USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 910 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 114 THR OG1 : rot -82:sc= 0.947 USER MOD Set 2.1: A 45 MET CE :methyl 136:sc= -0.246 (180deg=-0.877) USER MOD Set 2.2: A 124 MET CE :methyl 162:sc= -0.145 (180deg=-0.65) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.5) USER MOD Single : A 41 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.7!) USER MOD Single : A 43 ASN : amide:sc= -1.72 X(o=-1.7,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 130:sc= -0.077 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0926 (180deg=-0.36) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.456 K(o=-0.46,f=-0.97) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= -1.2! (180deg=-2.04!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.21) USER MOD Single : A 83 GLN : amide:sc= -1.36! K(o=-1.4!,f=-0.11) USER MOD Single : A 89 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.34) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -80:sc= 1.01 USER MOD Single : A 95 THR OG1 : rot 81:sc= 0.86 USER MOD Single : A 96 THR OG1 : rot 82:sc= 0.804 USER MOD Single : A 98 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.0072) USER MOD Single : A 99 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-3.8!) USER MOD Single : A 100 HIS : no HD1:sc= -0.125 K(o=-0.13,f=-1.3) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 144:sc= -0.204 (180deg=-1.89) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.237 1.592 6.317 1.00 0.00 N ATOM 243 CA ALA A 19 19.299 2.985 5.882 1.00 0.00 C ATOM 244 C ALA A 19 18.359 3.247 4.710 1.00 0.00 C ATOM 245 O ALA A 19 17.483 4.109 4.787 1.00 0.00 O ATOM 246 CB ALA A 19 20.725 3.358 5.507 1.00 0.00 C ATOM 0 HA ALA A 19 18.975 3.609 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.756 4.399 5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.375 3.226 6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.067 2.716 4.695 1.00 0.00 H new ATOM 252 N GLU A 20 18.545 2.498 3.628 1.00 0.00 N ATOM 253 CA GLU A 20 17.714 2.651 2.437 1.00 0.00 C ATOM 254 C GLU A 20 16.258 2.311 2.739 1.00 0.00 C ATOM 255 O GLU A 20 15.346 3.016 2.308 1.00 0.00 O ATOM 256 CB GLU A 20 18.236 1.761 1.307 1.00 0.00 C ATOM 257 CG GLU A 20 17.441 1.880 0.016 1.00 0.00 C ATOM 258 CD GLU A 20 17.436 3.290 -0.539 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.359 3.628 -1.310 1.00 0.00 O ATOM 260 OE2 GLU A 20 16.509 4.057 -0.204 1.00 0.00 O ATOM 0 H GLU A 20 19.264 1.779 3.550 1.00 0.00 H new ATOM 0 HA GLU A 20 17.765 3.693 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.277 2.016 1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.221 0.723 1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.860 1.202 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.414 1.561 0.195 1.00 0.00 H new ATOM 267 N PHE A 21 16.047 1.227 3.480 1.00 0.00 N ATOM 268 CA PHE A 21 14.698 0.798 3.838 1.00 0.00 C ATOM 269 C PHE A 21 13.961 1.901 4.590 1.00 0.00 C ATOM 270 O PHE A 21 12.846 2.275 4.223 1.00 0.00 O ATOM 271 CB PHE A 21 14.752 -0.470 4.694 1.00 0.00 C ATOM 272 CG PHE A 21 13.399 -1.060 4.981 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.674 -0.659 6.092 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.855 -2.016 4.139 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.431 -1.199 6.357 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.611 -2.561 4.400 1.00 0.00 C ATOM 277 CZ PHE A 21 10.899 -2.152 5.510 1.00 0.00 C ATOM 0 H PHE A 21 16.790 0.631 3.844 1.00 0.00 H new ATOM 0 HA PHE A 21 14.155 0.583 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.364 -1.215 4.186 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.247 -0.241 5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.086 0.084 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.408 -2.339 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.875 -0.877 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.197 -3.306 3.736 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.927 -2.576 5.716 1.00 0.00 H new ATOM 287 N ASP A 22 14.590 2.415 5.642 1.00 0.00 N ATOM 288 CA ASP A 22 13.995 3.475 6.449 1.00 0.00 C ATOM 289 C ASP A 22 13.631 4.677 5.583 1.00 0.00 C ATOM 290 O ASP A 22 12.635 5.357 5.834 1.00 0.00 O ATOM 291 CB ASP A 22 14.958 3.904 7.557 1.00 0.00 C ATOM 292 CG ASP A 22 14.360 4.962 8.463 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.500 6.162 8.148 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.751 4.591 9.488 1.00 0.00 O ATOM 0 H ASP A 22 15.513 2.114 5.956 1.00 0.00 H new ATOM 0 HA ASP A 22 13.083 3.085 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.234 3.034 8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.875 4.288 7.110 1.00 0.00 H new ATOM 299 N ALA A 23 14.446 4.930 4.563 1.00 0.00 N ATOM 300 CA ALA A 23 14.210 6.046 3.656 1.00 0.00 C ATOM 301 C ALA A 23 12.877 5.887 2.934 1.00 0.00 C ATOM 302 O ALA A 23 12.103 6.839 2.821 1.00 0.00 O ATOM 303 CB ALA A 23 15.349 6.158 2.652 1.00 0.00 C ATOM 0 H ALA A 23 15.275 4.377 4.345 1.00 0.00 H new ATOM 0 HA ALA A 23 14.169 6.963 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.161 6.995 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.287 6.322 3.183 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.416 5.237 2.073 1.00 0.00 H new ATOM 309 N VAL A 24 12.616 4.676 2.450 1.00 0.00 N ATOM 310 CA VAL A 24 11.377 4.386 1.740 1.00 0.00 C ATOM 311 C VAL A 24 10.169 4.611 2.643 1.00 0.00 C ATOM 312 O VAL A 24 9.145 5.139 2.207 1.00 0.00 O ATOM 313 CB VAL A 24 11.353 2.935 1.221 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.146 2.705 0.325 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.644 2.610 0.483 1.00 0.00 C ATOM 0 H VAL A 24 13.248 3.880 2.537 1.00 0.00 H new ATOM 0 HA VAL A 24 11.328 5.067 0.890 1.00 0.00 H new ATOM 0 HB VAL A 24 11.272 2.265 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.148 1.675 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.233 2.892 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.191 3.383 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.609 1.581 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.759 3.286 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.490 2.729 1.160 1.00 0.00 H new ATOM 325 N VAL A 25 10.297 4.205 3.903 1.00 0.00 N ATOM 326 CA VAL A 25 9.220 4.364 4.874 1.00 0.00 C ATOM 327 C VAL A 25 8.825 5.832 5.011 1.00 0.00 C ATOM 328 O VAL A 25 7.639 6.161 5.076 1.00 0.00 O ATOM 329 CB VAL A 25 9.627 3.816 6.257 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.478 3.935 7.246 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.089 2.371 6.140 1.00 0.00 C ATOM 0 H VAL A 25 11.137 3.763 4.275 1.00 0.00 H new ATOM 0 HA VAL A 25 8.367 3.793 4.506 1.00 0.00 H new ATOM 0 HB VAL A 25 10.457 4.415 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.789 3.542 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.197 4.983 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.623 3.366 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.373 1.999 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.278 1.761 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.947 2.317 5.470 1.00 0.00 H new ATOM 341 N GLY A 26 9.824 6.710 5.050 1.00 0.00 N ATOM 342 CA GLY A 26 9.558 8.131 5.172 1.00 0.00 C ATOM 343 C GLY A 26 8.766 8.667 3.996 1.00 0.00 C ATOM 344 O GLY A 26 7.796 9.407 4.174 1.00 0.00 O ATOM 0 H GLY A 26 10.812 6.462 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.008 8.318 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.502 8.671 5.249 1.00 0.00 H new ATOM 348 N TYR A 27 9.181 8.291 2.788 1.00 0.00 N ATOM 349 CA TYR A 27 8.502 8.735 1.577 1.00 0.00 C ATOM 350 C TYR A 27 7.037 8.313 1.593 1.00 0.00 C ATOM 351 O TYR A 27 6.168 9.039 1.111 1.00 0.00 O ATOM 352 CB TYR A 27 9.195 8.171 0.334 1.00 0.00 C ATOM 353 CG TYR A 27 10.610 8.675 0.144 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.892 10.036 0.164 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.660 7.791 -0.062 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.181 10.501 -0.015 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.954 8.247 -0.240 1.00 0.00 C ATOM 358 CZ TYR A 27 13.208 9.603 -0.216 1.00 0.00 C ATOM 359 OH TYR A 27 14.493 10.062 -0.396 1.00 0.00 O ATOM 0 H TYR A 27 9.982 7.682 2.624 1.00 0.00 H new ATOM 0 HA TYR A 27 8.551 9.823 1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.212 7.083 0.401 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.606 8.427 -0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.090 10.742 0.322 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.464 6.729 -0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.383 11.562 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.760 7.546 -0.397 1.00 0.00 H new ATOM 0 HH TYR A 27 15.097 9.301 -0.524 1.00 0.00 H new ATOM 369 N LEU A 28 6.772 7.135 2.153 1.00 0.00 N ATOM 370 CA LEU A 28 5.409 6.622 2.237 1.00 0.00 C ATOM 371 C LEU A 28 4.543 7.531 3.099 1.00 0.00 C ATOM 372 O LEU A 28 3.406 7.838 2.744 1.00 0.00 O ATOM 373 CB LEU A 28 5.404 5.199 2.805 1.00 0.00 C ATOM 374 CG LEU A 28 5.993 4.126 1.886 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.023 2.778 2.590 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.194 4.031 0.592 1.00 0.00 C ATOM 0 H LEU A 28 7.481 6.521 2.554 1.00 0.00 H new ATOM 0 HA LEU A 28 4.994 6.599 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.961 5.197 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.377 4.925 3.045 1.00 0.00 H new ATOM 0 HG LEU A 28 7.016 4.411 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.445 2.028 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.637 2.850 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.009 2.489 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.628 3.263 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.160 3.771 0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.221 4.991 0.076 1.00 0.00 H new ATOM 388 N GLU A 29 5.090 7.960 4.234 1.00 0.00 N ATOM 389 CA GLU A 29 4.368 8.838 5.148 1.00 0.00 C ATOM 390 C GLU A 29 3.944 10.123 4.445 1.00 0.00 C ATOM 391 O GLU A 29 2.836 10.617 4.651 1.00 0.00 O ATOM 392 CB GLU A 29 5.232 9.168 6.367 1.00 0.00 C ATOM 393 CG GLU A 29 5.600 7.950 7.200 1.00 0.00 C ATOM 394 CD GLU A 29 6.423 8.307 8.422 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.668 8.327 8.316 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.823 8.567 9.487 1.00 0.00 O ATOM 0 H GLU A 29 6.031 7.713 4.542 1.00 0.00 H new ATOM 0 HA GLU A 29 3.472 8.315 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.146 9.658 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.700 9.881 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.689 7.442 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.159 7.247 6.582 1.00 0.00 H new ATOM 403 N ASP A 30 4.835 10.660 3.614 1.00 0.00 N ATOM 404 CA ASP A 30 4.546 11.886 2.876 1.00 0.00 C ATOM 405 C ASP A 30 3.351 11.692 1.947 1.00 0.00 C ATOM 406 O ASP A 30 2.582 12.623 1.706 1.00 0.00 O ATOM 407 CB ASP A 30 5.769 12.324 2.068 1.00 0.00 C ATOM 408 CG ASP A 30 6.944 12.695 2.951 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.964 13.833 3.466 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.845 11.849 3.127 1.00 0.00 O ATOM 0 H ASP A 30 5.759 10.267 3.436 1.00 0.00 H new ATOM 0 HA ASP A 30 4.301 12.665 3.598 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.064 11.519 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.502 13.178 1.445 1.00 0.00 H new ATOM 415 N ILE A 31 3.203 10.477 1.427 1.00 0.00 N ATOM 416 CA ILE A 31 2.103 10.158 0.524 1.00 0.00 C ATOM 417 C ILE A 31 0.799 9.972 1.295 1.00 0.00 C ATOM 418 O ILE A 31 -0.268 10.370 0.831 1.00 0.00 O ATOM 419 CB ILE A 31 2.400 8.884 -0.291 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.721 9.040 -1.048 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.260 8.591 -1.257 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.211 7.758 -1.684 1.00 0.00 C ATOM 0 H ILE A 31 3.832 9.697 1.616 1.00 0.00 H new ATOM 0 HA ILE A 31 1.996 10.998 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 31 2.490 8.042 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.598 9.796 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.482 9.409 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.487 7.688 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.337 8.445 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.140 9.430 -1.943 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.151 7.945 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.366 7.005 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.469 7.399 -2.397 1.00 0.00 H new ATOM 434 N ILE A 32 0.894 9.366 2.473 1.00 0.00 N ATOM 435 CA ILE A 32 -0.278 9.132 3.308 1.00 0.00 C ATOM 436 C ILE A 32 -0.903 10.454 3.744 1.00 0.00 C ATOM 437 O ILE A 32 -2.114 10.542 3.956 1.00 0.00 O ATOM 438 CB ILE A 32 0.081 8.298 4.556 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.654 6.943 4.136 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.139 8.109 5.448 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.239 6.149 5.285 1.00 0.00 C ATOM 0 H ILE A 32 1.770 9.028 2.871 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.998 8.574 2.709 1.00 0.00 H new ATOM 0 HB ILE A 32 0.837 8.837 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.133 6.356 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.427 7.102 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.863 7.518 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.509 9.083 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.920 7.591 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.626 5.201 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.049 6.716 5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.464 5.958 6.027 1.00 0.00 H new ATOM 453 N MET A 33 -0.069 11.482 3.871 1.00 0.00 N ATOM 454 CA MET A 33 -0.535 12.801 4.282 1.00 0.00 C ATOM 455 C MET A 33 -0.751 13.707 3.074 1.00 0.00 C ATOM 456 O MET A 33 -1.190 14.849 3.212 1.00 0.00 O ATOM 457 CB MET A 33 0.469 13.442 5.242 1.00 0.00 C ATOM 458 CG MET A 33 0.721 12.621 6.498 1.00 0.00 C ATOM 459 SD MET A 33 1.853 13.435 7.642 1.00 0.00 S ATOM 460 CE MET A 33 1.960 12.211 8.945 1.00 0.00 C ATOM 0 H MET A 33 0.934 11.426 3.695 1.00 0.00 H new ATOM 0 HA MET A 33 -1.490 12.677 4.793 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.414 13.591 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.105 14.428 5.530 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.227 12.434 7.002 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.129 11.650 6.217 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.627 12.571 9.729 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.969 12.038 9.364 