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 -38:sc= 1.04 USER MOD Set 1.2: A 31 THR OG1 : rot 82:sc= 0.686! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.155 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : 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= -8.11! C(o=-8.1!,f=-7.8!) USER MOD Single : A 38 TYR OH : rot -174:sc= 1.19 USER MOD Single : A 43 SER OG : rot 180:sc= -3.58! USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.651 (180deg=-2.06!) USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0597 USER MOD Single : A 67 ASN : amide:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0.888 (180deg=0.532!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.02! C(o=-2!,f=-6.9!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -6.93! C(o=-8.1!,f=-6.9!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0.103 X(o=0.1,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.353 0.443 2.442 1.00 0.00 N ATOM 216 CA CYS A 14 11.892 1.643 3.194 1.00 0.00 C ATOM 217 C CYS A 14 11.073 1.187 4.409 1.00 0.00 C ATOM 218 O CYS A 14 9.858 1.165 4.377 1.00 0.00 O ATOM 219 CB CYS A 14 11.014 2.414 2.204 1.00 0.00 C ATOM 220 SG CYS A 14 11.928 2.724 0.666 1.00 0.00 S ATOM 0 HA CYS A 14 12.712 2.259 3.564 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.109 1.845 1.990 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.699 3.360 2.646 1.00 0.00 H new ATOM 225 N THR A 15 11.731 0.796 5.467 1.00 0.00 N ATOM 226 CA THR A 15 10.998 0.309 6.673 1.00 0.00 C ATOM 227 C THR A 15 10.540 1.469 7.563 1.00 0.00 C ATOM 228 O THR A 15 9.857 1.265 8.546 1.00 0.00 O ATOM 229 CB THR A 15 12.006 -0.565 7.418 1.00 0.00 C ATOM 230 OG1 THR A 15 13.321 -0.233 6.996 1.00 0.00 O ATOM 231 CG2 THR A 15 11.728 -2.039 7.117 1.00 0.00 C ATOM 0 H THR A 15 12.748 0.793 5.549 1.00 0.00 H new ATOM 0 HA THR A 15 10.094 -0.234 6.396 1.00 0.00 H new ATOM 0 HB THR A 15 11.914 -0.393 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.969 -0.792 7.474 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.448 -2.661 7.649 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.719 -2.293 7.442 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.819 -2.215 6.045 1.00 0.00 H new ATOM 239 N GLY A 16 10.902 2.680 7.240 1.00 0.00 N ATOM 240 CA GLY A 16 10.472 3.825 8.082 1.00 0.00 C ATOM 241 C GLY A 16 8.945 3.901 8.087 1.00 0.00 C ATOM 242 O GLY A 16 8.263 2.932 8.351 1.00 0.00 O ATOM 0 H GLY A 16 11.475 2.923 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.845 3.704 9.099 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.893 4.754 7.696 1.00 0.00 H new ATOM 246 N LYS A 17 8.404 5.049 7.801 1.00 0.00 N ATOM 247 CA LYS A 17 6.920 5.192 7.791 1.00 0.00 C ATOM 248 C LYS A 17 6.453 5.702 6.425 1.00 0.00 C ATOM 249 O LYS A 17 7.256 5.986 5.561 1.00 0.00 O ATOM 250 CB LYS A 17 6.639 6.224 8.877 1.00 0.00 C ATOM 251 CG LYS A 17 5.954 5.546 10.064 1.00 0.00 C ATOM 252 CD LYS A 17 6.836 5.680 11.307 1.00 0.00 C ATOM 253 CE LYS A 17 8.230 5.122 11.009 1.00 0.00 C ATOM 254 NZ LYS A 17 8.906 5.048 12.334 1.00 0.00 N ATOM 0 H LYS A 17 8.923 5.897 7.573 1.00 0.00 H new ATOM 0 HA LYS A 17 6.399 4.251 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.570 6.690 9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.005 7.018 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.981 6.002 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.777 4.494 9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.908 6.726 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.389 5.142 12.143 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.170 4.139 10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.776 5.769 10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.869 4.674 12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.954 5.999 12.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.368 4.420 12.964 1.00 0.00 H new ATOM 268 N PHE A 18 5.168 5.817 6.211 1.00 0.00 N ATOM 269 CA PHE A 18 4.693 6.306 4.884 1.00 0.00 C ATOM 270 C PHE A 18 3.574 7.337 5.029 1.00 0.00 C ATOM 271 O PHE A 18 2.701 7.216 5.866 1.00 0.00 O ATOM 272 CB PHE A 18 4.181 5.066 4.174 1.00 0.00 C ATOM 273 CG PHE A 18 5.352 4.337 3.576 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.135 3.515 4.388 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.667 4.493 2.221 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.238 2.846 3.851 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.769 3.821 1.681 1.00 0.00 C ATOM 278 CZ PHE A 18 7.555 2.999 2.498 1.00 0.00 C ATOM 0 H PHE A 18 4.437 5.597 6.887 1.00 0.00 H new ATOM 0 HA PHE A 18 5.491 6.806 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.651 4.421 4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.470 5.342 3.395 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.888 3.396 5.433 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.061 5.130 1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.845 2.212 4.480 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.013 3.936 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.407 2.482 2.082 1.00 0.00 H new ATOM 288 N LYS A 19 3.591 8.343 4.199 1.00 0.00 N ATOM 289 CA LYS A 19 2.532 9.385 4.253 1.00 0.00 C ATOM 290 C LYS A 19 1.680 9.298 2.989 1.00 0.00 C ATOM 291 O LYS A 19 2.167 9.491 1.897 1.00 0.00 O ATOM 292 CB LYS A 19 3.289 10.710 4.285 1.00 0.00 C ATOM 293 CG LYS A 19 2.289 11.868 4.351 1.00 0.00 C ATOM 294 CD LYS A 19 2.959 13.150 3.851 1.00 0.00 C ATOM 295 CE LYS A 19 2.858 13.217 2.325 1.00 0.00 C ATOM 296 NZ LYS A 19 3.628 14.432 1.941 1.00 0.00 N ATOM 0 H LYS A 19 4.300 8.487 3.480 1.00 0.00 H new ATOM 0 HA LYS A 19 1.870 9.273 5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.954 10.740 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.914 10.805 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.413 11.642 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.940 12.003 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.479 14.021 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.005 13.170 4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.275 12.323 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.820 13.289 2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.605 14.545 0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.204 15.268 2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.614 14.332 2.256 1.00 0.00 H new ATOM 310 N VAL A 20 0.419 9.013 3.109 1.00 0.00 N ATOM 311 CA VAL A 20 -0.409 8.926 1.877 1.00 0.00 C ATOM 312 C VAL A 20 -0.365 10.271 1.154 1.00 0.00 C ATOM 313 O VAL A 20 -0.690 11.303 1.704 1.00 0.00 O ATOM 314 CB VAL A 20 -1.828 8.603 2.350 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.739 8.397 1.135 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.808 7.323 3.187 1.00 0.00 C ATOM 0 H VAL A 20 -0.069 8.839 3.988 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.052 8.165 1.183 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.204 9.429 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.749 8.167 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.755 9.306 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.361 7.571 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.819 7.093 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.431 6.499 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.160 7.464 4.052 1.00 0.00 H new ATOM 326 N VAL A 21 0.035 10.252 -0.081 1.00 0.00 N ATOM 327 CA VAL A 21 0.114 11.500 -0.877 1.00 0.00 C ATOM 328 C VAL A 21 -1.157 11.590 -1.710 1.00 0.00 C ATOM 329 O VAL A 21 -1.632 12.656 -2.049 1.00 0.00 O ATOM 330 CB VAL A 21 1.358 11.306 -1.748 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.449 12.410 -2.798 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.604 11.346 -0.862 1.00 0.00 C ATOM 0 H VAL A 21 0.316 9.409 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 21 0.190 12.417 -0.293 1.00 0.00 H new ATOM 0 HB VAL A 21 1.290 10.343 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.339 12.258 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.563 12.382 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.510 13.379 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.493 11.208 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.659 12.309 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.549 10.549 -0.121 1.00 0.00 H new ATOM 342 N LYS A 22 -1.727 10.454 -1.999 1.00 0.00 N ATOM 343 CA LYS A 22 -2.997 10.413 -2.766 1.00 0.00 C ATOM 344 C LYS A 22 -3.706 9.091 -2.473 1.00 0.00 C ATOM 345 O LYS A 22 -3.104 8.025 -2.484 1.00 0.00 O ATOM 346 CB LYS A 22 -2.617 10.515 -4.236 1.00 0.00 C ATOM 347 CG LYS A 22 -3.861 10.265 -5.089 1.00 0.00 C ATOM 348 CD LYS A 22 -3.458 9.536 -6.370 1.00 0.00 C ATOM 349 CE LYS A 22 -4.517 9.772 -7.450 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.866 9.355 -8.723 1.00 0.00 N ATOM 0 H LYS A 22 -1.359 9.541 -1.731 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.673 11.224 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.205 11.501 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.843 9.786 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.585 9.671 -4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.345 11.211 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.487 9.894 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.354 