949 -8.245 1.00 0.00 N ATOM 0 H ARG A 35 -1.492 6.863 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 35 1.483 6.925 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.494 8.207 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.017 8.350 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.222 10.187 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.458 9.840 -4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.497 10.587 -6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.343 11.822 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 35 2.273 9.771 -6.193 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.246 12.328 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.321 12.673 -8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.643 10.217 -7.929 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.226 11.489 -9.082 1.00 0.00 H new ATOM 570 N VAL A 36 2.006 7.689 -2.059 1.00 0.00 N ATOM 571 CA VAL A 36 2.351 8.212 -0.730 1.00 0.00 C ATOM 572 C VAL A 36 3.741 8.779 -0.765 1.00 0.00 C ATOM 573 O VAL A 36 4.320 8.964 -1.810 1.00 0.00 O ATOM 574 CB VAL A 36 2.258 7.014 0.217 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.066 6.140 -0.175 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.542 6.183 0.137 1.00 0.00 C ATOM 0 H VAL A 36 2.722 7.111 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 36 1.688 9.014 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 36 2.127 7.378 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.002 5.287 0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.149 6.725 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.196 5.784 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.468 5.332 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.680 5.824 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.394 6.801 0.423 1.00 0.00 H new ATOM 586 N GLN A 37 4.270 9.065 0.365 1.00 0.00 N ATOM 587 CA GLN A 37 5.619 9.638 0.413 1.00 0.00 C ATOM 588 C GLN A 37 6.409 8.926 1.501 1.00 0.00 C ATOM 589 O GLN A 37 5.975 8.827 2.631 1.00 0.00 O ATOM 590 CB GLN A 37 5.356 11.093 0.765 1.00 0.00 C ATOM 591 CG GLN A 37 6.681 11.840 0.930 1.00 0.00 C ATOM 592 CD GLN A 37 6.438 13.346 0.808 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.725 14.094 1.721 1.00 0.00 O ATOM 594 NE2 GLN A 37 5.917 13.823 -0.288 1.00 0.00 N ATOM 0 H GLN A 37 3.823 8.926 1.271 1.00 0.00 H new ATOM 0 HA GLN A 37 6.196 9.539 -0.506 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.759 11.563 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.778 11.154 1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.122 11.610 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.392 11.513 0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.676 13.194 -1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.750 14.825 -0.379 1.00 0.00 H new ATOM 603 N TYR A 38 7.551 8.404 1.174 1.00 0.00 N ATOM 604 CA TYR A 38 8.333 7.676 2.208 1.00 0.00 C ATOM 605 C TYR A 38 8.691 8.625 3.359 1.00 0.00 C ATOM 606 O TYR A 38 9.222 9.694 3.153 1.00 0.00 O ATOM 607 CB TYR A 38 9.590 7.194 1.480 1.00 0.00 C ATOM 608 CG TYR A 38 10.434 6.330 2.392 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.913 5.851 3.600 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.746 6.012 2.025 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.705 5.058 4.439 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.537 5.218 2.862 1.00 0.00 C ATOM 613 CZ TYR A 38 12.017 4.742 4.071 1.00 0.00 C ATOM 614 OH TYR A 38 12.797 3.960 4.897 1.00 0.00 O ATOM 0 H TYR A 38 7.976 8.447 0.248 1.00 0.00 H new ATOM 0 HA TYR A 38 7.780 6.846 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.308 6.628 0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.172 8.051 1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.900 6.093 3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.149 6.380 1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.303 4.690 5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.549 4.972 2.575 1.00 0.00 H new ATOM 0 HH TYR A 38 12.883 4.393 5.772 1.00 0.00 H new ATOM 624 N GLU A 39 8.384 8.248 4.571 1.00 0.00 N ATOM 625 CA GLU A 39 8.695 9.131 5.732 1.00 0.00 C ATOM 626 C GLU A 39 9.528 8.371 6.764 1.00 0.00 C ATOM 627 O GLU A 39 8.997 7.748 7.662 1.00 0.00 O ATOM 628 CB GLU A 39 7.335 9.494 6.322 1.00 0.00 C ATOM 629 CG GLU A 39 6.774 10.717 5.594 1.00 0.00 C ATOM 630 CD GLU A 39 6.220 11.711 6.617 1.00 0.00 C ATOM 631 OE1 GLU A 39 6.109 11.339 7.774 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.917 12.825 6.226 1.00 0.00 O ATOM 0 H GLU A 39 7.931 7.365 4.808 1.00 0.00 H new ATOM 0 HA GLU A 39 9.268 10.011 5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.648 8.653 6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.433 9.705 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.556 11.189 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.987 10.413 4.904 1.00 0.00 H new ATOM 639 N GLY A 40 10.826 8.409 6.649 1.00 0.00 N ATOM 640 CA GLY A 40 11.674 7.678 7.631 1.00 0.00 C ATOM 641 C GLY A 40 13.080 7.500 7.069 1.00 0.00 C ATOM 642 O GLY A 40 13.553 8.291 6.278 1.00 0.00 O ATOM 0 H GLY A 40 11.334 8.912 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.715 8.229 8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.235 6.705 7.851 1.00 0.00 H new ATOM 646 N ASP A 41 13.750 6.463 7.478 1.00 0.00 N ATOM 647 CA ASP A 41 15.135 6.221 6.979 1.00 0.00 C ATOM 648 C ASP A 41 15.147 5.043 6.003 1.00 0.00 C ATOM 649 O ASP A 41 14.820 3.928 6.358 1.00 0.00 O ATOM 650 CB ASP A 41 15.953 5.891 8.227 1.00 0.00 C ATOM 651 CG ASP A 41 17.437 5.823 7.860 1.00 0.00 C ATOM 652 OD1 ASP A 41 17.770 5.075 6.956 1.00 0.00 O ATOM 653 OD2 ASP A 41 18.216 6.520 8.490 1.00 0.00 O ATOM 0 H ASP A 41 13.400 5.769 8.138 1.00 0.00 H new ATOM 0 HA ASP A 41 15.537 7.081 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.791 6.650 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.627 4.940 8.647 1.00 0.00 H new ATOM 658 N GLY A 42 15.524 5.278 4.776 1.00 0.00 N ATOM 659 CA GLY A 42 15.555 4.164 3.786 1.00 0.00 C ATOM 660 C GLY A 42 16.142 4.659 2.466 1.00 0.00 C ATOM 661 O GLY A 42 16.853 3.942 1.789 1.00 0.00 O ATOM 0 H GLY A 42 15.811 6.189 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.152 3.338 4.173 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.547 3.781 3.625 1.00 0.00 H new ATOM 665 N SER A 43 15.859 5.875 2.086 1.00 0.00 N ATOM 666 CA SER A 43 16.416 6.383 0.807 1.00 0.00 C ATOM 667 C SER A 43 16.077 5.380 -0.311 1.00 0.00 C ATOM 668 O SER A 43 15.150 4.609 -0.162 1.00 0.00 O ATOM 669 CB SER A 43 17.910 6.451 1.087 1.00 0.00 C ATOM 670 OG SER A 43 18.473 7.573 0.420 1.00 