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.350 11.278 8.537 1.00 0.00 H new ATOM 470 N ASP A 34 -0.437 13.191 1.890 1.00 0.00 N ATOM 471 CA ASP A 34 -0.597 13.955 0.657 1.00 0.00 C ATOM 472 C ASP A 34 -2.056 14.352 0.452 1.00 0.00 C ATOM 473 O ASP A 34 -2.954 13.513 0.523 1.00 0.00 O ATOM 474 CB ASP A 34 -0.102 13.139 -0.538 1.00 0.00 C ATOM 475 CG ASP A 34 -0.045 13.957 -1.813 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.095 14.104 -2.471 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.052 14.450 -2.154 1.00 0.00 O ATOM 0 H ASP A 34 -0.071 12.248 1.758 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.001 14.864 0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.890 12.744 -0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.760 12.283 -0.688 1.00 0.00 H new ATOM 482 N ASP A 35 -2.282 15.637 0.194 1.00 0.00 N ATOM 483 CA ASP A 35 -3.630 16.158 -0.012 1.00 0.00 C ATOM 484 C ASP A 35 -4.357 15.406 -1.124 1.00 0.00 C ATOM 485 O ASP A 35 -5.526 15.046 -0.979 1.00 0.00 O ATOM 486 CB ASP A 35 -3.575 17.651 -0.341 1.00 0.00 C ATOM 487 CG ASP A 35 -4.953 18.253 -0.539 1.00 0.00 C ATOM 488 OD1 ASP A 35 -5.579 18.647 0.468 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.407 18.330 -1.700 1.00 0.00 O ATOM 0 H ASP A 35 -1.546 16.339 0.122 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.187 16.012 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.064 18.179 0.464 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.984 17.799 -1.245 1.00 0.00 H new ATOM 494 N GLU A 36 -3.661 15.167 -2.231 1.00 0.00 N ATOM 495 CA GLU A 36 -4.251 14.462 -3.365 1.00 0.00 C ATOM 496 C GLU A 36 -4.563 13.012 -3.011 1.00 0.00 C ATOM 497 O GLU A 36 -5.502 12.424 -3.547 1.00 0.00 O ATOM 498 CB GLU A 36 -3.313 14.511 -4.573 1.00 0.00 C ATOM 499 CG GLU A 36 -3.029 15.921 -5.067 1.00 0.00 C ATOM 500 CD GLU A 36 -4.287 16.653 -5.495 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.720 16.463 -6.651 1.00 0.00 O ATOM 502 OE2 GLU A 36 -4.838 17.415 -4.673 1.00 0.00 O ATOM 0 H GLU A 36 -2.691 15.450 -2.367 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.185 14.963 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.371 14.030 -4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.751 13.932 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.535 16.486 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.336 15.875 -5.907 1.00 0.00 H new ATOM 509 N PHE A 37 -3.774 12.440 -2.108 1.00 0.00 N ATOM 510 CA PHE A 37 -3.973 11.057 -1.689 1.00 0.00 C ATOM 511 C PHE A 37 -5.239 10.918 -0.848 1.00 0.00 C ATOM 512 O PHE A 37 -6.005 9.970 -1.019 1.00 0.00 O ATOM 513 CB PHE A 37 -2.761 10.559 -0.898 1.00 0.00 C ATOM 514 CG PHE A 37 -2.906 9.148 -0.400 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.799 8.077 -1.271 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.148 8.896 0.941 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.933 6.780 -0.815 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.283 7.601 1.403 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.176 6.542 0.524 1.00 0.00 C ATOM 0 H PHE A 37 -2.992 12.911 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.086 10.447 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.874 10.623 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.596 11.220 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.609 8.258 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.232 9.721 1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.848 5.953 -1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.472 7.417 2.450 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.282 5.529 0.883 1.00 0.00 H new ATOM 529 N GLN A 38 -5.452 11.866 0.059 1.00 0.00 N ATOM 530 CA GLN A 38 -6.625 11.847 0.925 1.00 0.00 C ATOM 531 C GLN A 38 -7.908 12.034 0.119 1.00 0.00 C ATOM 532 O GLN A 38 -8.873 11.290 0.290 1.00 0.00 O ATOM 533 CB GLN A 38 -6.515 12.942 1.988 1.00 0.00 C ATOM 534 CG GLN A 38 -5.307 12.788 2.897 1.00 0.00 C ATOM 535 CD GLN A 38 -5.198 13.904 3.917 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.203 14.477 4.340 1.00 0.00 O ATOM 537 NE2 GLN A 38 -3.972 14.218 4.322 1.00 0.00 N ATOM 0 H GLN A 38 -4.827 12.657 0.213 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.666 10.873 1.414 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.466 13.913 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.420 12.939 2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.367 11.831 3.416 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.401 12.765 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.167 13.718 3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.836 14.959 5.009 1.00 0.00 H new ATOM 546 N LEU A 39 -7.911 13.033 -0.757 1.00 0.00 N ATOM 547 CA LEU A 39 -9.074 13.321 -1.590 1.00 0.00 C ATOM 548 C LEU A 39 -9.397 12.148 -2.513 1.00 0.00 C ATOM 549 O LEU A 39 -10.562 11.793 -2.695 1.00 0.00 O ATOM 550 CB LEU A 39 -8.828 14.588 -2.414 1.00 0.00 C ATOM 551 CG LEU A 39 -9.931 14.943 -3.415 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.233 16.433 -3.369 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.527 14.528 -4.821 1.00 0.00 C ATOM 0 H LEU A 39 -7.120 13.658 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.930 13.479 -0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.698 15.427 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.891 14.471 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.834 14.398 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.019 16.667 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.563 16.707 -2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.333 16.995 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.322 14.788 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.611 15.047 -5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.357 13.452 -4.848 1.00 0.00 H new ATOM 565 N LEU A 40 -8.360 11.548 -3.086 1.00 0.00 N ATOM 566 CA LEU A 40 -8.533 10.421 -3.997 1.00 0.00 C ATOM 567 C LEU A 40 -8.923 9.150 -3.246 1.00 0.00 C ATOM 568 O LEU A 40 -9.617 8.288 -3.788 1.00 0.00 O ATOM 569 CB LEU A 40 -7.243 10.190 -4.794 1.00 0.00 C ATOM 570 CG LEU A 40 -7.246 8.958 -5.702 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.509 9.250 -7.000 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.612 7.772 -4.989 1.00 0.00 C ATOM 0 H LEU A 40 -7.389 11.823 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.344 10.664 -4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.051 11.071 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.413 10.102 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.280 8.709 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.521 8.363 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.999 10.073 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.477 9.524 -6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.622 6.904 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.583 8.015 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.177 7.547 -4.084 1.00 0.00 H new ATOM 584 N GLN A 41 -8.483 9.039 -1.998 1.00 0.00 N ATOM 585 CA GLN A 41 -8.779 7.863 -1.185 1.00 0.00 C ATOM 586 C GLN A 41 -10.271 7.755 -0.877 1.00 0.00 C ATOM 587 O GLN A 41 -10.866 6.688 -1.022 1.00 0.00 O ATOM 588 CB GLN A 41 -7.981 7.903 0.120 1.00 0.00 C ATOM 589 CG GLN A 41 -8.162 6.665 0.985 1.00 0.00 C ATOM 590 CD GLN A 41 -7.616 5.411 0.331 1.00 0.00 C ATOM 591 OE1 GLN A 41 -8.327 4.714 -0.393 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.347 5.116 0.586 1.00 0.00 N ATOM 0 H GLN A 41 -7.921 9.747 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.487 6.984 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.923 8.020 -0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.280 8.782 0.692 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.662 6.818 1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.222 6.527 1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.794 5.722 1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.925 4.283 0.176 1.00 0.00 H new ATOM 601 N ARG A 42 -10.873 8.863 -0.455 1.00 0.00 N ATOM 602 CA ARG A 42 -12.291 8.880 -0.112 1.00 0.00 C ATOM 603 C ARG A 42 -13.174 8.846 -1.357 1.00 0.00 C ATOM 604 O ARG A 42 -14.264 8.276 -1.334 1.00 0.00 O ATOM 605 CB ARG A 42 -12.622 10.113 0.732 1.00 0.00 C ATOM 606 CG ARG A 42 -12.228 9.977 2.195 1.00 0.00 C ATOM 607 CD ARG A 42 -10.717 9.930 2.371 1.00 0.00 C ATOM 608 NE ARG A 42 -10.333 9.772 3.770 1.00 0.00 N ATOM 609 CZ ARG A 42 -9.088 9.532 4.172 1.00 0.00 C ATOM 610 NH1 ARG A 42 -8.109 9.419 3.283 1.00 0.00 N ATOM 611 NH2 ARG A 42 -8.821 9.403 5.464 1.00 0.00 N ATOM 0 H ARG A 42 -10.401 9.760 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.497 7.981 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.115 10.980 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.693 10.308 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.634 10.816 2.760 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.670 9.070 2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.310 9.104 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.278 10.846 1.976 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.061 9.850 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.310 9.516 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.155 9.235 3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.571 9.488 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.866 9.219 5.772 1.00 0.00 H new ATOM 625 N ASN A 43 -12.702 9.456 -2.439 1.00 0.00 N ATOM 626 CA ASN A 43 -13.465 9.494 -3.684 1.00 0.00 C ATOM 627 C ASN A 43 -13.731 8.090 -4.219 1.00 0.00 C ATOM 628 O ASN A 43 -14.860 7.760 -4.584 1.00 0.00 O ATOM 629 CB ASN A 43 -12.732 10.321 -4.741 1.00 0.00 C ATOM 630 CG ASN A 43 -12.851 11.812 -4.492 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.828 12.278 -3.905 1.00 0.00 O ATOM 632 ND2 ASN A 43 -11.858 12.567 -4.941 1.00 0.00 N ATOM 0 H ASN A 43 -11.799 9.929 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.424 9.964 -3.464 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.679 10.040 -4.752 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.135 10.086 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.884 13.578 -4.805 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.068 12.137 -5.422 1.00 0.00 H new ATOM 639 N PHE A 44 -12.689 7.265 -4.267 1.00 0.00 N ATOM 640 CA PHE A 44 -12.821 5.901 -4.766 1.00 0.00 C ATOM 641 C PHE A 44 -13.489 4.992 -3.738 1.00 0.00 C ATOM 642 O PHE A 44 -14.440 4.281 -4.058 1.00 0.00 O ATOM 643 CB PHE A 44 -11.454 5.339 -5.161 1.00 0.00 C ATOM 644 CG PHE A 44 -11.005 5.776 -6.526 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.268 6.937 -6.691 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.324 5.024 -7.646 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.857 7.341 -7.949 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.916 5.422 -8.904 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.183 6.582 -9.057 1.00 0.00 C ATOM 0 H PHE A 44 -11.747 7.517 -3.967 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.458 5.933 -5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.714 5.652 -4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.494 4.250 -5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.011 7.534 -5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.898 4.116 -7.534 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.282 8.248 -8.065 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.170 4.826 -9.768 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.865 6.896 -10.040 1.00 0.00 H new ATOM 659 N MET A 45 -12.994 5.020 -2.504 1.00 0.00 N ATOM 660 CA MET A 45 -13.553 4.190 -1.440 1.00 0.00 C ATOM 661 C MET A 45 -15.047 4.448 -1.263 1.00 0.00 C ATOM 662 O MET A 45 -15.778 3.589 -0.771 1.00 0.00 O ATOM 663 CB MET A 45 -12.821 4.442 -0.120 1.00 0.00 C ATOM 664 CG MET A 45 -11.426 3.841 -0.073 1.00 0.00 C ATOM 665 SD MET A 45 -10.648 4.013 1.544 1.00 0.00 S ATOM 666 CE MET A 45 -11.773 3.066 2.568 1.00 0.00 C ATOM 0 H MET A 45 -12.210 5.606 -2.216 1.00 0.00 H new ATOM 0 HA MET A 45 -13.417 3.148 -1.729 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.750 5.517 0.047 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.412 4.031 0.698 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.481 2.784 -0.334 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.802 4.323 -0.825 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.202 2.433 3.247 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.399 3.746 3.146 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.404 2.442 1.935 1.00 0.00 H new ATOM 676 N ASP A 46 -15.492 5.635 -1.663 1.00 0.00 N ATOM 677 CA ASP A 46 -16.900 6.009 -1.547 1.00 0.00 C ATOM 678 C ASP A 46 -17.795 5.045 -2.323 1.00 0.00 C ATOM 679 O ASP A 46 -18.939 4.804 -1.940 1.00 0.00 O ATOM 680 CB ASP A 46 -17.111 7.437 -2.054 1.00 0.00 C ATOM 681 CG ASP A 46 -18.562 7.869 -1.987 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.296 7.644 -2.972 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.965 8.435 -0.949 1.00 0.00 O ATOM 0 H ASP A 46 -14.898 6.357 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.175 5.956 -0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.504 8.122 -1.463 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.761 7.509 -3.084 1.00 0.00 H new ATOM 688 N LYS A 47 -17.269 4.500 -3.415 1.00 0.00 N ATOM 689 CA LYS A 47 -18.022 3.568 -4.248 1.00 0.00 C ATOM 690 C LYS A 47 -17.675 2.121 -3.906 1.00 0.00 C ATOM 691 O LYS A 47 -18.546 1.253 -3.877 1.00 0.00 O ATOM 692 CB LYS A 47 -17.732 3.832 -5.726 1.00 0.00 C ATOM 693 CG LYS A 47 -18.175 5.208 -6.203 1.00 0.00 C ATOM 694 CD LYS A 47 -19.689 5.326 -6.252 1.00 0.00 C ATOM 695 CE LYS A 47 -20.123 6.696 -6.744 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.601 6.792 -6.898 1.00 0.00 N ATOM 0 H LYS A 47 -16.322 4.688 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.083 3.723 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.662 3.724 -5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.232 3.071 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.772 5.971 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.763 5.400 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.094 4.557 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.102 5.147 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.781 7.458 -6.