8.469 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.416 9.187 -7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.819 10.819 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.530 9.487 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.017 9.933 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.596 8.353 -8.663 1.00 0.00 H new ATOM 364 N GLU A 23 -4.978 9.169 -2.197 1.00 0.00 N ATOM 365 CA GLU A 23 -5.768 7.948 -1.869 1.00 0.00 C ATOM 366 C GLU A 23 -5.562 6.857 -2.914 1.00 0.00 C ATOM 367 O GLU A 23 -5.115 7.105 -4.016 1.00 0.00 O ATOM 368 CB GLU A 23 -7.225 8.411 -1.860 1.00 0.00 C ATOM 369 CG GLU A 23 -8.002 7.634 -0.796 1.00 0.00 C ATOM 370 CD GLU A 23 -9.270 8.405 -0.424 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.196 9.229 0.473 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.293 8.157 -1.040 1.00 0.00 O ATOM 0 H GLU A 23 -5.511 10.038 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.463 7.517 -0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.276 9.480 -1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.674 8.253 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.263 6.644 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.381 7.487 0.088 1.00 0.00 H new ATOM 379 N ILE A 24 -5.888 5.645 -2.565 1.00 0.00 N ATOM 380 CA ILE A 24 -5.719 4.521 -3.523 1.00 0.00 C ATOM 381 C ILE A 24 -6.473 4.812 -4.821 1.00 0.00 C ATOM 382 O ILE A 24 -7.629 5.188 -4.818 1.00 0.00 O ATOM 383 CB ILE A 24 -6.300 3.288 -2.801 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.167 2.517 -2.127 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.996 2.354 -3.797 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.105 2.165 -3.174 1.00 0.00 C ATOM 0 H ILE A 24 -6.266 5.384 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.677 4.365 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.025 3.631 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.726 3.117 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.554 1.609 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.398 1.491 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.808 2.888 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.277 2.018 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.293 1.614 -2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.553 1.549 -3.954 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.712 3.081 -3.616 1.00 0.00 H new ATOM 398 N ALA A 25 -5.826 4.611 -5.931 1.00 0.00 N ATOM 399 CA ALA A 25 -6.492 4.838 -7.235 1.00 0.00 C ATOM 400 C ALA A 25 -6.725 3.484 -7.899 1.00 0.00 C ATOM 401 O ALA A 25 -6.190 2.487 -7.469 1.00 0.00 O ATOM 402 CB ALA A 25 -5.506 5.680 -8.045 1.00 0.00 C ATOM 0 H ALA A 25 -4.857 4.297 -5.989 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.456 5.339 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.929 5.891 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.315 6.618 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.571 5.133 -8.162 1.00 0.00 H new ATOM 408 N GLU A 26 -7.514 3.419 -8.927 1.00 0.00 N ATOM 409 CA GLU A 26 -7.748 2.097 -9.570 1.00 0.00 C ATOM 410 C GLU A 26 -7.168 2.074 -10.982 1.00 0.00 C ATOM 411 O GLU A 26 -7.405 2.960 -11.779 1.00 0.00 O ATOM 412 CB GLU A 26 -9.267 1.932 -9.602 1.00 0.00 C ATOM 413 CG GLU A 26 -9.910 3.222 -10.110 1.00 0.00 C ATOM 414 CD GLU A 26 -10.467 4.015 -8.927 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.831 4.012 -7.884 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.520 4.611 -9.080 1.00 0.00 O ATOM 0 H GLU A 26 -8.003 4.209 -9.348 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.264 1.286 -9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.539 1.098 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.639 1.696 -8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.175 3.820 -10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.709 2.990 -10.814 1.00 0.00 H new ATOM 423 N THR A 27 -6.406 1.063 -11.295 1.00 0.00 N ATOM 424 CA THR A 27 -5.804 0.978 -12.658 1.00 0.00 C ATOM 425 C THR A 27 -6.825 0.409 -13.647 1.00 0.00 C ATOM 426 O THR A 27 -7.999 0.306 -13.351 1.00 0.00 O ATOM 427 CB THR A 27 -4.611 0.031 -12.512 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.079 -1.310 -12.481 1.00 0.00 O ATOM 429 CG2 THR A 27 -3.856 0.341 -11.217 1.00 0.00 C ATOM 0 H THR A 27 -6.174 0.293 -10.668 1.00 0.00 H new ATOM 0 HA THR A 27 -5.500 1.954 -13.037 1.00 0.00 H new ATOM 0 HB THR A 27 -3.937 0.165 -13.358 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.917 -1.352 -11.975 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.008 -0.337 -11.119 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.497 1.370 -11.242 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.525 0.211 -10.366 1.00 0.00 H new ATOM 437 N GLN A 28 -6.387 0.039 -14.820 1.00 0.00 N ATOM 438 CA GLN A 28 -7.334 -0.523 -15.825 1.00 0.00 C ATOM 439 C GLN A 28 -7.173 -2.043 -15.914 1.00 0.00 C ATOM 440 O GLN A 28 -7.510 -2.657 -16.906 1.00 0.00 O ATOM 441 CB GLN A 28 -6.945 0.136 -17.149 1.00 0.00 C ATOM 442 CG GLN A 28 -5.596 -0.416 -17.618 1.00 0.00 C ATOM 443 CD GLN A 28 -5.344 0.013 -19.065 1.00 0.00 C ATOM 444 OE1 GLN A 28 -5.385 -0.799 -19.968 1.00 0.00 O ATOM 445 NE2 GLN A 28 -5.084 1.265 -19.326 1.00 0.00 N ATOM 0 H GLN A 28 -5.416 0.101 -15.125 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.374 -0.330 -15.564 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.710 -0.056 -17.901 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.884 1.217 -17.025 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.797 -0.048 -16.974 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.590 -1.503 -17.544 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.049 1.947 -18.569 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.915 1.561 -20.287 1.00 0.00 H new ATOM 454 N HIS A 29 -6.659 -2.655 -14.882 1.00 0.00 N ATOM 455 CA HIS A 29 -6.474 -4.135 -14.905 1.00 0.00 C ATOM 456 C HIS A 29 -7.095 -4.764 -13.656 1.00 0.00 C ATOM 457 O HIS A 29 -6.944 -5.942 -13.401 1.00 0.00 O ATOM 458 CB HIS A 29 -4.959 -4.343 -14.907 1.00 0.00 C ATOM 459 CG HIS A 29 -4.491 -4.637 -16.305 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.787 -3.711 -17.058 1.00 0.00 N ATOM 461 CD2 HIS A 29 -4.615 -5.750 -17.099 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.517 -4.277 -18.248 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.000 -5.521 -18.325 1.00 0.00 N ATOM 0 H HIS A 29 -6.359 -2.194 -14.023 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.953 -4.598 -15.768 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.459 -3.453 -14.525 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.694 -5.166 -14.244 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.114 -6.664 -16.815 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.976 -3.786 -19.044 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.932 -6.164 -19.114 1.00 0.00 H new ATOM 471 N GLY A 30 -7.786 -3.985 -12.871 1.00 0.00 N ATOM 472 CA GLY A 30 -8.408 -4.535 -11.634 1.00 0.00 C ATOM 473 C GLY A 30 -7.506 -4.229 -10.437 1.00 0.00 C ATOM 474 O GLY A 30 -7.799 -4.596 -9.316 1.00 0.00 O ATOM 0 H GLY A 30 -7.947 -2.991 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.394 -4.096 -11.483 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.550 -5.611 -11.732 1.00 0.00 H new ATOM 478 N THR A 31 -6.409 -3.558 -10.666 1.00 0.00 N ATOM 479 CA THR A 31 -5.484 -3.225 -9.544 1.00 0.00 C ATOM 480 C THR A 31 -5.832 -1.857 -8.960 1.00 0.00 C ATOM 481 O THR A 31 -6.762 -1.202 -9.385 1.00 0.00 O ATOM 482 CB THR A 31 -4.089 -3.180 -10.176 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.201 -3.266 -11.590 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.259 -4.353 -9.659 1.00 0.00 C ATOM 0 H THR A 31 -6.113 -3.225 -11.584 1.00 0.00 H new ATOM 0 HA THR A 31 -5.549 -3.951 -8.734 1.00 0.00 H new ATOM 0 HB THR A 31 -3.602 -2.242 -9.909 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.406 -2.380 -11.956 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.266 -4.322 -10.108 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.169 -4.285 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.748 -5.290 -9.925 1.00 0.00 H new ATOM 492 N ILE A 32 -5.067 -1.415 -8.005 1.00 0.00 N ATOM 493 CA ILE A 32 -5.313 -0.078 -7.398 1.00 0.00 C ATOM 494 C ILE A 32 -3.965 0.575 -7.144 1.00 0.00 C ATOM 495 O ILE A 32 -2.977 -0.094 -6.936 1.00 0.00 O ATOM 496 CB ILE A 32 -6.069 -0.280 -6.073 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.342 -1.763 -5.805 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.400 0.465 -6.145 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.584 -1.969 -4.308 1.00 0.00 C ATOM 0 H ILE A 32 -4.275 -1.926 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.907 0.557 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.451 0.106 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.211 -2.094 -6.375 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.496 -2.366 -6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.944 0.329 -5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.214 1.527 -6.305 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.993 0.072 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.779 -3.024 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.702 -1.653 