0.00 O ATOM 0 H SER A 43 15.272 6.531 2.602 1.00 0.00 H new ATOM 0 HA SER A 43 16.023 7.347 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.085 6.528 2.160 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.395 5.535 0.750 1.00 0.00 H new ATOM 0 HG SER A 43 19.445 7.463 0.358 1.00 0.00 H new ATOM 676 N PRO A 44 16.822 5.400 -1.394 1.00 0.00 N ATOM 677 CA PRO A 44 16.544 4.454 -2.496 1.00 0.00 C ATOM 678 C PRO A 44 16.311 3.060 -1.920 1.00 0.00 C ATOM 679 O PRO A 44 17.235 2.308 -1.684 1.00 0.00 O ATOM 680 CB PRO A 44 17.803 4.514 -3.349 1.00 0.00 C ATOM 681 CG PRO A 44 18.365 5.876 -3.097 1.00 0.00 C ATOM 682 CD PRO A 44 17.961 6.268 -1.697 1.00 0.00 C ATOM 0 HA PRO A 44 15.654 4.696 -3.076 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.511 3.735 -3.066 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.574 4.369 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.450 5.870 -3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.981 6.592 -3.824 1.00 0.00 H new ATOM 0 HD2 PRO A 44 18.777 6.116 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.685 7.321 -1.643 1.00 0.00 H new ATOM 690 N CYS A 45 15.076 2.722 -1.677 1.00 0.00 N ATOM 691 CA CYS A 45 14.761 1.391 -1.097 1.00 0.00 C ATOM 692 C CYS A 45 13.331 0.985 -1.474 1.00 0.00 C ATOM 693 O CYS A 45 12.607 1.731 -2.100 1.00 0.00 O ATOM 694 CB CYS A 45 14.953 1.582 0.421 1.00 0.00 C ATOM 695 SG CYS A 45 13.568 0.906 1.385 1.00 0.00 S ATOM 0 H CYS A 45 14.267 3.316 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 45 15.396 0.586 -1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.879 1.097 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.060 2.644 0.640 1.00 0.00 H new ATOM 700 N LYS A 46 12.933 -0.201 -1.112 1.00 0.00 N ATOM 701 CA LYS A 46 11.568 -0.674 -1.467 1.00 0.00 C ATOM 702 C LYS A 46 10.507 -0.152 -0.494 1.00 0.00 C ATOM 703 O LYS A 46 10.804 0.519 0.474 1.00 0.00 O ATOM 704 CB LYS A 46 11.664 -2.194 -1.389 1.00 0.00 C ATOM 705 CG LYS A 46 11.911 -2.768 -2.781 1.00 0.00 C ATOM 706 CD LYS A 46 12.512 -4.169 -2.658 1.00 0.00 C ATOM 707 CE LYS A 46 11.868 -5.095 -3.693 1.00 0.00 C ATOM 708 NZ LYS A 46 12.945 -5.376 -4.681 1.00 0.00 N ATOM 0 H LYS A 46 13.497 -0.866 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 46 11.262 -0.315 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.473 -2.483 -0.718 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.744 -2.605 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.976 -2.810 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.586 -2.119 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.590 -4.128 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.348 -4.559 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.507 -6.014 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.010 -4.619 -4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.579 -6.006 -5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.264 -4.484 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.745 -5.835 -4.201 1.00 0.00 H new ATOM 722 N ILE A 47 9.260 -0.437 -0.776 1.00 0.00 N ATOM 723 CA ILE A 47 8.154 0.059 0.088 1.00 0.00 C ATOM 724 C ILE A 47 7.336 -1.096 0.680 1.00 0.00 C ATOM 725 O ILE A 47 6.862 -1.953 -0.037 1.00 0.00 O ATOM 726 CB ILE A 47 7.292 0.867 -0.873 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.192 1.812 -1.664 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.258 1.673 -0.086 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.732 2.883 -0.725 1.00 0.00 C ATOM 0 H ILE A 47 8.962 -0.997 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 47 8.521 0.632 0.939 1.00 0.00 H new ATOM 0 HB ILE A 47 6.770 0.197 -1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.015 1.258 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.632 2.272 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.643 2.250 -0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.624 0.994 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.769 2.351 0.598 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.377 3.563 -1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.901 3.441 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.305 2.412 0.073 1.00 0.00 H new ATOM 741 N PRO A 48 7.179 -1.058 1.977 1.00 0.00 N ATOM 742 CA PRO A 48 6.385 -2.095 2.691 1.00 0.00 C ATOM 743 C PRO A 48 4.925 -2.060 2.235 1.00 0.00 C ATOM 744 O PRO A 48 4.380 -1.013 1.944 1.00 0.00 O ATOM 745 CB PRO A 48 6.483 -1.674 4.156 1.00 0.00 C ATOM 746 CG PRO A 48 7.680 -0.786 4.219 1.00 0.00 C ATOM 747 CD PRO A 48 7.724 -0.068 2.904 1.00 0.00 C ATOM 0 HA PRO A 48 6.747 -3.106 2.507 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.584 -1.149 4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.598 -2.539 4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.601 -0.081 5.047 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.589 -1.366 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.126 0.843 2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.740 0.222 2.635 1.00 0.00 H new ATOM 755 N PHE A 49 4.289 -3.194 2.169 1.00 0.00 N ATOM 756 CA PHE A 49 2.872 -3.232 1.733 1.00 0.00 C ATOM 757 C PHE A 49 2.175 -4.459 2.319 1.00 0.00 C ATOM 758 O PHE A 49 2.814 -5.401 2.746 1.00 0.00 O ATOM 759 CB PHE A 49 2.957 -3.359 0.224 1.00 0.00 C ATOM 760 CG PHE A 49 1.736 -2.733 -0.409 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.569 -3.487 -0.587 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.769 -1.394 -0.818 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.561 -2.901 -1.171 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.640 -0.810 -1.402 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.525 -1.563 -1.578 1.00 0.00 C ATOM 0 H PHE A 49 4.694 -4.101 2.400 1.00 0.00 H new ATOM 0 HA PHE A 49 2.308 -2.357 2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.860 -2.869 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.027 -4.409 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.541 -4.520 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.668 -0.811 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.461 -3.482 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.668 0.223 -1.717 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.397 -1.112 -2.028 1.00 0.00 H new ATOM 775 N GLU A 50 0.872 -4.466 2.332 1.00 0.00 N ATOM 776 CA GLU A 50 0.145 -5.643 2.882 1.00 0.00 C ATOM 777 C GLU A 50 -1.367 -5.425 2.770 1.00 0.00 C ATOM 778 O GLU A 50 -1.972 -4.766 3.588 1.00 0.00 O ATOM 779 CB GLU A 50 0.583 -5.730 4.344 1.00 0.00 C ATOM 780 CG GLU A 50 -0.192 -6.845 5.045 1.00 0.00 C ATOM 781 CD GLU A 50 0.481 -8.188 4.754 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.650 -8.325 