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.645 6.906 -7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.854 7.743 -7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -21.925 6.083 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.058 6.618 -5.980 1.00 0.00 H new ATOM 710 N TYR A 48 -16.395 1.872 -3.657 1.00 0.00 N ATOM 711 CA TYR A 48 -15.918 0.531 -3.325 1.00 0.00 C ATOM 712 C TYR A 48 -16.653 -0.057 -2.123 1.00 0.00 C ATOM 713 O TYR A 48 -17.124 -1.193 -2.173 1.00 0.00 O ATOM 714 CB TYR A 48 -14.416 0.559 -3.041 1.00 0.00 C ATOM 715 CG TYR A 48 -13.557 0.556 -4.285 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.654 1.573 -5.225 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.645 -0.467 -4.517 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.870 1.572 -6.362 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.856 -0.474 -5.651 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.972 0.547 -6.570 1.00 0.00 C ATOM 721 OH TYR A 48 -11.187 0.543 -7.699 1.00 0.00 O ATOM 0 H TYR A 48 -15.664 2.583 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.120 -0.105 -4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.184 1.447 -2.453 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.156 -0.305 -2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.355 2.379 -5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.552 -1.269 -3.800 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.960 2.370 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.152 -1.276 -5.817 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.251 0.401 -7.446 1.00 0.00 H new ATOM 731 N TYR A 49 -16.750 0.715 -1.044 1.00 0.00 N ATOM 732 CA TYR A 49 -17.414 0.244 0.168 1.00 0.00 C ATOM 733 C TYR A 49 -18.902 -0.009 -0.072 1.00 0.00 C ATOM 734 O TYR A 49 -19.566 -0.660 0.734 1.00 0.00 O ATOM 735 CB TYR A 49 -17.206 1.245 1.315 1.00 0.00 C ATOM 736 CG TYR A 49 -18.378 2.168 1.574 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.572 3.311 0.808 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.284 1.899 2.592 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.636 4.159 1.049 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.350 2.742 2.839 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.522 3.870 2.066 1.00 0.00 C ATOM 742 OH TYR A 49 -21.583 4.711 2.308 1.00 0.00 O ATOM 0 H TYR A 49 -16.380 1.664 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.963 -0.707 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.990 0.690 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.327 1.850 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.880 3.540 0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.153 1.016 3.200 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.773 5.043 0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.046 2.518 3.634 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.112 4.364 3.057 1.00 0.00 H new ATOM 752 N LEU A 50 -19.422 0.507 -1.184 1.00 0.00 N ATOM 753 CA LEU A 50 -20.830 0.324 -1.523 1.00 0.00 C ATOM 754 C LEU A 50 -21.066 -1.037 -2.171 1.00 0.00 C ATOM 755 O LEU A 50 -21.975 -1.771 -1.781 1.00 0.00 O ATOM 756 CB LEU A 50 -21.308 1.438 -2.458 1.00 0.00 C ATOM 757 CG LEU A 50 -21.357 2.834 -1.835 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.718 3.873 -2.886 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.354 2.870 -0.684 1.00 0.00 C ATOM 0 H LEU A 50 -18.891 1.053 -1.863 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.404 0.369 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.651 1.468 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.304 1.184 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.369 3.071 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.749 4.861 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.969 3.865 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.695 3.639 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.376 3.871 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.346 2.613 -1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.054 2.152 0.080 1.00 0.00 H new ATOM 771 N GLU A 51 -20.245 -1.368 -3.163 1.00 0.00 N ATOM 772 CA GLU A 51 -20.367 -2.643 -3.863 1.00 0.00 C ATOM 773 C GLU A 51 -20.020 -3.807 -2.942 1.00 0.00 C ATOM 774 O GLU A 51 -20.610 -4.884 -3.037 1.00 0.00 O ATOM 775 CB GLU A 51 -19.460 -2.663 -5.095 1.00 0.00 C ATOM 776 CG GLU A 51 -19.779 -1.571 -6.102 1.00 0.00 C ATOM 777 CD GLU A 51 -21.163 -1.719 -6.705 1.00 0.00 C ATOM 778 OE1 GLU A 51 -22.127 -1.187 -6.115 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.281 -2.367 -7.766 1.00 0.00 O ATOM 0 H GLU A 51 -19.489 -0.772 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.403 -2.754 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.423 -2.559 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.546 -3.633 -5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.701 -0.599 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.036 -1.589 -6.899 1.00 0.00 H new ATOM 786 N PHE A 52 -19.060 -3.582 -2.050 1.00 0.00 N ATOM 787 CA PHE A 52 -18.636 -4.611 -1.109 1.00 0.00 C ATOM 788 C PHE A 52 -19.667 -4.790 0.000 1.00 0.00 C ATOM 789 O PHE A 52 -19.577 -4.161 1.054 1.00 0.00 O ATOM 790 CB PHE A 52 -17.275 -4.256 -0.508 1.00 0.00 C ATOM 791 CG PHE A 52 -16.114 -4.595 -1.400 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.988 -4.013 -2.652 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.149 -5.499 -0.986 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.921 -4.327 -3.473 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.081 -5.816 -1.802 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.966 -5.230 -3.047 1.00 0.00 C ATOM 0 H PHE A 52 -18.562 -2.697 -1.960 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.547 -5.551 -1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.253 -3.189 -0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.158 -4.781 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.732 -3.306 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.233 -5.961 -0.014 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.834 -3.867 -4.446 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.336 -6.522 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.131 -5.477 -3.686 1.00 0.00 H new ATOM 806 N GLU A 53 -20.653 -5.647 -0.252 1.00 0.00 N ATOM 807 CA GLU A 53 -21.704 -5.910 0.722 1.00 0.00 C ATOM 808 C GLU A 53 -21.476 -7.248 1.417 1.00 0.00 C ATOM 809 O GLU A 53 -20.868 -8.157 0.852 1.00 0.00 O ATOM 810 CB GLU A 53 -23.074 -5.905 0.041 1.00 0.00 C ATOM 811 CG GLU A 53 -23.448 -4.562 -0.560 1.00 0.00 C ATOM 812 CD GLU A 53 -24.817 -4.577 -1.213 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.814 -4.317 -0.507 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.891 -4.848 -2.430 1.00 0.00 O ATOM 0 H GLU A 53 -20.745 -6.170 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.676 -5.119 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.083 -6.661 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.833 -6.192 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.430 -3.801 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.700 -4.278 -1.300 1.00 0.00 H new ATOM 821 N ASP A 54 -21.966 -7.359 2.647 1.00 0.00 N ATOM 822 CA ASP A 54 -21.815 -8.586 3.418 1.00 0.00 C ATOM 823 C ASP A 54 -22.721 -9.687 2.873 1.00 0.00 C ATOM 824 O ASP A 54 -23.888 -9.786 3.252 1.00 0.00 O ATOM 825 CB ASP A 54 -22.131 -8.333 4.892 1.00 0.00 C ATOM 826 CG ASP A 54 -21.995 -9.586 5.734 1.00 0.00 C ATOM 827 OD1 ASP A 54 -20.856 -9.919 6.124 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.027 -10.233 6.005 1.00 0.00 O ATOM 0 H ASP A 54 -22.470 -6.615 3.130 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.779 -8.914 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.461 -7.564 5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.146 -7.946 4.982 1.00 0.00 H new ATOM 833 N THR A 55 -22.176 -10.504 1.978 1.00 0.00 N ATOM 834 CA THR A 55 -22.932 -11.599 1.382 1.00 0.00 C ATOM 835 C THR A 55 -22.112 -12.884 1.375 1.00 0.00 C ATOM 836 O THR A 55 -20.909 -12.865 1.637 1.00 0.00 O ATOM 837 CB THR A 55 -23.361 -11.270 -0.060 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.209 -10.984 -0.860 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.311 -10.082 -0.088 1.00 0.00 C ATOM 0 H THR A 55 -21.213 -10.428 1.649 1.00 0.00 H new ATOM 0 HA THR A 55 -23.824 -11.739 1.992 1.00 0.00 H new ATOM 0 HB THR A 55 -23.880 -12.138 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.490 -10.777 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.599 -9.870 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.201 -10.314 0.497 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.815 -9.209 0.337 1.00 0.00 H new ATOM 847 N GLU A 56 -22.769 -14.000 1.074 1.00 0.00 N ATOM 848 CA GLU A 56 -22.098 -15.295 1.034 1.00 0.00 C ATOM 849 C GLU A 56 -21.862 -15.744 -0.405 1.00 0.00 C ATOM 850 O GLU A 56 -21.091 -16.670 -0.657 1.00 0.00 O ATOM 851 CB GLU A 56 -22.923 -16.343 1.781 1.00 0.00 C ATOM 852 CG GLU A 56 -23.134 -16.015 3.251 1.00 0.00 C ATOM 853 CD GLU A 56 -23.943 -17.073 3.974 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.185 -16.953 4.004 1.00 0.00 O ATOM 855 OE2 GLU A 56 -23.334 -18.024 4.509 1.00 0.00 O ATOM 0 H GLU A 56 -23.765 -14.034 0.854 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.130 -15.189 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.894 -16.442 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.426 -17.310 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -22.165 -15.908 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.641 -15.054 3.336 1.00 0.00 H new ATOM 862 N GLU A 57 -22.531 -15.081 -1.343 1.00 0.00 N ATOM 863 CA GLU A 57 -22.391 -15.409 -2.757 1.00 0.00 C ATOM 864 C GLU A 57 -21.155 -14.737 -3.347 1.00 0.00 C ATOM 865 O GLU A 57 -20.901 -13.558 -3.100 1.00 0.00 O ATOM 866 CB GLU A 57 -23.639 -14.977 -3.530 1.00 0.00 C ATOM 867 CG GLU A 57 -23.597 -15.342 -5.005 1.00 0.00 C ATOM 868 CD GLU A 57 -24.862 -14.945 -5.741 1.00 0.00 C ATOM 869 OE1 GLU A 57 -24.944 -13.785 -6.195 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.768 -15.795 -5.864 1.00 0.00 O ATOM 0 H GLU A 57 -23.175 -14.314 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.275 -16.489 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.516 -15.438 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.760 -13.898 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -22.741 -14.854 -5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -23.445 -16.417 -5.105 1.00 0.00 H new ATOM 877 N ASN A 58 -20.389 -15.495 -4.127 1.00 0.00 N ATOM 878 CA ASN A 58 -19.180 -14.970 -4.751 1.00 0.00 C ATOM 879 C ASN A 58 -19.491 -14.365 -6.114 1.00 0.00 C ATOM 880 O ASN A 58 -19.834 -15.078 -7.058 1.00 0.00 O ATOM 881 CB ASN A 58 -18.134 -16.078 -4.896 1.00 0.00 C ATOM 882 CG ASN A 58 -16.832 -15.570 -5.484 1.00 0.00 C ATOM 883 OD1 ASN A 58 -16.653 -15.548 -6.701 1.00 0.00 O ATOM 884 ND2 ASN A 58 -15.911 -15.164 -4.617 1.00 0.00 N ATOM 0 H ASN A 58 -20.584 -16.473 -4.341 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.780 -14.185 -4.109 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.940 -16.521 -3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.532 -16.869 -5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.013 -14.816 -4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.102 -15.200 -3.616 1.00 0.00 H new ATOM 891 N LYS A 59 -19.372 -13.044 -6.210 1.00 0.00 N ATOM 892 CA LYS A 59 -19.642 -12.338 -7.458 1.00 0.00 C ATOM 893 C LYS A 59 -18.359 -12.131 -8.257 1.00 0.00 C ATOM 894 O LYS A 59 -17.278 -11.983 -7.686 1.00 0.00 O ATOM 895 CB LYS A 59 -20.303 -10.990 -7.168 1.00 0.00 C ATOM 896 CG LYS A 59 -21.641 -11.111 -6.457 1.00 0.00 C ATOM 897 CD LYS A 59 -22.203 -9.750 -6.075 1.00 0.00 C ATOM 898 CE LYS A 59 -22.537 -8.914 -7.302 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.512 -9.602 -8.193 1.00 0.00 N ATOM 0 H LYS A 59 -19.090 -12.440 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.321 -12.948 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.630 -10.388 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.447 -10.455 -8.107 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.350 -11.629 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.523 -11.720 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.100 -9.883 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.479 -9.218 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.947 -7.954 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.623 -8.703 -7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -23.919 -8.915 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.027 -10.353 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.272 -10.019 -7.619 1.00 0.00 H new ATOM 913 N LEU A 60 -18.488 -12.124 -9.582 1.00 0.00 N ATOM 914 CA LEU A 60 -17.339 -11.935 -10.461 1.00 0.00 C ATOM 915 C LEU A 60 -16.969 -10.460 -10.572 1.00 0.00 C ATOM 916 O LEU A 60 -15.896 -10.118 -11.067 1.00 0.00 O ATOM 917 CB LEU A 60 -17.627 -12.507 -11.853 1.00 0.00 C ATOM 918 CG LEU A 60 -17.621 -14.035 -11.948 1.00 0.00 C ATOM 919 CD1 LEU A 60 -18.831 -14.627 -11.242 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.584 -14.476 -13.404 1.00 0.00 C ATOM 0 H LEU A 60 -19.376 -12.247 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.495 -12.470 -10.025 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.600 -12.143 -12.183 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.887 -12.113 -12.549 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.724 -14.404 -11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.804 -15.714 -11.323 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.814 -14.341 -10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -19.743 -14.251 -11.706 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.580 -15.565 -13.454 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.462 -14.092 -13.923 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.683 -14.088 -13.879 1.00 0.00 H new ATOM 932 N ILE A 61 -17.863 -9.590 -10.110 1.00 0.00 N ATOM 933 CA ILE A 61 -17.627 -8.151 -10.160 1.00 0.00 C ATOM 934 C ILE A 61 -16.449 -7.759 -9.271 1.00 0.00 C ATOM 935 O ILE A 61 -15.874 -6.677 -9.418 1.00 0.00 O ATOM 936 CB ILE A 61 -18.882 -7.361 -9.727 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.707 -5.868 -10.018 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.175 -7.585 -8.250 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.677 -5.538 -11.495 1.00 0.00 C ATOM 0 H ILE A 61 -18.757 -9.857 -9.697 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.393 -7.899 -11.194 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.731 -7.727 -10.305 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.521 -5.317 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.781 -5.523 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.063 -7.020 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.347 -8.646 -8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.325 -7.250 -7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.551 -4.463 -11.625 