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.443 -1.377 -3.994 1.00 0.00 H new ATOM 511 N VAL A 33 -3.902 1.868 -7.186 1.00 0.00 N ATOM 512 CA VAL A 33 -2.595 2.541 -6.985 1.00 0.00 C ATOM 513 C VAL A 33 -2.591 3.413 -5.732 1.00 0.00 C ATOM 514 O VAL A 33 -3.477 4.212 -5.512 1.00 0.00 O ATOM 515 CB VAL A 33 -2.439 3.399 -8.230 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.227 4.314 -8.072 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.251 2.488 -9.444 1.00 0.00 C ATOM 0 H VAL A 33 -4.695 2.489 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.783 1.827 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.329 4.012 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.116 4.929 -8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.368 4.958 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.330 3.710 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.138 3.096 -10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.359 1.877 -9.306 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.121 1.841 -9.551 1.00 0.00 H new ATOM 527 N ILE A 34 -1.581 3.277 -4.918 1.00 0.00 N ATOM 528 CA ILE A 34 -1.500 4.104 -3.695 1.00 0.00 C ATOM 529 C ILE A 34 -0.300 5.037 -3.785 1.00 0.00 C ATOM 530 O ILE A 34 0.832 4.610 -3.841 1.00 0.00 O ATOM 531 CB ILE A 34 -1.372 3.106 -2.539 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.211 3.623 -1.390 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.082 2.957 -2.077 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.550 4.867 -0.809 1.00 0.00 C ATOM 0 H ILE A 34 -0.809 2.625 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.372 4.742 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.712 2.126 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.217 3.859 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.310 2.856 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.132 2.241 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.693 2.601 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.457 3.923 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.150 5.244 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.552 4.615 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.474 5.633 -1.581 1.00 0.00 H new ATOM 546 N ARG A 35 -0.541 6.309 -3.792 1.00 0.00 N ATOM 547 CA ARG A 35 0.589 7.264 -3.875 1.00 0.00 C ATOM 548 C ARG A 35 0.896 7.761 -2.467 1.00 0.00 C ATOM 549 O ARG A 35 0.042 8.287 -1.781 1.00 0.00 O ATOM 550 CB ARG A 35 0.088 8.364 -4.817 1.00 0.00 C ATOM 551 CG ARG A 35 0.542 9.747 -4.339 1.00 0.00 C ATOM 552 CD ARG A 35 0.435 10.746 -5.494 1.00 0.00 C ATOM 553 NE ARG A 35 1.837 11.168 -5.766 1.00 0.00 N ATOM 554 CZ ARG A 35 2.071 12.258 -6.447 1.00 0.00 C ATOM 555 NH1 ARG A 35 1.080 12.983 -6.890 1.00 0.00 N ATOM 556 NH2 ARG A 35 3.301 12.623 -6.685 1.00 0.00 N ATOM 0 H ARG A 35 -1.469 6.730 -3.744 1.00 0.00 H new ATOM 0 HA ARG A 35 1.520 6.845 -4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.462 8.183 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.000 8.333 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.075 10.075 -3.502 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.570 9.700 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.017 10.287 -6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.189 11.598 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 35 2.615 10.606 -5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.118 12.699 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.268 13.833 -7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.077 12.058 -6.340 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.487 13.474 -7.216 1.00 0.00 H new ATOM 570 N VAL A 36 2.103 7.574 -2.019 1.00 0.00 N ATOM 571 CA VAL A 36 2.454 8.002 -0.657 1.00 0.00 C ATOM 572 C VAL A 36 3.906 8.389 -0.624 1.00 0.00 C ATOM 573 O VAL A 36 4.691 7.993 -1.450 1.00 0.00 O ATOM 574 CB VAL A 36 2.178 6.793 0.243 1.00 0.00 C ATOM 575 CG1 VAL A 36 0.900 6.089 -0.211 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.348 5.805 0.169 1.00 0.00 C ATOM 0 H VAL A 36 2.860 7.140 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 36 1.879 8.866 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 36 2.060 7.141 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.709 5.230 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.061 6.782 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.017 5.751 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.143 4.949 0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.473 5.465 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.262 6.298 0.501 1.00 0.00 H new ATOM 586 N GLN A 37 4.262 9.166 0.320 1.00 0.00 N ATOM 587 CA GLN A 37 5.653 9.602 0.415 1.00 0.00 C ATOM 588 C GLN A 37 6.326 8.831 1.541 1.00 0.00 C ATOM 589 O GLN A 37 5.879 8.848 2.671 1.00 0.00 O ATOM 590 CB GLN A 37 5.506 11.073 0.741 1.00 0.00 C ATOM 591 CG GLN A 37 6.879 11.744 0.782 1.00 0.00 C ATOM 592 CD GLN A 37 6.772 13.163 0.219 1.00 0.00 C ATOM 593 OE1 GLN A 37 7.316 14.093 0.779 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.091 13.369 -0.876 1.00 0.00 N ATOM 0 H GLN A 37 3.642 9.527 1.045 1.00 0.00 H new ATOM 0 HA GLN A 37 6.260 9.436 -0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.878 11.558 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.006 11.192 1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.250 11.775 1.807 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.596 11.164 0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.634 12.588 -1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.016 14.311 -1.261 1.00 0.00 H new ATOM 603 N TYR A 38 7.377 8.133 1.245 1.00 0.00 N ATOM 604 CA TYR A 38 8.044 7.343 2.313 1.00 0.00 C ATOM 605 C TYR A 38 8.549 8.272 3.418 1.00 0.00 C ATOM 606 O TYR A 38 8.972 9.380 3.168 1.00 0.00 O ATOM 607 CB TYR A 38 9.208 6.629 1.622 1.00 0.00 C ATOM 608 CG TYR A 38 10.007 5.855 2.645 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.363 5.266 3.739 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.394 5.732 2.503 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.105 4.556 4.691 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.136 5.025 3.454 1.00 0.00 C ATOM 613 CZ TYR A 38 11.492 4.436 4.550 1.00 0.00 C ATOM 614 OH TYR A 38 12.224 3.738 5.488 1.00 0.00 O ATOM 0 H TYR A 38 7.803 8.073 0.320 1.00 0.00 H new ATOM 0 HA TYR A 38 7.366 6.633 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.830 5.954 0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.847 7.356 1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.293 5.359 3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.892 6.184 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.607 4.101 5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.206 4.933 3.344 1.00 0.00 H new ATOM 0 HH TYR A 38 13.180 3.831 5.292 1.00 0.00 H new ATOM 624 N GLU A 39 8.504 7.826 4.639 1.00 0.00 N ATOM 625 CA GLU A 39 8.985 8.670 5.766 1.00 0.00 C ATOM 626 C GLU A 39 10.142 7.953 6.461 1.00 0.00 C ATOM 627 O GLU A 39 10.935 7.289 5.825 1.00 0.00 O ATOM 628 CB GLU A 39 7.787 8.806 6.705 1.00 0.00 C ATOM 629 CG GLU A 39 6.602 9.396 5.938 1.00 0.00 C ATOM 630 CD GLU A 39 7.012 10.730 5.312 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.272 11.658 6.060 1.00 0.00 O ATOM 632 OE2 GLU A 39 7.059 10.801 4.095 1.00 0.00 O ATOM 0 H GLU A 39 8.152 6.907 4.908 1.00 0.00 H new ATOM 0 HA GLU A 39 9.346 9.647 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.520 7.832 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.043 9.447 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.276 8.703 5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.757 9.542 6.610 1.00 0.00 H new ATOM 639 N GLY A 40 10.242 8.065 7.756 1.00 0.00 N ATOM 640 CA GLY A 40 11.350 7.368 8.466 1.00 0.00 C ATOM 641 C GLY A 40 12.649 7.556 7.694 1.00 0.00 C ATOM 642 O GLY A 40 12.935 8.615 7.173 1.00 0.00 O ATOM 0 H GLY A 40 9.611 8.604 8.349 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.455 7.765 9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.123 6.306 8.562 1.00 0.00 H new ATOM 646 N ASP A 41 13.431 6.526 7.618 1.00 0.00 N ATOM 647 CA ASP A 41 14.723 6.617 6.877 1.00 0.00 C ATOM 648 C ASP A 41 14.907 5.382 5.992 1.00 0.00 C ATOM 649 O ASP A 41 14.538 4.285 6.361 1.00 0.00 O ATOM 650 CB ASP A 41 15.802 6.665 7.960 1.00 0.00 C ATOM 651 CG ASP A 41 16.151 8.122 8.268 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.751 8.760 7.418 1.00 0.00 O ATOM 653 OD2 ASP A 41 15.813 8.576 9.349 1.00 0.00 O ATOM 0 H ASP A 41 13.236 5.617 8.037 1.00 0.00 H new ATOM 0 HA ASP A 41 14.765 7.489 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.449 6.166 8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.691 6.130 7.627 1.00 0.00 H new ATOM 658 N GLY A 42 15.474 5.546 4.826 1.00 0.00 N ATOM 659 CA GLY A 42 15.671 4.368 3.934 1.00 0.00 C ATOM 660 C GLY A 42 16.327 4.792 2.618 1.00 0.00 C ATOM 661 O GLY A 42 17.002 4.008 1.980 1.00 0.00 O ATOM 0 H GLY A 42 15.806 6.437 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.294 3.626 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.711 3.894 3.732 1.00 0.00 H new ATOM 665 N SER A 43 16.143 6.014 2.191 1.00 0.00 N ATOM 666 CA SER A 43 16.774 6.434 0.910 1.00 0.00 C ATOM 667 C SER A 43 16.310 5.470 -0.197 1.00 0.00 C ATOM 668 O SER A 43 15.257 4.891 -0.079 1.00 0.00 O ATOM 