5.075 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.185 -9.058 4.216 1.00 0.00 O ATOM 0 H GLU A 50 0.280 -3.710 1.987 1.00 0.00 H new ATOM 0 HA GLU A 50 0.368 -6.563 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.654 -5.925 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.405 -4.779 4.845 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.220 -6.664 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.225 -6.860 4.697 1.00 0.00 H new ATOM 790 N ILE A 51 -1.980 -5.970 1.755 1.00 0.00 N ATOM 791 CA ILE A 51 -3.450 -5.786 1.589 1.00 0.00 C ATOM 792 C ILE A 51 -4.219 -6.711 2.538 1.00 0.00 C ATOM 793 O ILE A 51 -5.430 -6.795 2.492 1.00 0.00 O ATOM 794 CB ILE A 51 -3.727 -6.148 0.130 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.845 -5.284 -0.775 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.199 -5.884 -0.193 1.00 0.00 C ATOM 797 CD1 ILE A 51 -3.273 -5.454 -2.235 1.00 0.00 C ATOM 0 H ILE A 51 -1.528 -6.533 1.035 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.769 -4.771 1.825 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.505 -7.202 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.925 -4.237 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.799 -5.569 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.395 -6.142 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.829 -6.492 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.423 -4.829 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.641 -4.836 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.170 -6.500 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.313 -5.147 -2.347 1.00 0.00 H new ATOM 970 N GLY A 61 -5.236 -10.408 -1.441 1.00 0.00 N ATOM 971 CA GLY A 61 -4.995 -9.365 -2.478 1.00 0.00 C ATOM 972 C GLY A 61 -3.634 -9.603 -3.134 1.00 0.00 C ATOM 973 O GLY A 61 -2.921 -10.523 -2.788 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.783 -9.396 -3.230 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.024 -8.374 -2.026 1.00 0.00 H new ATOM 977 N ARG A 62 -3.267 -8.782 -4.080 1.00 0.00 N ATOM 978 CA ARG A 62 -1.950 -8.967 -4.756 1.00 0.00 C ATOM 979 C ARG A 62 -1.261 -7.626 -4.951 1.00 0.00 C ATOM 980 O ARG A 62 -1.851 -6.576 -4.794 1.00 0.00 O ATOM 981 CB ARG A 62 -2.279 -9.577 -6.116 1.00 0.00 C ATOM 982 CG ARG A 62 -1.423 -10.825 -6.325 1.00 0.00 C ATOM 983 CD ARG A 62 -0.289 -10.508 -7.303 1.00 0.00 C ATOM 984 NE ARG A 62 -0.702 -11.133 -8.591 1.00 0.00 N ATOM 985 CZ ARG A 62 0.110 -11.124 -9.614 1.00 0.00 C ATOM 986 NH1 ARG A 62 1.287 -10.567 -9.514 1.00 0.00 N ATOM 987 NH2 ARG A 62 -0.256 -11.671 -10.741 1.00 0.00 N ATOM 0 H ARG A 62 -3.820 -7.993 -4.414 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.281 -9.596 -4.169 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.337 -9.834 -6.167 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.088 -8.853 -6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.013 -11.161 -5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.036 -11.638 -6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.152 -9.432 -7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.659 -10.916 -6.953 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.621 -11.569 -8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.575 -10.137 -8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.919 -10.562 -10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.175 -12.105 -10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.377 -11.664 -11.540 1.00 0.00 H new ATOM 1001 N LEU A 63 -0.014 -7.658 -5.311 1.00 0.00 N ATOM 1002 CA LEU A 63 0.721 -6.397 -5.539 1.00 0.00 C ATOM 1003 C LEU A 63 1.273 -6.385 -6.963 1.00 0.00 C ATOM 1004 O LEU A 63 2.025 -7.255 -7.353 1.00 0.00 O ATOM 1005 CB LEU A 63 1.853 -6.404 -4.507 1.00 0.00 C ATOM 1006 CG LEU A 63 2.077 -4.988 -3.983 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.248 -4.038 -5.164 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.869 -4.558 -3.151 1.00 0.00 C ATOM 0 H LEU A 63 0.528 -8.509 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 63 0.094 -5.512 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.603 -7.072 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.769 -6.784 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 63 2.972 -4.962 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.408 -3.025 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.107 -4.348 -5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.351 -4.061 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.027 -3.547 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.027 -4.579 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.744 -5.241 -2.311 1.00 0.00 H new ATOM 1020 N ILE A 64 0.926 -5.401 -7.741 1.00 0.00 N ATOM 1021 CA ILE A 64 1.461 -5.336 -9.127 1.00 0.00 C ATOM 1022 C ILE A 64 2.809 -4.645 -9.039 1.00 0.00 C ATOM 1023 O ILE A 64 3.731 -4.911 -9.783 1.00 0.00 O ATOM 1024 CB ILE A 64 0.459 -4.492 -9.912 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.759 -5.347 -10.276 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.119 -3.977 -11.192 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.302 -6.034 -9.022 1.00 0.00 C ATOM 0 H ILE A 64 0.298 -4.642 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 64 1.589 -6.307 -9.606 1.00 0.00 H new ATOM 0 HB ILE A 64 0.140 -3.648 -9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.532 -4.723 -10.724 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.482 -6.094 -11.020 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.404 -3.375 -11.753 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.985 -3.367 -10.935 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.439 -4.822 -11.802 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.168 -6.641 -9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.529 -6.672 -8.593 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.596 -5.280 -8.292 1.00 0.00 H new ATOM 1039 N THR A 65 2.908 -3.775 -8.084 1.00 0.00 N ATOM 1040 CA THR A 65 4.161 -3.039 -7.832 1.00 0.00 C ATOM 1041 C THR A 65 4.774 -3.598 -6.542 1.00 0.00 C ATOM 1042 O THR A 65 5.225 -2.875 -5.679 1.00 0.00 O ATOM 1043 CB THR A 65 3.686 -1.596 -7.661 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.417 -1.035 -8.938 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.747 -0.767 -6.956 1.00 0.00 C ATOM 0 H THR A 65 2.146 -3.538 -7.449 1.00 0.00 H new ATOM 0 HA THR A 65 4.919 -3.119 -8.611 1.00 0.00 H new ATOM 0 HB THR A 65 2.779 -1.592 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.111 -0.110 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.392 0.257 -6.843 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.947 -1.193 