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.846 -6.061 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.613 -5.852 -11.957 1.00 0.00 H new ATOM 951 N TYR A 62 -16.085 -8.651 -8.356 1.00 0.00 N ATOM 952 CA TYR A 62 -14.976 -8.401 -7.442 1.00 0.00 C ATOM 953 C TYR A 62 -13.635 -8.436 -8.171 1.00 0.00 C ATOM 954 O TYR A 62 -12.664 -7.831 -7.720 1.00 0.00 O ATOM 955 CB TYR A 62 -14.978 -9.429 -6.308 1.00 0.00 C ATOM 956 CG TYR A 62 -16.011 -9.155 -5.237 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.297 -9.671 -5.335 1.00 0.00 C ATOM 958 CD2 TYR A 62 -15.698 -8.383 -4.124 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.241 -9.425 -4.357 1.00 0.00 C ATOM 960 CE2 TYR A 62 -16.637 -8.133 -3.141 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.907 -8.656 -3.263 1.00 0.00 C ATOM 962 OH TYR A 62 -18.844 -8.409 -2.286 1.00 0.00 O ATOM 0 H TYR A 62 -16.542 -9.554 -8.227 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.110 -7.404 -7.024 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.157 -10.419 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.990 -9.452 -5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.563 -10.275 -6.190 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.704 -7.972 -4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.237 -9.833 -4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.377 -7.532 -2.282 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.446 -7.852 -1.585 1.00 0.00 H new ATOM 972 N THR A 63 -13.583 -9.144 -9.297 1.00 0.00 N ATOM 973 CA THR A 63 -12.348 -9.251 -10.070 1.00 0.00 C ATOM 974 C THR A 63 -11.965 -7.914 -10.718 1.00 0.00 C ATOM 975 O THR A 63 -10.838 -7.449 -10.545 1.00 0.00 O ATOM 976 CB THR A 63 -12.447 -10.341 -11.158 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.799 -11.595 -10.563 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.129 -10.485 -11.907 1.00 0.00 C ATOM 0 H THR A 63 -14.376 -9.649 -9.692 1.00 0.00 H new ATOM 0 HA THR A 63 -11.568 -9.533 -9.363 1.00 0.00 H new ATOM 0 HB THR A 63 -13.219 -10.043 -11.868 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.862 -12.281 -11.260 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.226 -11.259 -12.668 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.876 -9.538 -12.383 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.341 -10.761 -11.207 1.00 0.00 H new ATOM 986 N PRO A 64 -12.885 -7.270 -11.472 1.00 0.00 N ATOM 987 CA PRO A 64 -12.599 -5.984 -12.120 1.00 0.00 C ATOM 988 C PRO A 64 -12.382 -4.860 -11.110 1.00 0.00 C ATOM 989 O PRO A 64 -11.495 -4.024 -11.282 1.00 0.00 O ATOM 990 CB PRO A 64 -13.849 -5.713 -12.962 1.00 0.00 C ATOM 991 CG PRO A 64 -14.925 -6.509 -12.313 1.00 0.00 C ATOM 992 CD PRO A 64 -14.252 -7.736 -11.767 1.00 0.00 C ATOM 0 HA PRO A 64 -11.680 -6.023 -12.705 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.095 -4.651 -12.974 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.702 -6.018 -13.998 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.407 -5.940 -11.518 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.702 -6.775 -13.030 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.753 -8.105 -10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.252 -8.551 -12.491 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.198 -4.843 -10.057 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.080 -3.820 -9.022 1.00 0.00 C ATOM 1002 C ILE A 65 -11.734 -3.915 -8.310 1.00 0.00 C ATOM 1003 O ILE A 65 -11.054 -2.909 -8.107 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.214 -3.934 -7.982 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.574 -3.739 -8.655 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -14.015 -2.916 -6.866 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.750 -3.943 -7.721 1.00 0.00 C ATOM 0 H ILE A 65 -13.943 -5.522 -9.899 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.157 -2.854 -9.521 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.187 -4.932 -7.544 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.622 -2.733 -9.072 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.659 -4.434 -9.490 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.823 -3.009 -6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -13.061 -3.099 -6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.019 -1.910 -7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.680 -3.788 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.727 -4.958 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.690 -3.230 -6.899 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.358 -5.133 -7.931 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.092 -5.363 -7.243 1.00 0.00 C ATOM 1021 C PHE A 66 -8.917 -4.913 -8.107 1.00 0.00 C ATOM 1022 O PHE A 66 -8.024 -4.209 -7.636 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.945 -6.844 -6.889 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.674 -7.168 -6.155 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.570 -6.946 -4.791 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.584 -7.694 -6.830 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.402 -7.242 -4.114 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.414 -7.993 -6.158 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.323 -7.767 -4.799 1.00 0.00 C ATOM 0 H PHE A 66 -11.912 -5.975 -8.089 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.090 -4.776 -6.325 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.795 -7.148 -6.277 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.985 -7.433 -7.805 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.411 -6.537 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.650 -7.872 -7.893 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.333 -7.063 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.572 -8.403 -6.695 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.410 -8.000 -4.272 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.927 -5.327 -9.371 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.862 -4.965 -10.301 1.00 0.00 C ATOM 1041 C ASN A 67 -7.790 -3.453 -10.478 1.00 0.00 C ATOM 1042 O ASN A 67 -6.724 -2.898 -10.743 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.085 -5.643 -11.655 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.086 -7.156 -11.552 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.438 -7.731 -10.676 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.814 -7.810 -12.449 1.00 0.00 N ATOM 0 H ASN A 67 -9.659 -5.912 -9.774 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.915 -5.309 -9.885 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.035 -5.310 -12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.304 -5.329 -12.348 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.852 -8.829 -12.430 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.335 -7.293 -13.157 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.934 -2.791 -10.329 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.002 -1.342 -10.467 1.00 0.00 C ATOM 1055 C GLU A 68 -8.245 -0.658 -9.334 1.00 0.00 C ATOM 1056 O GLU A 68 -7.580 0.354 -9.541 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.460 -0.877 -10.477 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.623 0.612 -10.740 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.123 1.019 -12.111 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -8.921 1.331 -12.237 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -10.935 1.028 -13.061 1.00 0.00 O ATOM 0 H GLU A 68 -9.826 -3.236 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.536 -1.067 -11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.005 -1.434 -11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.917 -1.120 -9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.675 0.881 -10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.082 1.173 -9.978 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.355 -1.220 -8.135 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.680 -0.672 -6.963 1.00 0.00 C ATOM 1070 C TYR A 69 -6.169 -0.871 -7.067 1.00 0.00 C ATOM 1071 O TYR A 69 -5.386 -0.020 -6.641 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.213 -1.342 -5.695 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.734 -0.703 -4.410 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.435 0.349 -3.834 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.589 -1.159 -3.768 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -8.007 0.931 -2.656 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.154 -0.581 -2.589 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.867 0.462 -2.038 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.438 1.038 -0.863 1.00 0.00 O ATOM 0 H TYR A 69 -8.907 -2.057 -7.949 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.882 0.398 -6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.303 -1.319 -5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.916 -2.391 -5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.329 0.718 -4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.030 -1.978 -4.196 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.563 1.749 -2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.261 -0.945 -2.103 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.621 0.590 -0.558 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.774 -2.004 -7.636 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.363 -2.331 -7.807 1.00 0.00 C ATOM 1091 C ILE A 70 -3.734 -1.500 -8.923 1.00 0.00 C ATOM 1092 O ILE A 70 -2.537 -1.219 -8.903 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.173 -3.831 -8.120 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.779 -4.693 -7.006 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.698 -4.158 -8.313 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.131 -4.491 -5.649 1.00 0.00 C ATOM 0 H ILE A 70 -6.415 -2.715 -7.988 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.865 -2.097 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.695 -4.057 -9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.843 -4.470 -6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.693 -5.743 -7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.586 -5.220 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.301 -3.572 -9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.150 -3.916 -7.403 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.615 -5.135 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.072 -4.742 -5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.240 -3.450 -5.345 1.00 0.00 H new ATOM 1108 N SER A 71 -4.542 -1.117 -9.903 1.00 0.00 N ATOM 1109 CA SER A 71 -4.049 -0.328 -11.025 1.00 0.00 C ATOM 1110 C SER A 71 -4.160 1.170 -10.750 1.00 0.00 C ATOM 1111 O SER A 71 -3.406 1.965 -11.307 1.00 0.00 O ATOM 1112 CB SER A 71 -4.821 -0.680 -12.297 1.00 0.00 C ATOM 1113 OG SER A 71 -4.362 0.081 -13.402 1.00 0.00 O ATOM 0 H SER A 71 -5.537 -1.338 -9.944 1.00 0.00 H new ATOM 0 HA SER A 71 -2.995 -0.569 -11.161 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.708 -1.743 -12.512 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.884 -0.497 -12.143 1.00 0.00 H new ATOM 0 HG SER A 71 -4.871 -0.165 -14.203 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.112 1.553 -9.904 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.316 2.962 -9.577 1.00 0.00 C ATOM 1121 C LEU A 72 -4.490 3.399 -8.365 1.00 0.00 C ATOM 1122 O LEU A 72 -3.612 4.257 -8.476 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.808 3.229 -9.328 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.216 4.699 -9.130 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.009 5.133 -7.685 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.452 5.614 -10.080 1.00 0.00 C ATOM 0 H LEU A 72 -5.751 0.912 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.976 3.551 -10.429 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.372 2.828 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.113 2.668 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.278 4.782 -9.362 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.305 6.176 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.616 4.510 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.958 5.024 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.761 6.647 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.382 5.521 -9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.666 5.329 -11.110 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.768 2.798 -7.210 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.077 3.155 -5.971 1.00 0.00 C ATOM 1140 C VAL A 73 -2.637 2.648 -5.927 1.00 0.00 C ATOM 1141 O VAL A 73 -1.700 3.441 -5.825 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.832 2.627 -4.736 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.143 3.068 -3.453 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.278 3.097 -4.760 1.00 0.00 C ATOM 0 H VAL A 73 -5.466 2.062 -7.105 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.054 4.245 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.823 1.537 -4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.693 2.684 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.125 2.680 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.117 4.157 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.799 2.716 -3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.307 4.187 -4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.766 2.725 -5.661 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.463 1.331 -5.996 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.130 0.734 -5.937 1.00 0.00 C ATOM 1156 C GLU A 74 -0.187 1.369 -6.956 1.00 0.00 C ATOM 1157 O GLU A 74 0.996 1.569 -6.676 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.205 -0.777 -6.163 1.00 0.00 C ATOM 1159 CG GLU A 74 0.135 -1.482 -6.021 1.00 0.00 C ATOM 1160 CD GLU A 74 0.048 -2.965 -6.318 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.267 -3.740 -5.392 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.298 -3.352 -7.480 1.00 0.00 O ATOM 0 H GLU A 74 -3.224 0.659 -6.092 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.730 0.924 -4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.910 -1.208 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.602 -0.967 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.857 -1.022 -6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.511 -1.340 -5.008 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.710 1.684 -8.136 1.00 0.00 N ATOM 1170 CA LYS A 75 0.100 2.298 -9.182 1.00 0.00 C ATOM 1171 C LYS A 75 0.450 3.735 -8.810 1.00 0.00 C ATOM 1172 O LYS A 75 1.548 4.210 -9.097 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.639 2.264 -10.523 1.00 0.00 C ATOM 1174 CG LYS A 75 0.253 