669 CB SER A 43 18.264 6.305 1.203 1.00 0.00 C ATOM 670 OG SER A 43 18.978 7.328 0.521 1.00 0.00 O ATOM 0 H SER A 43 15.592 6.728 2.667 1.00 0.00 H new ATOM 0 HA SER A 43 16.519 7.438 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.441 6.378 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.623 5.325 0.887 1.00 0.00 H new ATOM 0 HG SER A 43 19.935 7.243 0.713 1.00 0.00 H new ATOM 676 N PRO A 44 17.088 5.305 -1.237 1.00 0.00 N ATOM 677 CA PRO A 44 16.684 4.371 -2.313 1.00 0.00 C ATOM 678 C PRO A 44 16.367 2.990 -1.718 1.00 0.00 C ATOM 679 O PRO A 44 17.232 2.147 -1.591 1.00 0.00 O ATOM 680 CB PRO A 44 17.905 4.310 -3.226 1.00 0.00 C ATOM 681 CG PRO A 44 18.666 5.566 -2.945 1.00 0.00 C ATOM 682 CD PRO A 44 18.369 5.950 -1.521 1.00 0.00 C ATOM 0 HA PRO A 44 15.788 4.689 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.510 3.428 -3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.611 4.254 -4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.735 5.409 -3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.366 6.360 -3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.149 5.603 -0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.305 7.032 -1.405 1.00 0.00 H new ATOM 690 N CYS A 45 15.130 2.752 -1.355 1.00 0.00 N ATOM 691 CA CYS A 45 14.762 1.430 -0.776 1.00 0.00 C ATOM 692 C CYS A 45 13.376 0.999 -1.260 1.00 0.00 C ATOM 693 O CYS A 45 12.684 1.737 -1.929 1.00 0.00 O ATOM 694 CB CYS A 45 14.765 1.606 0.747 1.00 0.00 C ATOM 695 SG CYS A 45 13.829 3.077 1.247 1.00 0.00 S ATOM 0 H CYS A 45 14.362 3.418 -1.436 1.00 0.00 H new ATOM 0 HA CYS A 45 15.466 0.657 -1.085 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.334 0.722 1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.792 1.688 1.103 1.00 0.00 H new ATOM 700 N LYS A 46 12.975 -0.199 -0.934 1.00 0.00 N ATOM 701 CA LYS A 46 11.643 -0.694 -1.389 1.00 0.00 C ATOM 702 C LYS A 46 10.529 -0.239 -0.447 1.00 0.00 C ATOM 703 O LYS A 46 10.770 0.291 0.615 1.00 0.00 O ATOM 704 CB LYS A 46 11.773 -2.216 -1.381 1.00 0.00 C ATOM 705 CG LYS A 46 12.113 -2.720 -2.783 1.00 0.00 C ATOM 706 CD LYS A 46 12.001 -4.245 -2.818 1.00 0.00 C ATOM 707 CE LYS A 46 12.946 -4.850 -1.777 1.00 0.00 C ATOM 708 NZ LYS A 46 14.236 -4.131 -1.966 1.00 0.00 N ATOM 0 H LYS A 46 13.513 -0.858 -0.371 1.00 0.00 H new ATOM 0 HA LYS A 46 11.379 -0.305 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.550 -2.519 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.841 -2.667 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.436 -2.278 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.122 -2.412 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.975 -4.550 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.252 -4.616 -3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.561 -4.712 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.066 -5.923 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.017 -4.721 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.379 -3.935 -2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.214 -3.235 -1.439 1.00 0.00 H new ATOM 722 N ILE A 47 9.302 -0.417 -0.851 1.00 0.00 N ATOM 723 CA ILE A 47 8.168 0.045 -0.008 1.00 0.00 C ATOM 724 C ILE A 47 7.351 -1.122 0.559 1.00 0.00 C ATOM 725 O ILE A 47 6.889 -1.973 -0.175 1.00 0.00 O ATOM 726 CB ILE A 47 7.315 0.862 -0.972 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.216 1.857 -1.706 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.236 1.615 -0.193 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.637 2.954 -0.735 1.00 0.00 C ATOM 0 H ILE A 47 9.037 -0.863 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 47 8.513 0.606 0.860 1.00 0.00 H new ATOM 0 HB ILE A 47 6.833 0.201 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.094 1.348 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.687 2.289 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.628 2.198 -0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.603 0.901 0.334 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.707 2.283 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.280 3.668 -1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.752 3.467 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.181 2.512 0.100 1.00 0.00 H new ATOM 741 N PRO A 48 7.179 -1.101 1.855 1.00 0.00 N ATOM 742 CA PRO A 48 6.381 -2.146 2.550 1.00 0.00 C ATOM 743 C PRO A 48 4.923 -2.094 2.088 1.00 0.00 C ATOM 744 O PRO A 48 4.383 -1.036 1.829 1.00 0.00 O ATOM 745 CB PRO A 48 6.473 -1.747 4.020 1.00 0.00 C ATOM 746 CG PRO A 48 7.670 -0.861 4.102 1.00 0.00 C ATOM 747 CD PRO A 48 7.712 -0.120 2.800 1.00 0.00 C ATOM 0 HA PRO A 48 6.741 -3.156 2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.573 -1.226 4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.584 -2.622 4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.591 -0.172 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.579 -1.443 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.105 0.785 2.829 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.726 0.184 2.540 1.00 0.00 H new ATOM 755 N PHE A 49 4.284 -3.222 1.981 1.00 0.00 N ATOM 756 CA PHE A 49 2.868 -3.235 1.536 1.00 0.00 C ATOM 757 C PHE A 49 2.140 -4.461 2.092 1.00 0.00 C ATOM 758 O PHE A 49 2.753 -5.427 2.501 1.00 0.00 O ATOM 759 CB PHE A 49 2.964 -3.333 0.025 1.00 0.00 C ATOM 760 CG PHE A 49 1.736 -2.712 -0.605 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.602 -3.495 -0.860 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.730 -1.350 -0.931 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.533 -2.916 -1.441 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.595 -0.772 -1.512 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.535 -1.554 -1.767 1.00 0.00 C ATOM 0 H PHE A 49 4.684 -4.138 2.183 1.00 0.00 H new ATOM 0 HA PHE A 49 2.315 -2.360 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.862 -2.824 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.051 -4.377 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.603 -4.545 -0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.602 -0.745 -0.734 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.407 -3.520 -1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.593 0.278 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.410 -1.108 -2.216 1.00 0.00 H new ATOM 775 N GLU A 50 0.836 -4.433 2.097 1.00 0.00 N ATOM 776 CA GLU A 50 0.067 -5.600 2.612 1.00 0.00 C ATOM 777 C GLU A 50 -1.433 -5.318 2.505 1.00 0.00 C ATOM 778 O GLU A 50 -1.977 -4.505 3.225 1.00 0.00 O ATOM 779 CB GLU A 50 0.500 -5.750 4.071 1.00 0.00 C ATOM 780 CG GLU A 50 -0.378 -6.795 4.762 1.00 0.00 C ATOM 781 CD GLU A 50 -0.322 -8.109 3.981 1.00 0.00 C ATOM 782 OE1 GLU A 50 0.595 -8.878 4.218 1.00 0.00 O ATOM 783 OE2 GLU A 50 -1.198 -8.324 3.159 1.00 0.00 O ATOM 0 H GLU A 50 0.270 -3.652 1.766 1.00 0.00 H new ATOM 0 HA GLU A 50 0.257 -6.513 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.547 -6.049 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.417 -4.793 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.036 -6.953 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.406 -6.439 4.821 1.00 0.00 H new ATOM 790 N ILE A 51 -2.108 -5.977 1.603 1.00 0.00 N ATOM 791 CA ILE A 51 -3.570 -5.736 1.445 1.00 0.00 C ATOM 792 C ILE A 51 -4.368 -6.620 2.409 1.00 0.00 C ATOM 793 O ILE A 51 -5.521 -6.926 2.176 1.00 0.00 O ATOM 794 CB ILE A 51 -3.873 -6.099 -0.012 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.838 -5.422 -0.920 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.276 -5.611 -0.377 1.00 0.00 C ATOM 797 CD1 ILE A 51 -3.317 -5.452 -2.373 1.00 0.00 C ATOM 0 H ILE A 51 -1.711 -6.671 0.970 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.847 -4.707 1.673 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.824 -7.180 -0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.681 -4.391 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.878 -5.932 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.493 -5.869 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.008 -6.087 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.329 -4.529 -0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.576 -4.969 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.451 -6.486 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.266 -4.922 -2.454 1.00 0.00 H new ATOM 970 N GLY A 61 -5.496 -10.714 -2.583 1.00 0.00 N ATOM 971 CA GLY A 61 -4.941 -9.415 -3.054 1.00 0.00 C ATOM 972 C GLY A 61 -3.537 -9.641 -3.617 1.00 0.00 C ATOM 973 O GLY A 61 -2.895 -10.633 -3.330 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.588 -8.986 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.905 -8.702 -2.231 1.00 0.00 H new ATOM 977 N ARG A 62 -3.056 -8.734 -4.420 1.00 0.00 N ATOM 978 CA ARG A 62 -1.694 -8.907 -5.004 1.00 0.00 C ATOM 979 C ARG A 62 -1.034 -7.558 -5.245 1.00 0.00 C ATOM 980 O ARG A 62 -1.656 -6.519 -5.154 1.00 0.00 O ATOM 981 CB ARG A 62 -1.922 -9.612 -6.336 1.00 0.00 C ATOM 982 CG ARG A 62 -1.019 -10.842 -6.413 1.00 0.00 C ATOM 983 CD ARG A 62 0.137 -10.565 -7.376 1.00 0.00 C ATOM 984 NE ARG A 62 0.801 -11.884 -7.572 1.00 0.00 N ATOM 985 CZ ARG A 62 0.202 -12.827 -8.248 1.00 0.00 C ATOM 986 NH1 ARG A 62 -0.984 -12.621 -8.755 1.00 0.00 N ATOM 987 NH2 ARG A 62 0.793 -13.979 -8.420 1.00 0.00 N ATOM 0 H ARG A 62 -3.544 -7.882 -4.697 