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.663 -0.770 -7.546 1.00 0.00 H new ATOM 1053 N VAL A 66 4.750 -4.903 -6.409 1.00 0.00 N ATOM 1054 CA VAL A 66 5.285 -5.571 -5.181 1.00 0.00 C ATOM 1055 C VAL A 66 6.420 -4.767 -4.557 1.00 0.00 C ATOM 1056 O VAL A 66 7.437 -4.519 -5.172 1.00 0.00 O ATOM 1057 CB VAL A 66 5.796 -6.934 -5.648 1.00 0.00 C ATOM 1058 CG1 VAL A 66 6.744 -7.523 -4.598 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.611 -7.882 -5.844 1.00 0.00 C ATOM 0 H VAL A 66 4.377 -5.542 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 66 4.514 -5.659 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 66 6.331 -6.811 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.104 -8.494 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.591 -6.852 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.212 -7.643 -3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.974 -8.854 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.078 -7.998 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.936 -7.470 -6.594 1.00 0.00 H new ATOM 1069 N ASN A 67 6.251 -4.378 -3.331 1.00 0.00 N ATOM 1070 CA ASN A 67 7.316 -3.608 -2.646 1.00 0.00 C ATOM 1071 C ASN A 67 7.896 -2.541 -3.580 1.00 0.00 C ATOM 1072 O ASN A 67 9.014 -2.661 -4.039 1.00 0.00 O ATOM 1073 CB ASN A 67 8.370 -4.659 -2.298 1.00 0.00 C ATOM 1074 CG ASN A 67 9.114 -4.240 -1.030 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.763 -3.261 -0.401 1.00 0.00 O ATOM 1076 ND2 ASN A 67 10.134 -4.945 -0.624 1.00 0.00 N ATOM 0 H ASN A 67 5.418 -4.561 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 67 6.952 -3.076 -1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.895 -5.629 -2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.073 -4.771 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.637 -4.675 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.429 -5.767 -1.152 1.00 0.00 H new ATOM 1083 N PRO A 68 7.113 -1.522 -3.823 1.00 0.00 N ATOM 1084 CA PRO A 68 7.568 -0.421 -4.702 1.00 0.00 C ATOM 1085 C PRO A 68 8.876 0.143 -4.154 1.00 0.00 C ATOM 1086 O PRO A 68 9.450 -0.417 -3.247 1.00 0.00 O ATOM 1087 CB PRO A 68 6.448 0.618 -4.644 1.00 0.00 C ATOM 1088 CG PRO A 68 5.436 0.117 -3.654 1.00 0.00 C ATOM 1089 CD PRO A 68 5.763 -1.313 -3.307 1.00 0.00 C ATOM 0 HA PRO A 68 7.757 -0.737 -5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.838 1.589 -4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.994 0.751 -5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.448 0.735 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.432 0.184 -4.074 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.721 -1.479 -2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.054 -2.003 -3.764 1.00 0.00 H new ATOM 1097 N ILE A 69 9.364 1.231 -4.693 1.00 0.00 N ATOM 1098 CA ILE A 69 10.651 1.781 -4.176 1.00 0.00 C ATOM 1099 C ILE A 69 10.669 3.310 -4.174 1.00 0.00 C ATOM 1100 O ILE A 69 10.125 3.956 -5.048 1.00 0.00 O ATOM 1101 CB ILE A 69 11.723 1.289 -5.152 1.00 0.00 C ATOM 1102 CG1 ILE A 69 11.821 -0.249 -5.101 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.070 1.932 -4.780 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.282 -0.693 -4.925 1.00 0.00 C ATOM 0 H ILE A 69 8.935 1.754 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 69 10.809 1.457 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 69 11.457 1.577 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.218 -0.630 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.414 -0.675 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.840 1.588 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.985 3.017 -4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.340 1.648 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.330 -1.781 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.876 -0.329 -5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.677 -0.283 -3.995 1.00 0.00 H new ATOM 1116 N VAL A 70 11.363 3.883 -3.229 1.00 0.00 N ATOM 1117 CA VAL A 70 11.507 5.371 -3.193 1.00 0.00 C ATOM 1118 C VAL A 70 12.920 5.700 -3.671 1.00 0.00 C ATOM 1119 O VAL A 70 13.762 4.827 -3.737 1.00 0.00 O ATOM 1120 CB VAL A 70 11.320 5.794 -1.734 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.402 7.318 -1.622 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.946 5.336 -1.251 1.00 0.00 C ATOM 0 H VAL A 70 11.839 3.385 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 70 10.783 5.887 -3.824 1.00 0.00 H new ATOM 0 HB VAL A 70 12.102 5.341 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.268 7.614 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.377 7.657 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.620 7.770 -2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.807 5.635 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.172 5.795 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.876 4.251 -1.329 1.00 0.00 H new ATOM 1132 N THR A 71 13.198 6.924 -4.017 1.00 0.00 N ATOM 1133 CA THR A 71 14.573 7.242 -4.500 1.00 0.00 C ATOM 1134 C THR A 71 15.260 8.269 -3.599 1.00 0.00 C ATOM 1135 O THR A 71 16.467 8.402 -3.616 1.00 0.00 O ATOM 1136 CB THR A 71 14.383 7.809 -5.906 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.414 7.036 -6.601 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.716 7.755 -6.654 1.00 0.00 C ATOM 0 H THR A 71 12.546 7.708 -3.988 1.00 0.00 H new ATOM 0 HA THR A 71 15.210 6.357 -4.492 1.00 0.00 H new ATOM 0 HB THR A 71 14.042 8.842 -5.843 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.290 7.400 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.586 8.158 -7.658 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.458 8.347 -6.118 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.055 6.721 -6.719 1.00 0.00 H new ATOM 1146 N GLU A 72 14.519 9.006 -2.820 1.00 0.00 N ATOM 1147 CA GLU A 72 15.178 10.017 -1.945 1.00 0.00 C ATOM 1148 C GLU A 72 14.525 10.070 -0.566 1.00 0.00 C ATOM 1149 O GLU A 72 14.679 11.030 0.162 1.00 0.00 O ATOM 1150 CB GLU A 72 14.993 11.347 -2.671 1.00 0.00 C ATOM 1151 CG GLU A 72 15.546 11.235 -4.092 1.00 0.00 C ATOM 1152 CD GLU A 72 15.839 12.633 -4.640 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.508 13.388 -3.953 1.00 0.00 O ATOM 1154 OE2 GLU A 72 15.391 12.924 -5.736 1.00 0.00 O ATOM 0 H GLU A 72 13.503 8.955 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 72 16.227 9.776 -1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.936 11.613 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.507 12.142 -2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.456 10.635 -4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.827 10.725 -4.734 1.00 0.00 H new ATOM 1161 N LYS A 73 