2.531 -11.729 1.00 0.00 C ATOM 1175 CD LYS A 75 0.408 4.019 -12.009 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.741 4.563 -12.846 1.00 0.00 C ATOM 1177 NZ LYS A 75 -2.036 4.522 -12.112 1.00 0.00 N ATOM 0 H LYS A 75 -1.685 1.526 -8.391 1.00 0.00 H new ATOM 0 HA LYS A 75 1.024 1.728 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.111 1.288 -10.642 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.439 3.004 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.235 2.091 -11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.168 2.039 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.459 4.562 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.350 4.194 -12.529 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.522 5.590 -13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.827 3.982 -13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.731 5.121 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.385 3.543 -12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.897 4.873 -11.143 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.492 4.421 -8.169 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.284 5.805 -7.754 1.00 0.00 C ATOM 1193 C TYR A 76 0.901 5.920 -6.798 1.00 0.00 C ATOM 1194 O TYR A 76 1.775 6.767 -6.979 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.551 6.355 -7.093 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.407 7.773 -6.582 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.255 8.839 -7.461 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.424 8.044 -5.220 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.124 10.133 -6.995 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.293 9.336 -4.746 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.144 10.377 -5.639 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.013 11.664 -5.172 1.00 0.00 O ATOM 0 H TYR A 76 -1.407 4.041 -7.926 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.061 6.395 -8.643 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.370 6.319 -7.812 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.828 5.706 -6.262 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.239 8.653 -8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.542 7.231 -4.519 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.006 10.950 -7.691 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.307 9.529 -3.684 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.049 11.662 -4.193 1.00 0.00 H new ATOM 1212 N ILE A 77 0.925 5.062 -5.780 1.00 0.00 N ATOM 1213 CA ILE A 77 2.004 5.072 -4.795 1.00 0.00 C ATOM 1214 C ILE A 77 3.354 4.790 -5.447 1.00 0.00 C ATOM 1215 O ILE A 77 4.340 5.478 -5.179 1.00 0.00 O ATOM 1216 CB ILE A 77 1.766 4.028 -3.684 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.354 4.162 -3.110 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.807 4.181 -2.583 1.00 0.00 C ATOM 1219 CD1 ILE A 77 -0.011 3.058 -2.141 1.00 0.00 C ATOM 0 H ILE A 77 0.211 4.352 -5.616 1.00 0.00 H new ATOM 0 HA ILE A 77 2.013 6.070 -4.356 1.00 0.00 H new ATOM 0 HB ILE A 77 1.864 3.033 -4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.266 5.123 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.364 4.167 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.627 3.438 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.803 4.035 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.737 5.180 -2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.025 3.217 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.045 2.095 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.684 3.066 -1.302 1.00 0.00 H new ATOM 1231 N GLU A 78 3.388 3.774 -6.305 1.00 0.00 N ATOM 1232 CA GLU A 78 4.620 3.387 -6.989 1.00 0.00 C ATOM 1233 C GLU A 78 5.205 4.549 -7.788 1.00 0.00 C ATOM 1234 O GLU A 78 6.384 4.868 -7.659 1.00 0.00 O ATOM 1235 CB GLU A 78 4.355 2.195 -7.912 1.00 0.00 C ATOM 1236 CG GLU A 78 5.611 1.626 -8.552 1.00 0.00 C ATOM 1237 CD GLU A 78 5.331 0.394 -9.391 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.054 0.548 -10.598 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.388 -0.725 -8.839 1.00 0.00 O ATOM 0 H GLU A 78 2.577 3.203 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 78 5.349 3.102 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.860 1.409 -7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.665 2.502 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.074 2.390 -9.177 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.330 1.374 -7.772 1.00 0.00 H new ATOM 1246 N GLU A 79 4.374 5.184 -8.609 1.00 0.00 N ATOM 1247 CA GLU A 79 4.818 6.306 -9.433 1.00 0.00 C ATOM 1248 C GLU A 79 5.420 7.422 -8.582 1.00 0.00 C ATOM 1249 O GLU A 79 6.500 7.930 -8.884 1.00 0.00 O ATOM 1250 CB GLU A 79 3.649 6.854 -10.253 1.00 0.00 C ATOM 1251 CG GLU A 79 3.164 5.903 -11.334 1.00 0.00 C ATOM 1252 CD GLU A 79 4.184 5.705 -12.440 1.00 0.00 C ATOM 1253 OE1 GLU A 79 5.064 4.833 -12.284 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.102 6.423 -13.458 1.00 0.00 O ATOM 0 H GLU A 79 3.390 4.942 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 79 5.592 5.937 -10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.820 7.081 -9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.950 7.794 -10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.929 4.938 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.239 6.288 -11.763 1.00 0.00 H new ATOM 1261 N GLN A 80 4.719 7.792 -7.515 1.00 0.00 N ATOM 1262 CA GLN A 80 5.171 8.858 -6.625 1.00 0.00 C ATOM 1263 C GLN A 80 6.544 8.563 -6.026 1.00 0.00 C ATOM 1264 O GLN A 80 7.332 9.478 -5.786 1.00 0.00 O ATOM 1265 CB GLN A 80 4.155 9.068 -5.499 1.00 0.00 C ATOM 1266 CG GLN A 80 2.805 9.573 -5.980 1.00 0.00 C ATOM 1267 CD GLN A 80 2.891 10.937 -6.634 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.099 11.047 -7.842 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.728 11.986 -5.836 1.00 0.00 N ATOM 0 H GLN A 80 3.832 7.368 -7.244 1.00 0.00 H new ATOM 0 HA GLN A 80 5.256 9.765 -7.223 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.013 8.126 -4.970 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.564 9.779 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.387 8.860 -6.690 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.118 9.622 -5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.558 11.847 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.773 12.930 -6.219 1.00 0.00 H new ATOM 1278 N LEU A 81 6.829 7.288 -5.783 1.00 0.00 N ATOM 1279 CA LEU A 81 8.108 6.892 -5.197 1.00 0.00 C ATOM 1280 C LEU A 81 9.218 6.904 -6.239 1.00 0.00 C ATOM 1281 O LEU A 81 10.342 7.323 -5.966 1.00 0.00 O ATOM 1282 CB LEU A 81 7.996 5.498 -4.577 1.00 0.00 C ATOM 1283 CG LEU A 81 7.088 5.402 -3.349 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.859 3.948 -2.966 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.687 6.174 -2.182 1.00 0.00 C ATOM 0 H LEU A 81 6.196 6.513 -5.981 1.00 0.00 H new ATOM 0 HA LEU A 81 8.358 7.614 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.627 4.809 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.994 5.161 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 81 6.124 5.847 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.211 3.900 -2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.387 3.423 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.815 3.477 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.028 6.095 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.663 5.758 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.799 7.222 -2.458 1.00 0.00 H new ATOM 1297 N LEU A 82 8.885 6.445 -7.436 1.00 0.00 N ATOM 1298 CA LEU A 82 9.842 6.374 -8.531 1.00 0.00 C ATOM 1299 C LEU A 82 10.286 7.764 -8.969 1.00 0.00 C ATOM 1300 O LEU A 82 11.355 7.925 -9.559 1.00 0.00 O ATOM 1301 CB LEU A 82 9.229 5.614 -9.712 1.00 0.00 C ATOM 1302 CG LEU A 82 8.959 4.112 -9.495 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.896 3.278 -10.350 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.102 3.710 -8.032 1.00 0.00 C ATOM 0 H LEU A 82 7.951 6.113 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 82 10.724 5.839 -8.179 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.288 6.096 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.894 5.721 -10.569 1.00 0.00 H new ATOM 0 HG LEU A 82 7.927 3.924 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.693 2.220 -10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.740 3.519 -11.402 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.929 3.496 -10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.903 2.644 -7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.115 3.925 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.390 4.273 -7.429 1.00 0.00 H new ATOM 1316 N GLN A 83 9.459 8.764 -8.679 1.00 0.00 N ATOM 1317 CA GLN A 83 9.766 10.143 -9.044 1.00 0.00 C ATOM 1318 C GLN A 83 11.153 10.552 -8.558 1.00 0.00 C ATOM 1319 O GLN A 83 11.787 11.433 -9.138 1.00 0.00 O ATOM 1320 CB GLN A 83 8.715 11.085 -8.459 1.00 0.00 C ATOM 1321 CG GLN A 83 7.375 11.017 -9.172 1.00 0.00 C ATOM 1322 CD GLN A 83 7.435 11.564 -10.586 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.701 11.119 -11.467 1.00 0.00 O ATOM 1324 NE2 GLN A 83 8.313 12.538 -10.809 1.00 0.00 N ATOM 0 H GLN A 83 8.571 8.645 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 83 9.754 10.212 -10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.570 10.845 -7.406 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.090 12.107 -8.504 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.036 9.981 -9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.635 11.578 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.902 12.877 -10.049 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.397 12.946 -11.740 1.00 0.00 H new ATOM 1333 N ARG A 84 11.621 9.909 -7.493 1.00 0.00 N ATOM 1334 CA ARG A 84 12.934 10.214 -6.936 1.00 0.00 C ATOM 1335 C ARG A 84 13.857 9.001 -7.013 1.00 0.00 C ATOM 1336 O ARG A 84 15.080 9.136 -6.962 1.00 0.00 O ATOM 1337 CB ARG A 84 12.799 10.678 -5.484 1.00 0.00 C ATOM 1338 CG ARG A 84 14.111 11.142 -4.869 1.00 0.00 C ATOM 1339 CD ARG A 84 13.923 11.593 -3.430 1.00 0.00 C ATOM 1340 NE ARG A 84 15.172 12.067 -2.840 1.00 0.00 N ATOM 1341 CZ ARG A 84 15.231 12.882 -1.792 1.00 0.00 C ATOM 1342 NH1 ARG A 84 14.114 13.316 -1.222 1.00 0.00 N ATOM 1343 NH2 ARG A 84 16.406 13.267 -1.314 1.00 0.00 N ATOM 0 H ARG A 84 11.112 9.175 -7.000 1.00 0.00 H new ATOM 0 HA ARG A 84 13.374 11.017 -7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.077 11.493 -5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.396 9.861 -4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.838 10.331 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.520 11.963 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.179 12.389 -3.393 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.533 10.765 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 84 16.049 11.755 -3.256 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.208 13.024 -1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.162 13.941 -0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.267 12.938 -1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 84 16.449 13.893 -0.510 1.00 0.00 H new ATOM 1357 N ILE A 85 13.264 7.818 -7.138 1.00 0.00 N ATOM 1358 CA ILE A 85 14.033 6.582 -7.215 1.00 0.00 C ATOM 1359 C ILE A 85 13.714 5.813 -8.500 1.00 0.00 C ATOM 1360 O ILE A 85 12.769 5.025 -8.537 1.00 0.00 O ATOM 1361 CB ILE A 85 13.746 5.676 -6.002 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.865 6.478 -4.702 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.703 4.492 -5.990 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.326 5.751 -3.489 1.00 0.00 C ATOM 0 H ILE A 85 12.253 7.690 -7.188 1.00 0.00 H new ATOM 0 HA ILE A 85 15.087 6.859 -7.216 1.00 0.00 H new ATOM 0 HB ILE A 85 12.728 5.295 -6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.913 6.724 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.331 7.421 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.489 3.860 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.577 3.913 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.729 4.854 -5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.444 6.379 -2.606 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.269 5.529 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.876 4.821 -3.348 1.00 0.00 H new ATOM 1376 N PRO A 86 14.496 6.035 -9.575 1.00 0.00 N ATOM 1377 CA PRO A 86 14.281 5.357 -10.855 1.00 0.00 C ATOM 1378 C PRO A 86 14.741 3.904 -10.831 1.00 0.00 C ATOM 1379 O PRO A 86 14.543 3.162 -11.794 1.00 0.00 O ATOM 1380 CB PRO A 86 15.128 6.173 -11.830 1.00 0.00 C ATOM 1381 CG PRO A 86 16.230 6.729 -10.996 1.00 0.00 C ATOM 1382 CD PRO A 86 15.646 6.961 -9.627 1.00 0.00 C ATOM 0 HA PRO A 86 13.225 5.311 -11.120 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.516 5.550 -12.636 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.543 6.967 -12.295 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.070 6.036 -10.948 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.608 7.659 -11.421 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.370 6.745 -8.841 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.332 7.997 -9.496 1.00 0.00 H new ATOM 1390 N GLU A 87 15.355 3.506 -9.724 1.00 0.00 N ATOM 1391 CA GLU A 87 15.842 2.140 -9.563 1.00 0.00 C ATOM 1392 C GLU A 87 15.061 1.421 -8.467 1.00 0.00 C ATOM 1393 O GLU A 87 15.487 0.384 -7.961 1.00 0.00 O ATOM 1394 CB GLU A 87 17.334 2.141 -9.224 1.00 0.00 C ATOM 1395 CG GLU A 87 18.202 2.787 -10.291 1.00 0.00 C ATOM 1396 CD GLU A 87 19.674 2.775 -9.929 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.354 1.774 -10.239 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.148 3.766 -9.335 1.00 0.00 O ATOM 0 H GLU A 87 15.528 4.111 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 87 15.695 1.611 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.483 2.666 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.664 1.113 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.060 2.263 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.877 3.816 -10.445 1.00 0.00 H new ATOM 1405 N PHE A 88 13.912 1.985 -8.114 1.00 0.00 N ATOM 1406 CA PHE A 88 13.059 1.418 -7.075 1.00 0.00 C ATOM 1407 C PHE A 88 12.544 0.038 -7.470 1.00 0.00 C ATOM 1408 O PHE A 88 12.334 -0.245 -8.649 1.00 0.00 O ATOM 1409 CB PHE A 88 11.876 2.344 -6.806 1.00 0.00 C ATOM 1410 CG PHE A 88 11.118 2.003 -5.554 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.620 2.350 -4.311 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.905 1.337 -5.622 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.926 2.038 -3.156 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.207 