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.040 -9.469 -4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.967 -9.907 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.705 -8.934 -7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.632 -11.085 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.591 -11.706 -6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.225 -10.161 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.829 -9.833 -6.961 1.00 0.00 H new ATOM 0 HE ARG A 62 1.726 -12.051 -7.177 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.446 -11.721 -8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.449 -13.360 -9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.720 -14.140 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.327 -14.717 -8.948 1.00 0.00 H new ATOM 1001 N LEU A 63 0.225 -7.574 -5.565 1.00 0.00 N ATOM 1002 CA LEU A 63 0.937 -6.306 -5.831 1.00 0.00 C ATOM 1003 C LEU A 63 1.474 -6.315 -7.263 1.00 0.00 C ATOM 1004 O LEU A 63 2.249 -7.172 -7.636 1.00 0.00 O ATOM 1005 CB LEU A 63 2.082 -6.271 -4.817 1.00 0.00 C ATOM 1006 CG LEU A 63 2.250 -4.853 -4.282 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.382 -3.887 -5.454 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.027 -4.475 -3.444 1.00 0.00 C ATOM 0 H LEU A 63 0.792 -8.417 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 63 0.294 -5.431 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.875 -6.958 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.007 -6.605 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 63 3.144 -4.800 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.502 -2.871 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.252 -4.157 -6.052 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.486 -3.940 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.147 -3.461 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.132 -4.525 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.930 -5.169 -2.609 1.00 0.00 H new ATOM 1020 N ILE A 64 1.090 -5.360 -8.062 1.00 0.00 N ATOM 1021 CA ILE A 64 1.613 -5.314 -9.454 1.00 0.00 C ATOM 1022 C ILE A 64 2.947 -4.594 -9.390 1.00 0.00 C ATOM 1023 O ILE A 64 3.871 -4.860 -10.132 1.00 0.00 O ATOM 1024 CB ILE A 64 0.583 -4.507 -10.245 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.587 -5.412 -10.635 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.232 -3.942 -11.510 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.055 -6.199 -9.413 1.00 0.00 C ATOM 0 H ILE A 64 0.441 -4.614 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 64 1.760 -6.290 -9.917 1.00 0.00 H new ATOM 0 HB ILE A 64 0.219 -3.686 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.407 -4.813 -11.030 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.282 -6.097 -11.426 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.495 -3.367 -12.071 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.064 -3.294 -11.234 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.600 -4.762 -12.127 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.889 -6.843 -9.693 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.234 -6.810 -9.038 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.377 -5.506 -8.635 1.00 0.00 H new ATOM 1039 N THR A 65 3.033 -3.700 -8.455 1.00 0.00 N ATOM 1040 CA THR A 65 4.272 -2.934 -8.225 1.00 0.00 C ATOM 1041 C THR A 65 4.886 -3.443 -6.913 1.00 0.00 C ATOM 1042 O THR A 65 5.304 -2.685 -6.065 1.00 0.00 O ATOM 1043 CB THR A 65 3.774 -1.491 -8.110 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.557 -0.962 -9.411 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.793 -0.633 -7.379 1.00 0.00 C ATOM 0 H THR A 65 2.269 -3.464 -7.822 1.00 0.00 H new ATOM 0 HA THR A 65 5.036 -3.025 -8.997 1.00 0.00 H new ATOM 0 HB THR A 65 2.841 -1.485 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.392 0.002 -9.349 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.423 0.390 -7.306 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.954 -1.033 -6.378 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.735 -0.640 -7.928 1.00 0.00 H new ATOM 1053 N VAL A 66 4.899 -4.744 -6.747 1.00 0.00 N ATOM 1054 CA VAL A 66 5.439 -5.367 -5.496 1.00 0.00 C ATOM 1055 C VAL A 66 6.533 -4.507 -4.874 1.00 0.00 C ATOM 1056 O VAL A 66 7.417 -4.023 -5.551 1.00 0.00 O ATOM 1057 CB VAL A 66 5.999 -6.725 -5.929 1.00 0.00 C ATOM 1058 CG1 VAL A 66 6.999 -7.236 -4.886 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.852 -7.730 -6.057 1.00 0.00 C ATOM 0 H VAL A 66 4.553 -5.411 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 66 4.664 -5.467 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 66 6.504 -6.612 -6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.392 -8.202 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.819 -6.525 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.498 -7.345 -3.924 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.249 -8.697 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.350 -7.833 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.139 -7.376 -6.802 1.00 0.00 H new ATOM 1069 N ASN A 67 6.463 -4.334 -3.579 1.00 0.00 N ATOM 1070 CA ASN A 67 7.473 -3.524 -2.842 1.00 0.00 C ATOM 1071 C ASN A 67 8.118 -2.465 -3.742 1.00 0.00 C ATOM 1072 O ASN A 67 9.265 -2.590 -4.123 1.00 0.00 O ATOM 1073 CB ASN A 67 8.511 -4.536 -2.353 1.00 0.00 C ATOM 1074 CG ASN A 67 9.017 -5.385 -3.521 1.00 0.00 C ATOM 1075 OD1 ASN A 67 9.334 -4.870 -4.574 1.00 0.00 O ATOM 1076 ND2 ASN A 67 9.119 -6.678 -3.374 1.00 0.00 N ATOM 0 H ASN A 67 5.730 -4.730 -2.990 1.00 0.00 H new ATOM 0 HA ASN A 67 7.019 -2.970 -2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.346 -4.014 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.071 -5.179 -1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.464 -7.253 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.853 -7.113 -2.491 1.00 0.00 H new ATOM 1083 N PRO A 68 7.358 -1.447 -4.042 1.00 0.00 N ATOM 1084 CA PRO A 68 7.874 -0.355 -4.895 1.00 0.00 C ATOM 1085 C PRO A 68 9.128 0.223 -4.249 1.00 0.00 C ATOM 1086 O PRO A 68 9.599 -0.293 -3.259 1.00 0.00 O ATOM 1087 CB PRO A 68 6.746 0.677 -4.940 1.00 0.00 C ATOM 1088 CG PRO A 68 5.689 0.205 -3.985 1.00 0.00 C ATOM 1089 CD PRO A 68 5.978 -1.227 -3.616 1.00 0.00 C ATOM 0 HA PRO A 68 8.147 -0.681 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.112 1.663 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.344 0.766 -5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.679 0.831 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.703 0.286 -4.442 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.863 -1.391 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.294 -1.911 -4.118 1.00 0.00 H new ATOM 1097 N ILE A 69 9.690 1.271 -4.791 1.00 0.00 N ATOM 1098 CA ILE A 69 10.928 1.824 -4.172 1.00 0.00 C ATOM 1099 C ILE A 69 10.951 3.351 -4.184 1.00 0.00 C ATOM 1100 O ILE A 69 10.574 3.986 -5.149 1.00 0.00 O ATOM 1101 CB ILE A 69 12.074 1.306 -5.041 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.160 -0.229 -4.916 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.388 1.973 -4.599 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.559 -0.673 -4.457 1.00 0.00 C ATOM 0 H ILE A 69 9.353 1.760 -5.620 1.00 0.00 H new ATOM 0 HA ILE A 69 10.997 1.519 -3.128 1.00 0.00 H new ATOM 0 HB ILE A 69 11.895 1.555 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.413 -0.581 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.927 -0.688 -5.877 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.208 1.606 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.304 3.054 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.585 1.732 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.588 -1.760 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.302 -0.342 -5.182 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.780 -0.233 -3.485 1.00 0.00 H new ATOM 1116 N VAL A 70 11.465 3.934 -3.138 1.00 0.00 N ATOM 1117 CA VAL A 70 11.600 5.420 -3.103 1.00 0.00 C ATOM 1118 C VAL A 70 13.039 5.753 -3.478 1.00 0.00 C ATOM 1119 O VAL A 70 13.904 4.906 -3.390 1.00 0.00 O ATOM 1120 CB VAL A 70 11.322 5.855 -1.662 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.363 7.382 -1.576 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.939 5.366 -1.236 1.00 0.00 C ATOM 0 H VAL A 70 11.798 3.448 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 70 10.916 5.922 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 70 12.079 5.428 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.165 7.694 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.348 7.737 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.605 7.804 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.743 5.677 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.183 5.793 -1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.902 4.278 -1.299 1.00 0.00 H new ATOM 1132 N THR A 71 13.317 6.952 -3.899 1.00 0.00 N ATOM 1133 CA THR A 71 14.722 7.278 -4.274 1.00 0.00 C ATOM 1134 C THR A 71 15.318 8.310 -3.317 1.00 0.00 C ATOM 1135 O THR A 71 16.521 8.429 -3.197 1.00 0.00 O ATOM 1136 CB THR A 71 14.641 7.849 -5.689 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.848 6.995 -6.500 1.00 0.00 O ATOM 1138 CG2 THR A 71 16.052 7.947 -6.271 1.00 0.00 C ATOM 0 H THR A 71 12.645 7.712 -4.000 1.00 0.00 H new