13.799 9.050 -0.197 1.00 0.00 N ATOM 1162 CA LYS A 73 13.137 9.044 1.143 1.00 0.00 C ATOM 1163 C LYS A 73 11.956 10.016 1.174 1.00 0.00 C ATOM 1164 O LYS A 73 11.223 10.070 2.136 1.00 0.00 O ATOM 1165 CB LYS A 73 14.219 9.479 2.134 1.00 0.00 C ATOM 1166 CG LYS A 73 13.963 8.826 3.493 1.00 0.00 C ATOM 1167 CD LYS A 73 15.131 9.136 4.432 1.00 0.00 C ATOM 1168 CE LYS A 73 14.792 10.363 5.282 1.00 0.00 C ATOM 1169 NZ LYS A 73 15.569 10.184 6.540 1.00 0.00 N ATOM 0 H LYS A 73 13.634 8.219 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 73 12.735 8.061 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.203 9.194 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.219 10.564 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.031 9.198 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.852 7.748 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.331 8.279 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.037 9.320 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.071 11.286 4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.722 10.421 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.512 11.052 7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.175 9.388 7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.564 9.987 6.309 1.00 0.00 H new ATOM 1183 N ASP A 74 11.766 10.788 0.141 1.00 0.00 N ATOM 1184 CA ASP A 74 10.630 11.746 0.136 1.00 0.00 C ATOM 1185 C ASP A 74 9.946 11.753 -1.234 1.00 0.00 C ATOM 1186 O ASP A 74 8.959 12.431 -1.438 1.00 0.00 O ATOM 1187 CB ASP A 74 11.269 13.100 0.424 1.00 0.00 C ATOM 1188 CG ASP A 74 10.218 14.054 0.994 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.299 13.574 1.638 1.00 0.00 O ATOM 1190 OD2 ASP A 74 10.349 15.247 0.776 1.00 0.00 O ATOM 0 H ASP A 74 12.347 10.796 -0.697 1.00 0.00 H new ATOM 0 HA ASP A 74 9.863 11.488 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.090 12.983 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.693 13.515 -0.490 1.00 0.00 H new ATOM 1195 N SER A 75 10.450 10.997 -2.172 1.00 0.00 N ATOM 1196 CA SER A 75 9.811 10.962 -3.515 1.00 0.00 C ATOM 1197 C SER A 75 8.498 10.189 -3.419 1.00 0.00 C ATOM 1198 O SER A 75 8.497 8.999 -3.174 1.00 0.00 O ATOM 1199 CB SER A 75 10.810 10.226 -4.408 1.00 0.00 C ATOM 1200 OG SER A 75 10.427 10.383 -5.769 1.00 0.00 O ATOM 0 H SER A 75 11.274 10.405 -2.065 1.00 0.00 H new ATOM 0 HA SER A 75 9.582 11.953 -3.907 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.814 10.621 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.839 9.168 -4.146 1.00 0.00 H new ATOM 0 HG SER A 75 11.066 9.914 -6.345 1.00 0.00 H new ATOM 1206 N PRO A 76 7.417 10.896 -3.595 1.00 0.00 N ATOM 1207 CA PRO A 76 6.086 10.263 -3.504 1.00 0.00 C ATOM 1208 C PRO A 76 6.060 8.972 -4.330 1.00 0.00 C ATOM 1209 O PRO A 76 6.427 8.962 -5.489 1.00 0.00 O ATOM 1210 CB PRO A 76 5.141 11.309 -4.086 1.00 0.00 C ATOM 1211 CG PRO A 76 5.854 12.617 -3.929 1.00 0.00 C ATOM 1212 CD PRO A 76 7.335 12.329 -3.899 1.00 0.00 C ATOM 0 HA PRO A 76 5.812 9.981 -2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.924 11.103 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.188 11.315 -3.558 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.611 13.287 -4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.542 13.115 -3.011 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.805 12.561 -4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.842 12.927 -3.141 1.00 0.00 H new ATOM 1220 N VAL A 77 5.642 7.880 -3.746 1.00 0.00 N ATOM 1221 CA VAL A 77 5.614 6.597 -4.512 1.00 0.00 C ATOM 1222 C VAL A 77 4.182 6.086 -4.701 1.00 0.00 C ATOM 1223 O VAL A 77 3.351 6.187 -3.821 1.00 0.00 O ATOM 1224 CB VAL A 77 6.419 5.616 -3.676 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.436 4.265 -4.385 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.848 6.133 -3.540 1.00 0.00 C ATOM 0 H VAL A 77 5.321 7.819 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 77 6.026 6.726 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 77 5.973 5.510 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.011 3.552 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.415 3.901 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.894 4.376 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.432 5.434 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.297 6.227 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.837 7.108 -3.053 1.00 0.00 H new ATOM 1236 N ASN A 78 3.898 5.523 -5.847 1.00 0.00 N ATOM 1237 CA ASN A 78 2.533 4.981 -6.111 1.00 0.00 C ATOM 1238 C ASN A 78 2.571 3.450 -6.031 1.00 0.00 C ATOM 1239 O ASN A 78 3.452 2.833 -6.595 1.00 0.00 O ATOM 1240 CB ASN A 78 2.212 5.423 -7.538 1.00 0.00 C ATOM 1241 CG ASN A 78 2.460 6.926 -7.679 1.00 0.00 C ATOM 1242 OD1 ASN A 78 2.956 7.562 -6.770 1.00 0.00 O ATOM 1243 ND2 ASN A 78 2.130 7.525 -8.790 1.00 0.00 N ATOM 0 H ASN A 78 4.559 5.415 -6.616 1.00 0.00 H new ATOM 0 HA ASN A 78 1.791 5.333 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.831 4.874 -8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.174 5.192 -7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.288 8.527 -8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.714 6.991 -9.553 1.00 0.00 H new ATOM 1250 N ILE A 79 1.649 2.807 -5.349 1.00 0.00 N ATOM 1251 CA ILE A 79 1.734 1.317 -5.303 1.00 0.00 C ATOM 1252 C ILE A 79 0.513 0.664 -5.950 1.00 0.00 C ATOM 1253 O ILE A 79 -0.612 0.848 -5.531 1.00 0.00 O ATOM 1254 CB ILE A 79 1.837 0.942 -3.828 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.907 1.820 -3.161 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.229 -0.536 -3.737 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.278 1.252 -1.787 1.00 0.00 C ATOM 0 H ILE A 79 0.872 3.232 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 79 2.598 0.961 -5.865 1.00 0.00 H new ATOM 0 HB ILE A 79 0.886 1.101 -3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.793 1.869 -3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.536 2.839 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.309 -0.827 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.469 -1.145 -4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.189 -0.689 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.037 1.883 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.392 1.226 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.669 0.241 -1.905 1.00 0.00 H new ATOM 1269 N GLU A 80 0.753 -0.104 -6.974 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.353 -0.802 -7.688 1.00 0.00 C ATOM 1271 C GLU A 80 -0.572 -2.198 -7.091 1.00 0.00 C ATOM 1272 O GLU A 80 0.291 -3.050 -7.158 1.00 0.00 O ATOM 1273 CB GLU A 80 0.136 -0.911 -9.133 