1.023 -4.473 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.718 1.375 -3.238 1.00 0.00 C ATOM 0 H PHE A 88 13.547 2.840 -8.535 1.00 0.00 H new ATOM 0 HA PHE A 88 13.660 1.315 -6.171 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.237 3.370 -6.734 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.194 2.305 -7.656 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.564 2.870 -4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.501 1.060 -6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.328 2.312 -2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.263 0.503 -4.539 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.173 1.132 -2.338 1.00 0.00 H new ATOM 1425 N ASN A 89 12.344 -0.816 -6.471 1.00 0.00 N ATOM 1426 CA ASN A 89 11.843 -2.165 -6.703 1.00 0.00 C ATOM 1427 C ASN A 89 10.687 -2.477 -5.757 1.00 0.00 C ATOM 1428 O ASN A 89 10.893 -2.992 -4.659 1.00 0.00 O ATOM 1429 CB ASN A 89 12.963 -3.189 -6.517 1.00 0.00 C ATOM 1430 CG ASN A 89 14.131 -2.940 -7.449 1.00 0.00 C ATOM 1431 OD1 ASN A 89 15.071 -2.221 -7.109 1.00 0.00 O ATOM 1432 ND2 ASN A 89 14.078 -3.533 -8.637 1.00 0.00 N ATOM 0 H ASN A 89 12.522 -0.596 -5.491 1.00 0.00 H new ATOM 0 HA ASN A 89 11.480 -2.223 -7.729 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.312 -3.159 -5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.569 -4.190 -6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.835 -3.400 -9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 89 13.280 -4.121 -8.878 1.00 0.00 H new ATOM 1439 N MET A 90 9.472 -2.153 -6.191 1.00 0.00 N ATOM 1440 CA MET A 90 8.280 -2.389 -5.380 1.00 0.00 C ATOM 1441 C MET A 90 8.036 -3.882 -5.185 1.00 0.00 C ATOM 1442 O MET A 90 7.404 -4.294 -4.212 1.00 0.00 O ATOM 1443 CB MET A 90 7.058 -1.741 -6.036 1.00 0.00 C ATOM 1444 CG MET A 90 5.832 -1.693 -5.135 1.00 0.00 C ATOM 1445 SD MET A 90 6.093 -0.695 -3.656 1.00 0.00 S ATOM 1446 CE MET A 90 4.433 -0.636 -2.985 1.00 0.00 C ATOM 0 H MET A 90 9.286 -1.727 -7.099 1.00 0.00 H new ATOM 0 HA MET A 90 8.443 -1.938 -4.401 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.315 -0.726 -6.339 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.809 -2.291 -6.944 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.989 -1.289 -5.696 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.563 -2.707 -4.841 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.433 -0.051 -2.065 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.764 -0.172 -3.710 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.091 -1.649 -2.771 1.00 0.00 H new ATOM 1456 N ALA A 91 8.538 -4.689 -6.114 1.00 0.00 N ATOM 1457 CA ALA A 91 8.371 -6.136 -6.043 1.00 0.00 C ATOM 1458 C ALA A 91 9.155 -6.728 -4.877 1.00 0.00 C ATOM 1459 O ALA A 91 8.591 -7.413 -4.022 1.00 0.00 O ATOM 1460 CB ALA A 91 8.800 -6.782 -7.351 1.00 0.00 C ATOM 0 H ALA A 91 9.064 -4.365 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 91 7.314 -6.344 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.670 -7.862 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.190 -6.393 -8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.849 -6.554 -7.543 1.00 0.00 H new ATOM 1466 N ALA A 92 10.458 -6.462 -4.847 1.00 0.00 N ATOM 1467 CA ALA A 92 11.318 -6.972 -3.785 1.00 0.00 C ATOM 1468 C ALA A 92 11.056 -6.252 -2.467 1.00 0.00 C ATOM 1469 O ALA A 92 11.243 -6.822 -1.392 1.00 0.00 O ATOM 1470 CB ALA A 92 12.780 -6.837 -4.182 1.00 0.00 C ATOM 0 H ALA A 92 10.940 -5.897 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 92 11.086 -8.027 -3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.412 -7.221 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.964 -7.406 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.014 -5.787 -4.357 1.00 0.00 H new ATOM 1476 N PHE A 93 10.623 -4.998 -2.556 1.00 0.00 N ATOM 1477 CA PHE A 93 10.340 -4.203 -1.366 1.00 0.00 C ATOM 1478 C PHE A 93 9.153 -4.773 -0.597 1.00 0.00 C ATOM 1479 O PHE A 93 9.231 -4.981 0.613 1.00 0.00 O ATOM 1480 CB PHE A 93 10.067 -2.746 -1.748 1.00 0.00 C ATOM 1481 CG PHE A 93 9.658 -1.886 -0.584 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.532 -1.657 0.467 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.396 -1.314 -0.539 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.156 -0.871 1.540 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.015 -0.527 0.532 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.896 -0.305 1.572 1.00 0.00 C ATOM 0 H PHE A 93 10.461 -4.511 -3.438 1.00 0.00 H new ATOM 0 HA PHE A 93 11.218 -4.241 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.963 -2.324 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.282 -2.718 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.518 -2.098 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.703 -1.485 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.846 -0.699 2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.029 -0.086 0.555 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.601 0.310 2.409 1.00 0.00 H new ATOM 1496 N THR A 94 8.053 -5.021 -1.304 1.00 0.00 N ATOM 1497 CA THR A 94 6.853 -5.566 -0.680 1.00 0.00 C ATOM 1498 C THR A 94 7.109 -6.958 -0.113 1.00 0.00 C ATOM 1499 O THR A 94 6.708 -7.262 1.010 1.00 0.00 O ATOM 1500 CB THR A 94 5.678 -5.636 -1.674 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.071 -6.348 -2.852 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.201 -4.241 -2.050 1.00 0.00 C ATOM 0 H THR A 94 7.969 -4.853 -2.307 1.00 0.00 H new ATOM 0 HA THR A 94 6.589 -4.889 0.132 1.00 0.00 H new ATOM 0 HB THR A 94 4.856 -6.164 -1.191 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.577 -5.751 -3.442 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.371 -4.317 -2.753 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.871 -3.716 -1.154 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.019 -3.689 -2.513 1.00 0.00 H new ATOM 1510 N THR A 95 7.782 -7.799 -0.897 1.00 0.00 N ATOM 1511 CA THR A 95 8.091 -9.160 -0.471 1.00 0.00 C ATOM 1512 C THR A 95 8.850 -9.164 0.851 1.00 0.00 C ATOM 1513 O THR A 95 8.551 -9.952 1.749 1.00 0.00 O ATOM 1514 CB THR A 95 8.924 -9.908 -1.530 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.208 -9.962 -2.770 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.250 -11.321 -1.067 1.00 0.00 C ATOM 0 H THR A 95 8.122 -7.561 -1.829 1.00 0.00 H new ATOM 0 HA THR A 95 7.138 -9.673 -0.342 1.00 0.00 H new ATOM 0 HB THR A 95 9.858 -9.365 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.318 -9.114 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.838 -11.828 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.821 -11.277 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.324 -11.871 -0.898 1.00 0.00 H new ATOM 1524 N THR A 96 9.834 -8.277 0.964 1.00 0.00 N ATOM 1525 CA THR A 96 10.638 -8.174 2.175 1.00 0.00 C ATOM 1526 C THR A 96 9.846 -7.527 3.306 1.00 0.00 C ATOM 1527 O THR A 96 10.026 -7.863 4.474 1.00 0.00 O ATOM 1528 CB THR A 96 11.920 -7.354 1.923 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.661 -7.924 0.838 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.793 -7.313 3.169 1.00 0.00 C ATOM 0 H THR A 96 10.093 -7.618 0.230 1.00 0.00 H new ATOM 0 HA THR A 96 10.913 -9.188 2.464 1.00 0.00 H new ATOM 0 HB THR A 96 11.627 -6.335 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.286 -7.614 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.691 -6.729 2.965 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.238 -6.853 3.987 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.076 -8.328 3.448 1.00 0.00 H new ATOM 1538 N LEU A 97 8.966 -6.601 2.943 1.00 0.00 N ATOM 1539 CA LEU A 97 8.138 -5.888 3.914 1.00 0.00 C ATOM 1540 C LEU A 97 7.206 -6.843 4.657 1.00 0.00 C ATOM 1541 O LEU A 97 6.940 -6.661 5.846 1.00 0.00 O ATOM 1542 CB LEU A 97 7.317 -4.803 3.208 1.00 0.00 C ATOM 1543 CG LEU A 97 7.173 -3.484 3.972 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.417 -2.465 3.132 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.466 -3.702 5.302 1.00 0.00 C ATOM 0 H LEU A 97 8.805 -6.323 1.975 1.00 0.00 H new ATOM 0 HA LEU A 97 8.801 -5.424 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.777 -4.595 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.321 -5.198 3.008 1.00 0.00 H new ATOM 0 HG LEU A 97 8.172 -3.098 4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.323 -1.533 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.962 -2.281 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.424 -2.850 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.376 -2.751 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.473 -4.113 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.043 -4.398 5.911 1.00 0.00 H new ATOM 1557 N GLN A 98 6.713 -7.855 3.948 1.00 0.00 N ATOM 1558 CA GLN A 98 5.789 -8.827 4.530 1.00 0.00 C ATOM 1559 C GLN A 98 6.312 -9.392 5.848 1.00 0.00 C ATOM 1560 O GLN A 98 5.553 -9.549 6.805 1.00 0.00 O ATOM 1561 CB GLN A 98 5.529 -9.968 3.544 1.00 0.00 C ATOM 1562 CG GLN A 98 4.809 -9.529 2.280 1.00 0.00 C ATOM 1563 CD GLN A 98 4.456 -10.689 1.369 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.420 -10.543 0.148 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.185 -11.849 1.958 1.00 0.00 N ATOM 0 H GLN A 98 6.938 -8.024 2.968 1.00 0.00 H new ATOM 0 HA GLN A 98 4.855 -8.304 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.480 -10.424 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.938 -10.738 4.040 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.897 -8.998 2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.438 -8.824 1.736 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.227 -11.927 2.974 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.936 -12.661 1.394 1.00 0.00 H new ATOM 1574 N HIS A 99 7.602 -9.702 5.899 1.00 0.00 N ATOM 1575 CA HIS A 99 8.199 -10.244 7.112 1.00 0.00 C ATOM 1576 C HIS A 99 8.879 -9.140 7.913 1.00 0.00 C ATOM 1577 O HIS A 99 8.957 -9.204 9.142 1.00 0.00 O ATOM 1578 CB HIS A 99 9.203 -11.348 6.776 1.00 0.00 C ATOM 1579 CG HIS A 99 10.326 -10.899 5.894 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.435 -10.230 6.370 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.513 -11.033 4.561 1.00 0.00 C ATOM 1582 CE1 HIS A 99 12.254 -9.972 5.367 1.00 0.00 C ATOM 1583 NE2 HIS A 99 11.719 -10.450 4.259 1.00 0.00 N ATOM 0 H HIS A 99 8.250 -9.588 5.120 1.00 0.00 H new ATOM 0 HA HIS A 99 7.402 -10.675 7.718 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.618 -11.743 7.703 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.676 -12.168 6.288 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.597 -9.975 7.344 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.839 -11.510 3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.201 -9.457 5.441 1.00 0.00 H new ATOM 1592 N HIS A 100 9.353 -8.116 7.211 1.00 0.00 N ATOM 1593 CA HIS A 100 10.028 -6.998 7.857 1.00 0.00 C ATOM 1594 C HIS A 100 9.033 -6.164 8.653 1.00 0.00 C ATOM 1595 O HIS A 100 9.417 -5.236 9.364 1.00 0.00 O ATOM 1596 CB HIS A 100 10.732 -6.123 6.819 1.00 0.00 C ATOM 1597 CG HIS A 100 11.856 -5.311 7.386 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.674 -4.076 7.975 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.184 -5.566 7.456 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.841 -3.608 8.381 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.772 -4.493 8.078 1.00 0.00 N ATOM 0 H HIS A 100 9.282 -8.038 6.196 1.00 0.00 H new ATOM 0 HA HIS A 100 10.776 -7.400 8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.119 -6.758 6.022 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.002 -5.452 6.366 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.687 -6.449 7.091 1.00 0.00 H new ATOM 0 HE1 HIS A 100 13.005 -2.662 8.876 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.768 -4.395 8.274 1.00 0.00 H new ATOM 1610 N LYS A 101 7.752 -6.501 8.526 1.00 0.00 N ATOM 1611 CA LYS A 101 6.701 -5.789 9.240 1.00 0.00 C ATOM 1612 C LYS A 101 6.905 -5.902 10.746 1.00 0.00 C ATOM 1613 O LYS A 101 6.360 -5.114 11.519 1.00 0.00 O ATOM 1614 CB LYS A 101 5.325 -6.337 8.851 1.00 0.00 C ATOM 1615 CG LYS A 101 4.166 -5.546 9.439 1.00 0.00 C ATOM 1616 CD LYS A 101 2.820 -6.105 9.002 1.00 0.00 C ATOM 1617 CE LYS A 101 2.575 -7.494 9.572 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.227 -8.012 9.213 1.00 0.00 N ATOM 0 H LYS A 101 7.419 -7.263 7.935 1.00 0.00 H new ATOM 0 HA LYS A 101 6.750 -4.736 8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.238 -6.339 7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.250 -7.374 9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.230 -5.562 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.244 -4.504 9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.025 -5.433 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.779 -6.146 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.338 -8.178 9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.675 -7.464 10.