ATOM 0 HA THR A 71 15.364 6.399 -4.223 1.00 0.00 H new ATOM 0 HB THR A 71 14.187 8.840 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.795 7.362 -7.407 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.002 8.354 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.659 8.602 -5.646 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.503 6.955 -6.302 1.00 0.00 H new ATOM 1146 N GLU A 72 14.499 9.063 -2.639 1.00 0.00 N ATOM 1147 CA GLU A 72 15.053 10.084 -1.707 1.00 0.00 C ATOM 1148 C GLU A 72 14.366 10.014 -0.346 1.00 0.00 C ATOM 1149 O GLU A 72 14.464 10.924 0.454 1.00 0.00 O ATOM 1150 CB GLU A 72 14.769 11.422 -2.378 1.00 0.00 C ATOM 1151 CG GLU A 72 15.315 11.395 -3.804 1.00 0.00 C ATOM 1152 CD GLU A 72 15.793 12.794 -4.198 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.713 13.284 -3.564 1.00 0.00 O ATOM 1154 OE2 GLU A 72 15.231 13.352 -5.126 1.00 0.00 O ATOM 0 H GLU A 72 13.481 9.018 -2.688 1.00 0.00 H new ATOM 0 HA GLU A 72 16.116 9.929 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.696 11.616 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.233 12.231 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.139 10.685 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.542 11.056 -4.494 1.00 0.00 H new ATOM 1161 N LYS A 73 13.671 8.944 -0.075 1.00 0.00 N ATOM 1162 CA LYS A 73 12.975 8.810 1.239 1.00 0.00 C ATOM 1163 C LYS A 73 11.761 9.735 1.312 1.00 0.00 C ATOM 1164 O LYS A 73 11.023 9.717 2.270 1.00 0.00 O ATOM 1165 CB LYS A 73 14.009 9.206 2.293 1.00 0.00 C ATOM 1166 CG LYS A 73 13.645 8.571 3.636 1.00 0.00 C ATOM 1167 CD LYS A 73 13.759 9.621 4.743 1.00 0.00 C ATOM 1168 CE LYS A 73 12.361 10.118 5.123 1.00 0.00 C ATOM 1169 NZ LYS A 73 12.564 10.932 6.354 1.00 0.00 N ATOM 0 H LYS A 73 13.554 8.153 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 73 12.605 7.796 1.391 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.002 8.880 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.046 10.291 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.631 8.174 3.600 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.309 7.732 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.254 9.193 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.374 10.455 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.923 10.715 4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.682 9.285 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.669 11.390 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.880 10.315 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.285 11.659 6.174 1.00 0.00 H new ATOM 1183 N ASP A 74 11.548 10.545 0.315 1.00 0.00 N ATOM 1184 CA ASP A 74 10.378 11.460 0.345 1.00 0.00 C ATOM 1185 C ASP A 74 9.697 11.491 -1.024 1.00 0.00 C ATOM 1186 O ASP A 74 8.730 12.197 -1.230 1.00 0.00 O ATOM 1187 CB ASP A 74 10.968 12.824 0.684 1.00 0.00 C ATOM 1188 CG ASP A 74 9.884 13.716 1.292 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.211 13.261 2.202 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.745 14.839 0.836 1.00 0.00 O ATOM 0 H ASP A 74 12.133 10.612 -0.518 1.00 0.00 H new ATOM 0 HA ASP A 74 9.621 11.149 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.795 12.710 1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.374 13.289 -0.214 1.00 0.00 H new ATOM 1195 N SER A 75 10.186 10.725 -1.960 1.00 0.00 N ATOM 1196 CA SER A 75 9.555 10.710 -3.306 1.00 0.00 C ATOM 1197 C SER A 75 8.220 9.964 -3.235 1.00 0.00 C ATOM 1198 O SER A 75 8.194 8.760 -3.067 1.00 0.00 O ATOM 1199 CB SER A 75 10.549 9.961 -4.195 1.00 0.00 C ATOM 1200 OG SER A 75 10.003 9.823 -5.500 1.00 0.00 O ATOM 0 H SER A 75 10.993 10.111 -1.850 1.00 0.00 H new ATOM 0 HA SER A 75 9.346 11.709 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.494 10.502 -4.239 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.764 8.979 -3.773 1.00 0.00 H new ATOM 0 HG SER A 75 10.639 9.345 -6.072 1.00 0.00 H new ATOM 1206 N PRO A 76 7.150 10.705 -3.355 1.00 0.00 N ATOM 1207 CA PRO A 76 5.802 10.096 -3.290 1.00 0.00 C ATOM 1208 C PRO A 76 5.711 8.937 -4.284 1.00 0.00 C ATOM 1209 O PRO A 76 5.738 9.129 -5.484 1.00 0.00 O ATOM 1210 CB PRO A 76 4.848 11.231 -3.677 1.00 0.00 C ATOM 1211 CG PRO A 76 5.710 12.384 -4.103 1.00 0.00 C ATOM 1212 CD PRO A 76 7.095 12.150 -3.564 1.00 0.00 C ATOM 0 HA PRO A 76 5.565 9.687 -2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.185 10.922 -4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.215 11.510 -2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.732 12.463 -5.190 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.306 13.323 -3.723 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.859 12.482 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.260 12.695 -2.634 1.00 0.00 H new ATOM 1220 N VAL A 77 5.625 7.733 -3.792 1.00 0.00 N ATOM 1221 CA VAL A 77 5.554 6.555 -4.707 1.00 0.00 C ATOM 1222 C VAL A 77 4.126 6.011 -4.821 1.00 0.00 C ATOM 1223 O VAL A 77 3.367 6.016 -3.872 1.00 0.00 O ATOM 1224 CB VAL A 77 6.466 5.517 -4.074 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.516 4.286 -4.974 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.866 6.109 -3.942 1.00 0.00 C ATOM 0 H VAL A 77 5.601 7.511 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 77 5.856 6.819 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 77 6.091 5.234 -3.090 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.168 3.535 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.512 3.875 -5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.903 4.567 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.531 5.374 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.242 6.378 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.827 6.999 -3.314 1.00 0.00 H new ATOM 1236 N ASN A 78 3.767 5.524 -5.980 1.00 0.00 N ATOM 1237 CA ASN A 78 2.401 4.956 -6.176 1.00 0.00 C ATOM 1238 C ASN A 78 2.481 3.425 -6.138 1.00 0.00 C ATOM 1239 O ASN A 78 3.352 2.844 -6.755 1.00 0.00 O ATOM 1240 CB ASN A 78 1.977 5.428 -7.567 1.00 0.00 C ATOM 1241 CG ASN A 78 2.115 6.950 -7.655 1.00 0.00 C ATOM 1242 OD1 ASN A 78 3.096 7.510 -7.208 1.00 0.00 O ATOM 1243 ND2 ASN A 78 1.167 7.646 -8.218 1.00 0.00 N ATOM 0 H ASN A 78 4.366 5.495 -6.805 1.00 0.00 H new ATOM 0 HA ASN A 78 1.696 5.271 -5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.595 4.952 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.946 5.134 -7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.249 8.661 -8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.343 7.176 -8.593 1.00 0.00 H new ATOM 1250 N ILE A 79 1.608 2.746 -5.429 1.00 0.00 N ATOM 1251 CA ILE A 79 1.728 1.257 -5.413 1.00 0.00 C ATOM 1252 C ILE A 79 0.525 0.589 -6.071 1.00 0.00 C ATOM 1253 O ILE A 79 -0.602 0.700 -5.631 1.00 0.00 O ATOM 1254 CB ILE A 79 1.842 0.859 -3.948 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.916 1.728 -3.275 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.238 -0.620 -3.885 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.284 1.151 -1.908 1.00 0.00 C ATOM 0 H ILE A 79 0.845 3.143 -4.880 1.00 0.00 H new ATOM 0 HA ILE A 79 2.598 0.931 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 79 0.895 1.007 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.803 1.777 -3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.549 2.748 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.326 -0.929 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.475 -1.222 -4.379 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.195 -0.762 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.046 1.776 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.398 1.125 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.671 0.140 -2.032 1.00 0.00 H new ATOM 1269 N GLU A 80 0.790 -0.111 -7.133 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.277 -0.826 -7.887 1.00 0.00 C ATOM 1271 C GLU A 80 -0.493 -2.234 -7.313 1.00 0.00 C ATOM 1272 O GLU A 80 0.357 -3.093 -7.432 1.00 0.00 O ATOM 1273 CB GLU A 80 0.274 -0.913 -9.310 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.801 -0.471 -10.294 1.00 0.00 C ATOM 1275 CD GLU A 80 -0.150 -0.057 -11.614 1.00 0.00 C ATOM 1276 OE1 GLU A 80 0.349 1.054 -11.683 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -0.161 -0.858 -12.535 1.00 0.00 O ATOM 0 H GLU A 80 1.726 -0.222 -7.522 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.240 -0.318 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.157 -0.281 -9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.587 -1.934 -9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.508 -1.283 -10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.367 0.363 -9.879 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.620 -2.481 -6.695 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.868 -3.841 -6.126 1.00 0.00 C ATOM 1286 C ALA A 81 -3.202 -4.403 -6.621 1.00 0.00 C ATOM 1287 O ALA A 81 -4.132 -3.674 -6.892 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.891 -3.647 -4.604 1.00 0.00 C ATOM 0 H ALA A 81 -2.373 -1.807 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.101 -4.552 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.069 -4.606 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.933 -3.245 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.687 -2.952 -4.338 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.298 -5.702 -6.749 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.570 -6.315 -7.234 1.00 0.00 C ATOM 1296 C GLU A 82 -5.392 -6.847 -6.057 1.00 0.00 C ATOM 1297 O GLU A 82 -5.080 -7.880 -5.501 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.128 -7.468 -8.131 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.359 -8.221 -8.641 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.314 -8.300 -10.168 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.700 -9.224 -10.676 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.894 -7.435 -10.804 1.00 0.00 O ATOM 0 H GLU A 82 -2.551 -6.364 -6.539 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.198 -5.596 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.548 -7.087 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.478 -8.145 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.387 -9.224 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.268 -7.713 -8.319 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.420 -6.117 -5.718 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.305 -6.514 -4.596 1.00 0.00 C ATOM 1311 C PRO A 83 -8.318 -7.567 -5.055 1.00 0.00 C ATOM 1312 O PRO A 83 -8.756 -7.554 -6.188 1.00 0.00 O ATOM 1313 CB PRO A 83 -8.020 -5.213 -4.253 1.00 0.00 C ATOM 1314 CG PRO A 83 -8.077 -4.467 -5.547 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.853 -4.860 -6.338 1.00 0.00 C ATOM 0 HA PRO A 83 -6.766 -6.952 -3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.019 -5.401 -3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.478 -4.650 -3.493 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.986 -4.715 -6.095 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.094 -3.391 -5.371 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.086 -4.995 -7.394 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.077 -4.097 -6.278 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.670 -8.438 -4.149 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.660 -9.498 -4.460 1.00 0.00 C ATOM 1325 C PRO A 84 -10.977 -8.860 -4.914 1.00 0.00 C ATOM 1326 O PRO A 84 -11.512 -9.182 -5.956 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.845 -10.243 -3.135 1.00 0.00 C ATOM 1328 CG PRO A 84 -9.210 -9.379 -2.086 1.00 0.00 C ATOM 1329 CD PRO A 84 -8.186 -8.519 -2.772 1.00 0.00 C ATOM 0 HA PRO A 84 -9.338 -10.162 -5.262 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.902 -10.404 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.374 -11.225 -3.170 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.960 -8.762 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.742 -9.992 -1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.118 -7.533 -2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.192 -8.963 -2.722 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.158 -3.547 2.762 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.362 -2.474 3.424 1.00 0.00 C ATOM 1389 C TYR A 89 -5.902 -2.569 2.984 1.00 0.00 C ATOM 1390 O TYR A 89 -5.150 -3.387 3.475 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.476 -2.730 4.929 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.887 -3.152 5.274 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.280 -4.486 5.104 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.801 -2.210 5.761 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.586 -4.877 5.422 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -11.107 -2.601 6.078 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.500 -3.934 5.909 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.787 -4.320 6.223 1.00 0.00 O ATOM 0 HA TYR A 89 -7.726 -1.481 3.161 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.771 -3.506 5.229 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.212 -1.828 5.481 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.575 -5.213 4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.498 -1.182 5.892 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.889 -5.906 5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.812 -1.874 6.453 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.291 -3.545 6.548 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.491 -1.742 2.065 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.077 -1.793 1.603 1.00 0.00 C ATOM 1410 C ILE A 90 -3.166 -1.198 2.676 1.00 0.00 C ATOM 1411 O ILE A 90 -3.301 -0.050 3.050 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.041 -0.938 0.336 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.675 -1.712 -0.821 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.589 -0.603 -0.011 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.705 -0.825 -1.524 1.00 0.00 C ATOM 0 H ILE A 90 -6.071 -1.034 1.615 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.735 -2.810 1.413 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.598 -0.016 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.906 -2.025 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.153 -2.618 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.562 0.007 -0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.136 -0.051 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.033 -1.525 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.157 -1.376 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.479 -0.534 -0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.213 0.068 -1.911 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.241 -1.966 3.182 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.333 -1.430 4.233 1.00 0.00 C ATOM 1429 C ILE A 91 -0.007 -0.998 3.609 1.00 0.00 C ATOM 1430 O ILE A 91 0.519 -1.646 2.724 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.126 -2.582 5.213 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.406 -2.792 6.028 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.027 -2.240 6.157 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -3.022 -4.151 5.682 1.00 0.00 C ATOM 0 H ILE A 91 -2.075 -2.936 2.915 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.748 -0.553 4.731 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.891 -3.493 4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.182 -2.744 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.118 -1.995 5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.178 -3.060 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.937 -2.085 5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.212 -1.330 6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.932 -4.297 6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.262 -4.182 4.619 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.311 -4.943 5.917 1.00 0.00 H new ATOM 1446 N ILE A 92 0.530 0.101 4.058 1.00 0.00 N ATOM 1447 CA ILE A 92 1.816 0.597 3.493 1.00 0.00 C ATOM 1448 C ILE A 92 2.829 0.824 4.618 1.00 0.00 C ATOM 1449 O ILE A 92 2.481 1.277 5.688 1.00 0.00 O ATOM 1450 CB ILE A 92 1.438 1.922 2.815 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.129 1.668 1.342 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.584 2.935 2.923 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.153 2.733 0.845 1.00 0.00 C ATOM 0 H ILE A 92 0.131 0.681 4.796 1.00 0.00 H new ATOM 0 HA ILE A 92 2.279 -0.104 2.798 1.00 0.00 H new ATOM 0 HB ILE A 92 0.561 2.331 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.047 1.696 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.699 0.675 1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.294 3.866 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.802 3.128 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.472 2.533 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.072 2.558 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.768 2.683 1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.601 3.720 0.960 1.00 0.00 H new ATOM 1465 N GLY A 93 4.076 0.525 4.392 1.00 0.00 N ATOM 1466 CA GLY A 93 5.075 0.748 5.462 1.00 0.00 C ATOM 1467 C GLY A 93 5.049 -0.434 6.422 1.00 0.00 C ATOM 1468 O GLY A 93 4.580 -1.506 6.094 1.00 0.00 O ATOM 0 H GLY A 93 4.441 0.140 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.070 0.860 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.854 1.672 5.997 1.00 0.00 H new ATOM 1472 N VAL A 94 5.550 -0.252 7.600 1.00 0.00 N ATOM 1473 CA VAL A 94 5.560 -1.370 8.577 1.00 0.00 C ATOM 1474 C VAL A 94 4.828 -0.961 9.847 1.00 0.00 C ATOM 1475 O VAL A 94 4.811 0.198 10.208 1.00 0.00 O ATOM 1476 CB VAL A 94 7.041 -1.653 8.861 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.513 -2.769 7.927 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.884 -0.395 8.608 1.00 0.00 C ATOM 0 H VAL A 94 5.955 0.623 7.934 1.00 0.00 H new ATOM 0 HA VAL A 94 5.054 -2.257 8.194 1.00 0.00 H new ATOM 0 HB VAL A 94 7.158 -1.951 9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.565 -2.982 8.117 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.923 -3.668 8.107 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.388 -2.454 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.932 -0.612 8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.775 -0.087 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.544 0.408 9.262 1.00 0.00 H new ATOM 1488 N GLU A 95 4.223 -1.918 10.516 1.00 0.00 N ATOM 1489 CA GLU A 95 3.467 -1.641 11.783 1.00 0.00 C ATOM 1490 C GLU A 95 3.880 -0.305 12.407 1.00 0.00 C ATOM 1491 O GLU A 95 3.053 0.560 