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.932 -1.600 -9.981 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.539 -0.591 -10.956 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.253 0.586 -10.813 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.277 -1.014 -11.830 1.00 0.00 O ATOM 0 H GLU A 80 1.683 -0.281 -7.353 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.302 -0.272 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.349 0.081 -9.532 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.067 -1.476 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.494 -2.434 -10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.709 -2.014 -9.339 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.718 -2.444 -6.508 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.972 -3.790 -5.912 1.00 0.00 C ATOM 1286 C ALA A 81 -3.334 -4.330 -6.352 1.00 0.00 C ATOM 1287 O ALA A 81 -4.246 -3.582 -6.636 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.940 -3.572 -4.396 1.00 0.00 C ATOM 0 H ALA A 81 -2.484 -1.776 -6.419 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.231 -4.522 -6.233 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.119 -4.520 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.964 -3.183 -4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.714 -2.858 -4.115 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.477 -5.627 -6.415 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.778 -6.215 -6.839 1.00 0.00 C ATOM 1296 C GLU A 82 -5.570 -6.689 -5.615 1.00 0.00 C ATOM 1297 O GLU A 82 -5.276 -7.722 -5.046 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.399 -7.399 -7.726 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.649 -8.214 -8.057 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.251 -9.469 -8.837 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.628 -10.336 -8.247 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.576 -9.540 -10.010 1.00 0.00 O ATOM 0 H GLU A 82 -2.748 -6.304 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.409 -5.496 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.931 -7.043 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.667 -8.027 -7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.167 -8.493 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.343 -7.613 -8.645 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.550 -5.907 -5.250 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.399 -6.240 -4.078 1.00 0.00 C ATOM 1311 C PRO A 83 -8.352 -7.393 -4.411 1.00 0.00 C ATOM 1312 O PRO A 83 -8.819 -7.510 -5.526 1.00 0.00 O ATOM 1313 CB PRO A 83 -8.180 -4.954 -3.825 1.00 0.00 C ATOM 1314 CG PRO A 83 -8.197 -4.241 -5.140 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.955 -4.651 -5.889 1.00 0.00 C ATOM 0 HA PRO A 83 -6.821 -6.564 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.192 -5.169 -3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.703 -4.348 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.091 -4.502 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.217 -3.161 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.158 -4.791 -6.951 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.174 -3.894 -5.811 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.609 -8.202 -3.421 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.520 -9.358 -3.598 1.00 0.00 C ATOM 1325 C PRO A 84 -10.977 -8.885 -3.631 1.00 0.00 C ATOM 1326 O PRO A 84 -11.258 -7.728 -3.874 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.259 -10.214 -2.363 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.734 -9.265 -1.330 1.00 0.00 C ATOM 1329 CD PRO A 84 -8.078 -8.118 -2.057 1.00 0.00 C ATOM 0 HA PRO A 84 -9.350 -9.899 -4.529 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.172 -10.701 -2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.537 -11.003 -2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.543 -8.904 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.018 -9.766 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.322 -7.162 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.992 -8.210 -2.047 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.199 -3.760 2.958 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.454 -2.574 3.468 1.00 0.00 C ATOM 1389 C TYR A 89 -5.985 -2.656 3.046 1.00 0.00 C ATOM 1390 O TYR A 89 -5.228 -3.462 3.551 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.574 -2.646 4.990 1.00 0.00 C ATOM 1392 CG TYR A 89 -9.007 -2.929 5.372 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.525 -4.224 5.241 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.820 -1.897 5.859 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.853 -4.486 5.597 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -11.147 -2.160 6.214 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.664 -3.454 6.083 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.974 -3.712 6.435 1.00 0.00 O ATOM 0 HA TYR A 89 -7.852 -1.639 3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.922 -3.428 5.380 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.247 -1.707 5.436 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.900 -5.020 4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.422 -0.898 5.960 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.252 -5.485 5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.773 -1.364 6.589 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.396 -2.887 6.754 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.574 -1.827 2.128 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.154 -1.859 1.680 1.00 0.00 C ATOM 1410 C ILE A 90 -3.257 -1.238 2.754 1.00 0.00 C ATOM 1411 O ILE A 90 -3.430 -0.098 3.136 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.122 -1.022 0.398 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.657 -1.857 -0.767 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.685 -0.592 0.096 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.145 -1.560 -0.967 1.00 0.00 C ATOM 0 H ILE A 90 -6.159 -1.129 1.669 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.793 -2.873 1.508 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.743 -0.136 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.104 -1.627 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.511 -2.918 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.668 0.003 -0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.302 0.003 0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.061 -1.476 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.526 -2.155 -1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.692 -1.812 