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.100 -8.960 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.498 -7.373 9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.140 -8.065 8.178 1.00 0.00 H new ATOM 1632 N ASP A 102 7.701 -6.888 11.155 1.00 0.00 N ATOM 1633 CA ASP A 102 7.984 -7.106 12.570 1.00 0.00 C ATOM 1634 C ASP A 102 8.674 -5.889 13.182 1.00 0.00 C ATOM 1635 O ASP A 102 8.696 -5.725 14.402 1.00 0.00 O ATOM 1636 CB ASP A 102 8.858 -8.349 12.750 1.00 0.00 C ATOM 1637 CG ASP A 102 9.125 -8.662 14.210 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.321 -9.404 14.814 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.137 -8.166 14.749 1.00 0.00 O ATOM 0 H ASP A 102 8.160 -7.547 10.527 1.00 0.00 H new ATOM 0 HA ASP A 102 7.036 -7.259 13.086 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.370 -9.204 12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.806 -8.201 12.234 1.00 0.00 H new ATOM 1644 N GLU A 103 9.235 -5.038 12.326 1.00 0.00 N ATOM 1645 CA GLU A 103 9.927 -3.835 12.781 1.00 0.00 C ATOM 1646 C GLU A 103 9.119 -2.584 12.444 1.00 0.00 C ATOM 1647 O GLU A 103 8.636 -1.888 13.337 1.00 0.00 O ATOM 1648 CB GLU A 103 11.314 -3.748 12.141 1.00 0.00 C ATOM 1649 CG GLU A 103 12.146 -2.580 12.644 1.00 0.00 C ATOM 1650 CD GLU A 103 13.499 -2.492 11.964 1.00 0.00 C ATOM 1651 OE1 GLU A 103 14.436 -3.183 12.416 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.620 -1.733 10.981 1.00 0.00 O ATOM 0 H GLU A 103 9.224 -5.159 11.313 1.00 0.00 H new ATOM 0 HA GLU A 103 10.037 -3.895 13.864 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.852 -4.676 12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.201 -3.664 11.060 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.599 -1.652 12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.290 -2.678 13.720 1.00 0.00 H new ATOM 1659 N VAL A 104 8.980 -2.306 11.150 1.00 0.00 N ATOM 1660 CA VAL A 104 8.228 -1.142 10.692 1.00 0.00 C ATOM 1661 C VAL A 104 6.812 -1.148 11.260 1.00 0.00 C ATOM 1662 O VAL A 104 6.230 -2.209 11.485 1.00 0.00 O ATOM 1663 CB VAL A 104 8.164 -1.089 9.149 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.685 -2.418 8.589 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.264 0.046 8.680 1.00 0.00 C ATOM 0 H VAL A 104 9.379 -2.871 10.400 1.00 0.00 H new ATOM 0 HA VAL A 104 8.752 -0.257 11.052 1.00 0.00 H new ATOM 0 HB VAL A 104 9.170 -0.899 8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.646 -2.362 7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.374 -3.208 8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.690 -2.639 8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.236 0.062 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.256 -0.105 9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.655 0.995 9.047 1.00 0.00 H new ATOM 1675 N ALA A 105 6.266 0.044 11.495 1.00 0.00 N ATOM 1676 CA ALA A 105 4.920 0.180 12.039 1.00 0.00 C ATOM 1677 C ALA A 105 3.920 -0.667 11.260 1.00 0.00 C ATOM 1678 O ALA A 105 3.579 -0.353 10.119 1.00 0.00 O ATOM 1679 CB ALA A 105 4.492 1.640 12.031 1.00 0.00 C ATOM 0 H ALA A 105 6.738 0.930 11.316 1.00 0.00 H new ATOM 0 HA ALA A 105 4.936 -0.180 13.068 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.485 1.726 12.440 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.182 2.225 12.639 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.502 2.016 11.008 1.00 0.00 H new ATOM 1685 N GLY A 106 3.456 -1.745 11.885 1.00 0.00 N ATOM 1686 CA GLY A 106 2.499 -2.625 11.239 1.00 0.00 C ATOM 1687 C GLY A 106 1.155 -1.958 11.023 1.00 0.00 C ATOM 1688 O GLY A 106 0.450 -2.269 10.063 1.00 0.00 O ATOM 0 H GLY A 106 3.726 -2.025 12.828 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.899 -2.950 10.278 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.364 -3.520 11.847 1.00 0.00 H new ATOM 1692 N ASP A 107 0.799 -1.042 11.919 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.471 -0.329 11.824 1.00 0.00 C ATOM 1694 C ASP A 107 -0.529 0.519 10.557 1.00 0.00 C ATOM 1695 O ASP A 107 -1.554 0.562 9.875 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.676 0.557 13.054 1.00 0.00 C ATOM 1697 CG ASP A 107 -2.006 1.284 13.028 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.068 2.386 12.443 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.985 0.753 13.591 1.00 0.00 O ATOM 0 H ASP A 107 1.372 -0.776 12.719 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.270 -1.069 11.780 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.618 -0.056 13.954 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.132 1.286 13.112 1.00 0.00 H new ATOM 1704 N ILE A 108 0.574 1.194 10.247 1.00 0.00 N ATOM 1705 CA ILE A 108 0.641 2.040 9.060 1.00 0.00 C ATOM 1706 C ILE A 108 0.597 1.200 7.787 1.00 0.00 C ATOM 1707 O ILE A 108 -0.189 1.473 6.879 1.00 0.00 O ATOM 1708 CB ILE A 108 1.922 2.901 9.053 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.959 3.806 10.289 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.997 3.730 7.776 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.245 4.594 10.430 1.00 0.00 C ATOM 0 H ILE A 108 1.431 1.172 10.799 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.227 2.698 9.089 1.00 0.00 H new ATOM 0 HB ILE A 108 2.789 2.241 9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.121 4.501 10.244 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.819 3.194 11.180 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.906 4.332 7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.011 3.066 6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.128 4.386 7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.197 5.211 11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.087 3.906 10.507 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.378 5.233 9.557 1.00 0.00 H new ATOM 1723 N PHE A 109 1.440 0.174 7.731 1.00 0.00 N ATOM 1724 CA PHE A 109 1.493 -0.704 6.569 1.00 0.00 C ATOM 1725 C PHE A 109 0.190 -1.480 6.414 1.00 0.00 C ATOM 1726 O PHE A 109 -0.186 -1.848 5.303 1.00 0.00 O ATOM 1727 CB PHE A 109 2.680 -1.670 6.659 1.00 0.00 C ATOM 1728 CG PHE A 109 2.753 -2.631 5.502 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.730 -2.167 4.194 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.836 -3.998 5.720 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.788 -3.045 3.128 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.895 -4.881 4.659 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.870 -4.404 3.361 1.00 0.00 C ATOM 0 H PHE A 109 2.094 -0.069 8.475 1.00 0.00 H new ATOM 0 HA PHE A 109 1.629 -0.077 5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.605 -1.095 6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.610 -2.235 7.588 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.666 -1.105 4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.855 -4.377 6.731 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.769 -2.669 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.961 -5.943 4.843 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.915 -5.093 2.531 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.493 -1.725 7.532 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.754 -2.465 7.515 1.00 0.00 C ATOM 1745 C ASP A 110 -2.689 -1.918 6.442 1.00 0.00 C ATOM 1746 O ASP A 110 -3.506 -2.651 5.887 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.435 -2.387 8.884 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.755 -3.134 8.917 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.791 -2.522 8.586 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -3.751 -4.331 9.274 1.00 0.00 O ATOM 0 H ASP A 110 -0.195 -1.422 8.459 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.531 -3.507 7.285 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.769 -2.799 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.605 -1.342 9.143 1.00 0.00 H new ATOM 1755 N MET A 111 -2.562 -0.627 6.156 1.00 0.00 N ATOM 1756 CA MET A 111 -3.381 0.008 5.133 1.00 0.00 C ATOM 1757 C MET A 111 -2.947 -0.469 3.754 1.00 0.00 C ATOM 1758 O MET A 111 -3.761 -0.920 2.947 1.00 0.00 O ATOM 1759 CB MET A 111 -3.256 1.531 5.223 1.00 0.00 C ATOM 1760 CG MET A 111 -4.083 2.274 4.187 1.00 0.00 C ATOM 1761 SD MET A 111 -3.717 4.039 4.142 1.00 0.00 S ATOM 1762 CE MET A 111 -2.001 4.019 3.627 1.00 0.00 C ATOM 0 H MET A 111 -1.901 -0.002 6.617 1.00 0.00 H new ATOM 0 HA MET A 111 -4.423 -0.267 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.562 1.854 6.218 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.208 1.808 5.106 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.898 1.843 3.203 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.142 2.132 4.403 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.809 4.867 2.970 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.357 4.086 4.504 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.792 3.092 3.094 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.647 -0.372 3.501 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.069 -0.794 2.233 1.00 0.00 C ATOM 1774 C LEU A 112 -1.198 -2.303 2.060 1.00 0.00 C ATOM 1775 O LEU A 112 -1.185 -2.815 0.943 1.00 0.00 O ATOM 1776 CB LEU A 112 0.402 -0.379 2.164 1.00 0.00 C ATOM 1777 CG LEU A 112 0.657 1.127 2.255 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.149 1.414 2.321 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.031 1.848 1.072 1.00 0.00 C ATOM 0 H LEU A 112 -0.968 -0.001 4.166 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.614 -0.307 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.941 -0.872 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.824 -0.747 1.229 1.00 0.00 H new ATOM 0 HG LEU A 112 0.193 1.497 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.310 2.490 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.574 0.930 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.634 1.028 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.223 2.918 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.465 1.472 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.045 1.672 1.066 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.333 -3.005 3.180 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.458 -4.459 3.175 1.00 0.00 C ATOM 1793 C LEU A 113 -2.539 -4.909 2.198 1.00 0.00 C ATOM 1794 O LEU A 113 -2.491 -6.022 1.672 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.777 -4.965 4.584 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.708 -6.484 4.765 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.313 -7.000 4.446 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.105 -6.866 6.182 1.00 0.00 C ATOM 0 H LEU A 113 -1.359 -2.587 4.110 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.507 -4.883 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.083 -4.500 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.778 -4.628 4.855 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.410 -6.945 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.285 -8.081 4.581 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.062 -6.757 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.410 -6.532 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.051 -7.949 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.425 -6.393 6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.124 -6.531 6.377 1.00 0.00 H new ATOM 1810 N THR A 114 -3.516 -4.036 1.965 1.00 0.00 N ATOM 1811 CA THR A 114 -4.615 -4.331 1.051 1.00 0.00 C ATOM 1812 C THR A 114 -4.123 -4.621 -0.370 1.00 0.00 C ATOM 1813 O THR A 114 -4.929 -4.846 -1.273 1.00 0.00 O ATOM 1814 CB THR A 114 -5.622 -3.167 0.997 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.959 -1.962 0.597 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.284 -2.961 2.352 1.00 0.00 C ATOM 0 H THR A 114 -3.568 -3.114 2.399 1.00 0.00 H new ATOM 0 HA THR A 114 -5.103 -5.224 1.442 1.00 0.00 H new ATOM 0 HB THR A 114 -6.392 -3.416 0.267 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.525 -1.554 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.991 -2.134 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.813 -3.869 2.640 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.523 -2.732 3.098 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.805 -4.614 -0.569 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.235 -4.885 -1.885 1.00 0.00 C ATOM 1826 C PHE A 115 -2.539 -6.315 -2.323 1.00 0.00 C ATOM 1827 O PHE A 115 -2.728 -6.583 -3.509 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.716 -4.664 -1.880 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.298 -3.216 -1.873 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.007 -2.266 -2.594 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.811 -2.808 -1.147 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.618 -0.939 -2.589 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.204 -1.483 -1.140 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.488 -0.549 -1.861 1.00 0.00 C ATOM 0 H PHE A 115 -2.117 -4.425 0.160 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.692 -4.191 -2.591 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.292 -5.156 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.288 -5.149 -2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.873 -2.566 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.374 -3.535 -0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.179 -0.209 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.070 -1.179 -0.571 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.793 0.487 -1.856 1.00 0.00 H new ATOM 1844 N THR A 116 -2.587 -7.230 -1.357 1.00 0.00 N ATOM 1845 CA THR A 116 -2.864 -8.633 -1.648 1.00 0.00 C ATOM 1846 C THR A 116 -3.818 -9.241 -0.624 1.00 0.00 C ATOM 1847 O THR A 116 -4.622 -10.112 -0.958 1.00 0.00 O ATOM 1848 CB THR A 116 -1.568 -9.467 -1.679 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.886 -9.361 -0.423 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.651 -9.007 -2.802 1.00 0.00 C ATOM 0 H THR A 116 -2.438 -7.025 -0.369 1.00 0.00 H new ATOM 0 HA THR A 116 -3.333 -8.658 -2.632 1.00 0.00 H new ATOM 0 HB THR A 116 -1.838 -10.508 -1.858 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.065 -9.895 -0.451 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.256 -9.612 -2.802 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.162 -9.120 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.389 -7.960 -2.652 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.727 -8.783 0.622 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.584 -9.296 1.687 1.00 0.00 C ATOM 1860 C ASP A 117 -6.038 -8.890 1.463 1.00 0.00 C ATOM 1861 O ASP A 117 -6.500 -7.874 1.986 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.100 -8.791 3.048 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.652 -9.613 4.196 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -5.743 -9.273 4.699 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.991 -10.596 4.592 1.00 0.00 O ATOM 0 H ASP A 117 -3.071 -8.060 0.918 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.527 -10.384 1.672 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.011 -8.817 3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.397 -7.750 3.174 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.753 -9.697 0.685 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.154 -9.430 0.375 1.00 0.00 C ATOM 1872 C PHE A 118 -9.005 -9.396 1.642 1.00 0.00 C ATOM 1873 O PHE A 118 -10.008 -8.687 1.705 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.693 -10.489 -0.590 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.057 -10.170 -1.131 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.202 -9.376 -2.257 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.194 -10.665 -0.514 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.457 -9.081 -2.757 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.450 -10.374 -1.009 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.582 -9.581 -2.132 1.00 0.00 C ATOM 0 H PHE A 118 -6.383 -10.545 0.256 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.212 -8.450 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.997 -10.598 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.730 -11.450 -0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.325 -8.983 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.097 -11.286 0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.557 -8.460 -3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.328 -10.766 -0.518 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.563 -9.352 -2.521 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.601 -10.166 2.648 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.333 -10.216 3.909 1.00 0.00 C ATOM 1892 C LEU A 119 -9.367 -8.842 4.568 1.00 0.00 C ATOM 1893 O LEU A 119 -10.382 -8.442 5.138 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.703 -11.234 4.864 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.977 -12.703 4.531 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -8.238 -13.118 3.267 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.584 -13.595 5.698 1.00 0.00 C ATOM 0 H LEU A 119 -7.774 -10.762 2.615 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.354 -10.527 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.624 -11.077 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.065 -11.034 5.872 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.046 -12.819 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.448 -14.165 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.570 -12.501 2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.166 -12.985 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.785 -14.636 5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.522 -13.472 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -9.163 -13.318 6.579 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.252 -8.125 4.482 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.153 -6.792 5.067 1.00 0.00 C ATOM 1911 C ALA A 120 -8.880 -5.769 4.206 1.00 0.00 C ATOM 1912 O ALA A 120 -9.396 -4.772 4.710 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.694 -6.399 5.244 1.00 0.00 C ATOM 0 H ALA A 120 -7.404 -8.444 4.013 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.630 -6.811 6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.636 -5.402 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.202 -7.114 5.904 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.197 -6.399 4.274 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.915 -6.025 2.903 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.578 -5.130 1.960 1.00 0.00 C ATOM 1921 C PHE A 121 -11.079 -5.064 2.240 1.00 0.00 C ATOM 1922 O PHE A 121 -11.640 -3.984 2.444 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.324 -5.615 0.527 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.553 -4.571 -0.531 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.979 -3.314 -0.423 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.337 -4.853 -1.639 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.183 -2.357 -1.400 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.543 -3.901 -2.620 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.966 -2.652 -2.500 1.00 0.00 C ATOM 0 H PHE A 121 -8.491 -6.847 2.474 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.168 -4.127 2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.296 -5.970 0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.972 -6.468 0.325 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.365 -3.079 0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.792 -5.828 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.731 -1.381 -1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.154 -4.134 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.126 -1.907 -3.265 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.720 -6.230 2.265 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.152 -6.311 2.524 1.00 0.00 C ATOM 1941 C LYS A 122 -13.468 -5.862 3.948 1.00 0.00 C ATOM 1942 O LYS A 122 -14.413 -5.109 4.177 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.652 -7.740 2.301 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.158 -7.897 2.451 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.586 -9.345 2.280 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.082 -9.517 2.488 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.505 -10.935 2.319 1.00 0.00 N ATOM 0 H LYS A 122 -11.269 -7.131 2.109 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.664 -5.645 1.829 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.360 -8.065 1.302 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.155 -8.403 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.466 -7.539 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.665 -7.277 1.712 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.315 -9.689 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.045 -9.971 2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.352 -9.174 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.622 -8.890 1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.531 -11.011 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.271 -11.255 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.009 -11.530 3.013 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.667 -6.332 4.901 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.856 -5.979 6.304 1.00 0.00 C ATOM 1963 C GLU A 123 -12.729 -4.473 6.507 1.00 0.00 C ATOM 1964 O GLU A 123 -13.375 -3.898 7.385 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.833 -6.711 7.178 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.941 -6.377 8.658 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.279 -6.771 9.250 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -14.233 -5.972 9.147 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -13.373 -7.880 9.819 1.00 0.00 O ATOM 0 H GLU A 123 -11.881 -6.958 4.726 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.860 -6.284 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.960 -7.786 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.830 -6.464 6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.144 -6.886 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.788 -5.307 8.797 1.00 0.00 H new ATOM 1976 N MET A 124 -11.895 -3.840 5.689 1.00 0.00 N ATOM 1977 CA MET A 124 -11.681 -2.401 5.780 1.00 0.00 C ATOM 1978 C MET A 124 -12.946 -1.636 5.408 1.00 0.00 C ATOM 1979 O MET A 124 -13.353 -0.713 6.114 1.00 0.00 O ATOM 1980 CB MET A 124 -10.527 -1.974 4.871 1.00 0.00 C ATOM 1981 CG MET A 124 -10.210 -0.489 4.946 1.00 0.00 C ATOM 1982 SD MET A 124 -8.855 -0.011 3.856 1.00 0.00 S ATOM 1983 CE MET A 124 -9.547 -0.411 2.253 1.00 0.00 C ATOM 0 H MET A 124 -11.356 -4.301 4.956 1.00 0.00 H new ATOM 0 HA MET A 124 -11.426 -2.164 6.813 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.636 -2.541 5.139 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.772 -2.233 3.841 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.101 0.082 4.684 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.954 -0.228 5.973 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.986 0.107 1.475 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.486 -1.487 2.089 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.590 -0.097 2.218 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.563 -2.021 4.294 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.780 -1.358 3.835 1.00 0.00 C ATOM 1995 C PHE A 125 -15.942 -1.591 4.799 1.00 0.00 C ATOM 1996 O PHE A 125 -16.690 -0.665 5.112 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.157 -1.841 2.434 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.152 -1.468 1.383 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.803 -0.142 1.176 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.553 -2.442 0.601 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.877 0.203 0.210 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.627 -2.103 -0.366 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.289 -0.777 -0.562 1.00 0.00 C ATOM 0 H PHE A 125 -13.243 -2.783 3.696 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.579 -0.287 3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.270 -2.925 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.127 -1.424 2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.260 0.630 1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.813 -3.480 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.614 1.240 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.168 -2.873 -0.968 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.566 -0.509 -1.318 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.091 -2.830 5.262 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.166 -3.173 6.189 1.00 0.00 C ATOM 2015 C LEU A 126 -17.097 -2.321 7.452 1.00 0.00 C ATOM 2016 O LEU A 126 -18.119 -1.837 7.940 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.102 -4.659 6.556 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.958 -5.584 5.685 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.541 -5.490 4.225 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.856 -7.019 6.180 1.00 0.00 C ATOM 0 H LEU A 126 -15.483 -3.610 5.012 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.114 -2.970 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.064 -4.987 6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.413 -4.774 7.594 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.997 -5.263 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.162 -6.155 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.666 -4.465 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.496 -5.782 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.469 -7.665 5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.818 -7.347 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.208 -7.074 7.210 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.890 -2.141 7.976 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.692 -1.342 9.179 1.00 0.00 C ATOM 2034 C ASP A 127 -16.120 0.102 8.937 1.00 0.00 C ATOM 2035 O ASP A 127 -16.787 0.714 9.773 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.226 -1.389 9.616 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.954 -0.520 10.828 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.242 -0.971 11.957 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.453 0.610 10.649 1.00 0.00 O ATOM 0 H ASP A 127 -15.034 -2.537 7.587 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.309 -1.761 9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.950 -2.419 9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.593 -1.064 8.790 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.734 0.636 7.783 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.078 2.005 7.420 1.00 0.00 C ATOM 2046 C TYR A 128 -17.588 2.164 7.285 1.00 0.00 C ATOM 2047 O TYR A 128 -18.143 3.218 7.597 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.390 2.391 6.109 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.644 3.820 5.687 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.998 4.876 6.318 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.531 4.114 4.660 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.229 6.184 5.936 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.767 5.419 4.272 1.00 0.00 C ATOM 2054 CZ TYR A 128 -16.114 6.451 4.913 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.347 7.751 4.529 1.00 0.00 O ATOM 0 H TYR A 128 -15.182 0.141 7.083 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.731 2.668 8.212 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.316 2.238 6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.732 1.722 5.319 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.304 4.671 7.120 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.045 3.309 4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.719 6.993 6.437 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.460 5.630 3.471 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.996 7.764 3.794 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.248 1.107 6.821 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.696 1.122 6.641 1.00 0.00 C ATOM 2067 C ARG A 129 -20.413 1.186 7.986 1.00 0.00 C ATOM 2068 O ARG A 129 -21.378 1.934 8.150 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.146 -0.118 5.868 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.646 -0.174 5.626 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.037 -1.417 4.845 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.477 -1.495 4.622 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.096 -2.579 4.166 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.404 -3.674 3.886 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.410 -2.568 3.991 1.00 0.00 N ATOM 0 H ARG A 129 -17.802 0.227 6.562 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.957 2.013 6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.630 -0.144 4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.842 -1.009 6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.171 -0.163 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.961 0.715 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.521 -1.418 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.706 -2.304 5.386 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.041 -0.670 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.393 -3.687 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.882 -4.504 3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.946 -1.727 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.885 -3.400 3.641 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.937 0.396 8.944 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.533 0.362 10.274 1.00 0.00 C ATOM 2091 C ALA A 130 -20.437 1.722 10.956 1.00 0.00 C ATOM 2092 O ALA A 130 -21.336 2.121 11.697 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.867 -0.709 11.126 1.00 0.00 C ATOM 0 H ALA A 130 -19.140 -0.229 8.823 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.589 0.116 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.323 -0.722 12.116 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.997 -1.683 10.654 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.803 -0.490 11.219 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.340 2.431 10.703 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.127 3.746 11.288 1.00 0.00 C ATOM 2101 C GLU A 131 -20.153 4.749 10.765 1.00 0.00 C ATOM 2102 O GLU A 131 -20.518 5.698 11.460 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.712 4.231 10.974 1.00 0.00 C ATOM 2104 CG GLU A 131 -17.371 5.571 11.596 1.00 0.00 C ATOM 2105 CD GLU A 131 -17.411 5.541 13.112 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -18.493 5.798 13.682 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -16.362 5.258 13.728 1.00 0.00 O ATOM 0 H GLU A 131 -18.585 2.114 10.095 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.249 3.666 12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.997 3.486 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.594 4.303 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.377 5.876 11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -18.071 6.324 11.233 1.00 0.00 H new