12.605 1.00 0.00 O ATOM 1492 CB GLU A 95 3.836 -2.797 12.715 1.00 0.00 C ATOM 1493 CG GLU A 95 2.653 -3.760 12.826 1.00 0.00 C ATOM 1494 CD GLU A 95 3.090 -5.159 12.385 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.676 -5.858 13.195 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.834 -5.506 11.244 1.00 0.00 O ATOM 0 H GLU A 95 4.222 -2.897 10.231 1.00 0.00 H new ATOM 0 HA GLU A 95 2.395 -1.570 11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.711 -3.322 12.332 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.100 -2.414 13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.289 -3.788 13.853 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.828 -3.412 12.204 1.00 0.00 H new ATOM 1503 N PRO A 96 5.153 -0.183 12.689 1.00 0.00 N ATOM 1504 CA PRO A 96 5.699 1.066 13.288 1.00 0.00 C ATOM 1505 C PRO A 96 5.335 2.313 12.462 1.00 0.00 C ATOM 1506 O PRO A 96 6.190 2.938 11.866 1.00 0.00 O ATOM 1507 CB PRO A 96 7.218 0.846 13.276 1.00 0.00 C ATOM 1508 CG PRO A 96 7.449 -0.355 12.414 1.00 0.00 C ATOM 1509 CD PRO A 96 6.206 -1.186 12.499 1.00 0.00 C ATOM 0 HA PRO A 96 5.293 1.247 14.283 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.736 1.718 12.878 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.597 0.682 14.285 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.649 -0.060 11.384 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.316 -0.918 12.758 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.048 -1.771 11.593 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.247 -1.891 13.330 1.00 0.00 H new ATOM 1517 N GLY A 97 4.085 2.700 12.444 1.00 0.00 N ATOM 1518 CA GLY A 97 3.689 3.925 11.684 1.00 0.00 C ATOM 1519 C GLY A 97 3.229 3.568 10.266 1.00 0.00 C ATOM 1520 O GLY A 97 2.944 4.434 9.465 1.00 0.00 O ATOM 0 H GLY A 97 3.322 2.221 12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.886 4.441 12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.532 4.614 11.634 1.00 0.00 H new ATOM 1524 N GLN A 98 3.152 2.307 9.948 1.00 0.00 N ATOM 1525 CA GLN A 98 2.706 1.911 8.579 1.00 0.00 C ATOM 1526 C GLN A 98 1.352 2.566 8.251 1.00 0.00 C ATOM 1527 O GLN A 98 0.625 2.981 9.132 1.00 0.00 O ATOM 1528 CB GLN A 98 2.619 0.373 8.652 1.00 0.00 C ATOM 1529 CG GLN A 98 1.247 -0.145 8.200 1.00 0.00 C ATOM 1530 CD GLN A 98 1.078 -1.592 8.665 1.00 0.00 C ATOM 1531 OE1 GLN A 98 2.131 -2.358 8.770 1.00 0.00 O flip ATOM 1532 NE2 GLN A 98 -0.021 -2.032 8.936 1.00 0.00 N flip ATOM 0 H GLN A 98 3.377 1.533 10.573 1.00 0.00 H new ATOM 0 HA GLN A 98 3.379 2.235 7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.396 -0.065 8.026 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.812 0.047 9.674 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.455 0.478 8.615 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.162 -0.087 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.844 -1.435 8.854 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.121 -2.999 9.245 1.00 0.00 H new ATOM 1541 N LEU A 99 1.014 2.664 6.990 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.285 3.296 6.608 1.00 0.00 C ATOM 1543 C LEU A 99 -1.355 2.227 6.351 1.00 0.00 C ATOM 1544 O LEU A 99 -1.095 1.042 6.415 1.00 0.00 O ATOM 1545 CB LEU A 99 0.017 4.064 5.321 1.00 0.00 C ATOM 1546 CG LEU A 99 0.345 5.519 5.657 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.836 6.232 4.396 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.911 6.217 6.181 1.00 0.00 C ATOM 0 H LEU A 99 1.581 2.334 6.209 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.671 3.942 7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.855 3.603 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.840 4.020 4.649 1.00 0.00 H new ATOM 0 HG LEU A 99 1.123 5.551 6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.071 7.270 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.730 5.734 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.057 6.201 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.678 7.254 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.689 6.187 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.263 5.708 7.078 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.558 2.647 6.058 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.659 1.672 5.792 1.00 0.00 C ATOM 1562 C LYS A 100 -4.754 2.332 4.948 1.00 0.00 C ATOM 1563 O LYS A 100 -5.246 3.394 5.272 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.201 1.301 7.168 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.202 -0.222 7.317 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.584 -0.594 8.752 1.00 0.00 C ATOM 1567 CE LYS A 100 -5.763 -1.570 8.729 1.00 0.00 C ATOM 1568 NZ LYS A 100 -6.973 -0.709 8.628 1.00 0.00 N ATOM 0 H LYS A 100 -2.827 3.629 5.991 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.312 0.798 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.588 1.754 7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.212 1.691 7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.907 -0.666 6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.217 -0.622 7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.733 -1.047 9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.850 0.302 9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.693 -2.254 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.787 -2.181 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.824 -1.307 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.017 -0.074 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.925 -0.144 7.756 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.138 1.709 3.868 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.203 2.299 3.003 1.00 0.00 C ATOM 1584 C LEU A 101 -7.271 1.246 2.697 1.00 0.00 C ATOM 1585 O LEU A 101 -6.975 0.174 2.209 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.483 2.726 1.724 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.591 3.933 2.019 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.170 3.456 2.329 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.563 4.857 0.799 1.00 0.00 C ATOM 0 H LEU A 101 -4.762 0.817 3.546 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.710 3.137 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.882 1.902 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.210 2.978 0.952 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.987 4.475 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.535 4.317 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.188 2.798 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.773 2.913 1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.927 5.717 1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.167 4.314 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.574 5.198 0.578 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.509 1.538 2.988 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.591 0.546 2.724 1.00 0.00 C ATOM 1603 C ASN A 102 -10.182 0.742 1.325 1.00 0.00 C ATOM 1604 O ASN A 102 -10.511 1.842 0.929 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.647 0.824 3.795 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.956 0.130 3.416 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -12.923 0.779 3.068 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.030 -1.172 3.469 1.00 0.00 N ATOM 0 H ASN A 102 -8.819 2.420 3.397 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.222 -0.479 2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.300 0.465 4.764 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.808 1.898 3.892 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.899 -1.644 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.219 -1.717 3.761 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.328 -0.319 0.571 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.909 -0.177 -0.797 1.00 0.00 C ATOM 1617 C TRP A 103 -12.273 -0.870 -0.868 1.00 0.00 C ATOM 1618 O TRP A 103 -12.397 -2.049 -0.602 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.911 -0.860 -1.732 1.00 0.00 C ATOM 1620 CG TRP A 103 -10.050 -0.290 -3.109 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.126 -1.017 -4.248 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.134 1.109 -3.510 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.251 -0.154 -5.322 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.260 1.166 -4.919 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.112 2.322 -2.797 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.361 2.382 -5.596 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.215 3.548 -3.477 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.338 3.578 -4.873 1.00 0.00 C ATOM 0 H TRP A 103 -10.072 -1.269 0.841 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.068 0.867 -1.068 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.895 -0.713 -1.367 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -10.091 -1.935 -1.751 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.094 -2.095 -4.309 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.327 -0.456 -6.293 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.015 2.311 -1.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.456 2.399 -6.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.199 4.473 -2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.415 4.524 -5.389 1.00 0.00 H new