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.278 -0.501 -1.188 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.300 -1.977 3.245 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.400 -1.419 4.292 1.00 0.00 C ATOM 1429 C ILE A 91 -0.069 -0.993 3.667 1.00 0.00 C ATOM 1430 O ILE A 91 0.409 -1.599 2.727 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.195 -2.554 5.293 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.505 -2.808 6.048 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.106 -2.156 6.286 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.896 -4.284 5.928 1.00 0.00 C ATOM 0 H ILE A 91 -2.103 -2.939 2.968 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.820 -0.535 4.772 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.897 -3.460 4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.389 -2.537 7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.297 -2.178 5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.045 -2.963 7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.824 -1.969 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.408 -1.252 6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.828 -4.459 6.466 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.031 -4.540 4.877 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.108 -4.905 6.355 1.00 0.00 H new ATOM 1446 N ILE A 92 0.523 0.053 4.175 1.00 0.00 N ATOM 1447 CA ILE A 92 1.815 0.535 3.604 1.00 0.00 C ATOM 1448 C ILE A 92 2.826 0.805 4.725 1.00 0.00 C ATOM 1449 O ILE A 92 2.467 1.229 5.803 1.00 0.00 O ATOM 1450 CB ILE A 92 1.439 1.841 2.887 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.052 1.537 1.440 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.617 2.819 2.898 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.428 2.786 0.816 1.00 0.00 C ATOM 0 H ILE A 92 0.168 0.596 4.962 1.00 0.00 H new ATOM 0 HA ILE A 92 2.280 -0.190 2.937 1.00 0.00 H new ATOM 0 HB ILE A 92 0.597 2.295 3.410 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.931 1.232 0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.346 0.707 1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.332 3.738 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.890 3.048 3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.469 2.369 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.149 2.576 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.460 3.070 1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.149 3.603 0.839 1.00 0.00 H new ATOM 1465 N GLY A 93 4.087 0.575 4.482 1.00 0.00 N ATOM 1466 CA GLY A 93 5.090 0.843 5.543 1.00 0.00 C ATOM 1467 C GLY A 93 5.074 -0.301 6.547 1.00 0.00 C ATOM 1468 O GLY A 93 4.599 -1.383 6.264 1.00 0.00 O ATOM 0 H GLY A 93 4.461 0.217 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.083 0.944 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.865 1.785 6.043 1.00 0.00 H new ATOM 1472 N VAL A 94 5.591 -0.079 7.717 1.00 0.00 N ATOM 1473 CA VAL A 94 5.606 -1.170 8.730 1.00 0.00 C ATOM 1474 C VAL A 94 4.919 -0.723 10.023 1.00 0.00 C ATOM 1475 O VAL A 94 5.058 0.405 10.451 1.00 0.00 O ATOM 1476 CB VAL A 94 7.087 -1.478 8.969 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.533 -2.542 7.963 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.929 -0.211 8.771 1.00 0.00 C ATOM 0 H VAL A 94 6.003 0.804 8.018 1.00 0.00 H new ATOM 0 HA VAL A 94 5.063 -2.051 8.388 1.00 0.00 H new ATOM 0 HB VAL A 94 7.224 -1.837 9.989 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.587 -2.773 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.939 -3.445 8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.391 -2.167 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.980 -0.442 8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.800 0.156 7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.605 0.555 9.476 1.00 0.00 H new ATOM 1488 N GLU A 95 4.175 -1.624 10.627 1.00 0.00 N ATOM 1489 CA GLU A 95 3.435 -1.333 11.905 1.00 0.00 C ATOM 1490 C GLU A 95 3.955 -0.075 12.607 1.00 0.00 C ATOM 1491 O GLU A 95 3.206 0.857 12.824 1.00 0.00 O ATOM 1492 CB GLU A 95 3.678 -2.563 12.780 1.00 0.00 C ATOM 1493 CG GLU A 95 2.463 -3.489 12.708 1.00 0.00 C ATOM 1494 CD GLU A 95 2.932 -4.936 12.537 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.653 -5.410 13.399 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.563 -5.543 11.546 1.00 0.00 O ATOM 0 H GLU A 95 4.046 -2.574 10.279 1.00 0.00 H new ATOM 0 HA GLU A 95 2.379 -1.145 11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.571 -3.090 12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.856 -2.259 13.811 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.866 -3.394 13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.823 -3.202 11.874 1.00 0.00 H new ATOM 1503 N PRO A 96 5.222 -0.089 12.938 1.00 0.00 N ATOM 1504 CA PRO A 96 5.857 1.061 13.615 1.00 0.00 C ATOM 1505 C PRO A 96 5.219 2.382 13.167 1.00 0.00 C ATOM 1506 O PRO A 96 5.120 3.324 13.927 1.00 0.00 O ATOM 1507 CB PRO A 96 7.317 0.966 13.163 1.00 0.00 C ATOM 1508 CG PRO A 96 7.508 -0.432 12.633 1.00 0.00 C ATOM 1509 CD PRO A 96 6.189 -1.161 12.726 1.00 0.00 C ATOM 0 HA PRO A 96 5.745 1.039 14.699 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.534 1.706 12.393 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.994 1.162 13.994 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.853 -0.402 11.599 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.272 -0.955 13.209 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.975 -1.721 11.816 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.183 -1.876 13.549 1.00 0.00 H new ATOM 1517 N GLY A 97 4.777 2.452 11.941 1.00 0.00 N ATOM 1518 CA GLY A 97 4.136 3.702 11.444 1.00 0.00 C ATOM 1519 C GLY A 97 3.624 3.459 10.024 1.00 0.00 C ATOM 1520 O GLY A 97 3.668 4.325 9.173 1.00 0.00 O ATOM 0 H GLY A 97 4.833 1.695 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.313 3.991 12.098 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.853 4.523 11.452 1.00 0.00 H new ATOM 1524 N GLN A 98 3.149 2.274 9.770 1.00 0.00 N ATOM 1525 CA GLN A 98 2.640 1.929 8.412 1.00 0.00 C ATOM 1526 C GLN A 98 1.309 2.648 8.130 1.00 0.00 C ATOM 1527 O GLN A 98 0.658 3.148 9.025 1.00 0.00 O ATOM 1528 CB GLN A 98 2.480 0.393 8.469 1.00 0.00 C ATOM 1529 CG GLN A 98 1.020 -0.038 8.267 1.00 0.00 C ATOM 1530 CD GLN A 98 0.828 -1.445 8.837 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.256 -1.802 9.251 1.00 0.00 O ATOM 1532 NE2 GLN A 98 1.843 -2.264 8.875 1.00 0.00 N ATOM 0 H GLN A 98 3.090 1.519 10.453 1.00 0.00 H new ATOM 0 HA GLN A 98 3.302 2.241 7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.104 -0.066 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.837 0.026 9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.349 0.663 8.763 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.768 -0.024 7.207 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.754 -1.964 8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.726 -3.204 9.253 1.00 0.00 H new ATOM 1541 N LEU A 99 0.904 2.689 6.887 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.381 3.358 6.536 1.00 0.00 C ATOM 1543 C LEU A 99 -1.481 2.312 6.331 1.00 0.00 C ATOM 1544 O LEU A 99 -1.239 1.122 6.398 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.098 4.092 5.226 1.00 0.00 C ATOM 1546 CG LEU A 99 0.265 5.547 5.518 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.739 6.218 4.229 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.966 6.283 6.052 1.00 0.00 C ATOM 0 H LEU A 99 1.411 2.286 6.099 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.722 4.034 7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.718 3.604 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.973 4.049 4.577 1.00 0.00 H new ATOM 0 HG LEU A 99 1.060 5.582 6.263 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.999 7.257 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.615 5.693 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.058 6.183 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.707 7.321 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.761 6.250 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.307 5.803 6.969 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.685 2.746 6.077 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.801 1.778 5.864 1.00 0.00 C ATOM 1562 C LYS A 100 -4.898 2.414 5.005 1.00 0.00 C ATOM 1563 O LYS A 100 -5.281 3.549 5.211 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.328 1.470 7.262 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.149 -0.021 7.558 1.00 0.00 C ATOM 1566 CD LYS A 100 -3.733 -0.206 9.017 1.00 0.00 C ATOM 1567 CE LYS A 100 -4.972 -0.147 9.914 1.00 0.00 C ATOM 1568 NZ LYS A 100 -5.806 -1.308 9.494 1.00 0.00 N ATOM 0 H LYS A 100 -2.946 3.730 6.007 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.473 0.878 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.794 2.065 8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.381 1.742 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.079 -0.555 7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.393 -0.446 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.225 -1.162 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.025 0.571 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.701 -0.216 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.509 0.793 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.280 -1.714 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.521 -0.992 8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.200 -2.030 9.055 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.405 1.692 4.043 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.476 2.258 3.172 1.00 0.00 C ATOM 1584 C LEU A 101 -7.510 1.180 2.836 1.00 0.00 C ATOM 1585 O LEU A 101 -7.187 0.142 2.294 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.754 2.720 1.907 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.509 3.521 2.292 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.308 2.581 2.395 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.236 4.581 1.222 1.00 0.00 C ATOM 0 H LEU A 101 -5.125 0.736 3.822 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.014 3.073 3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.472 1.859 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.420 3.333 1.299 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.672 4.007 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.421 3.152 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.502 1.825 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.143 2.095 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.349 5.153 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.072 4.094 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.092 5.252 1.148 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.755 1.418 3.153 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.809 0.407 2.850 1.00 0.00 C ATOM 1603 C ASN A 102 -10.325 0.592 1.421 1.00 0.00 C ATOM 1604 O ASN A 102 -10.653 1.686 1.006 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.921 0.679 3.864 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.497 2.077 3.626 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -10.914 3.063 4.030 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.625 2.204 2.983 1.00 0.00 N ATOM 0 H ASN A 102 -9.087 2.268 3.608 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.435 -0.614 2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.706 -0.071 3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.529 0.603 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.017 3.131 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.115 1.376 2.644 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.400 -0.468 0.664 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.895 -0.349 -0.737 1.00 0.00 C ATOM 1617 C TRP A 103 -11.767 -1.555 -1.097 1.00 0.00 C ATOM 1618 O TRP A 103 -11.829 -2.527 -0.370 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.633 -0.322 -1.602 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.978 0.168 -2.971 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.176 -0.620 -4.053 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.169 1.540 -3.424 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.476 0.180 -5.140 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.484 1.519 -4.804 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.100 2.788 -2.780 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.721 2.694 -5.518 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.338 3.973 -3.496 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.649 3.926 -4.862 1.00 0.00 C ATOM 0 H TRP A 103 -10.140 -1.411 0.954 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.509 0.540 -0.883 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.883 0.327 -1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.198 -1.320 -1.660 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.110 -1.698 -4.065 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.668 -0.176 -6.076 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.862 2.836 -1.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.959 2.652 -6.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.281 4.926 -2.991 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.833 4.840 -5.407 1.00 0.00 H new