USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=27 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 99 HIS : no HD1:sc= -0.0286 X(o=-0.39,f=-0.33) USER MOD Set 1.2: A 100 HIS : no HE2:sc= -0.36 K(o=-0.39,f=-1.6) USER MOD Set 2.1: A 95 THR OG1 : rot 180:sc= -0.195 USER MOD Set 2.2: A 96 THR OG1 : rot 86:sc= 1.18 USER MOD Set 3.1: A 80 GLN : amide:sc= -0.172 K(o=-1.1,f=-2.4) USER MOD Set 3.2: A 83 GLN : amide:sc= -0.936 K(o=-1.1,f=-6.9!) USER MOD Set 4.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 114 THR OG1 : rot -82:sc= 0.585 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -173:sc= -0.82 (180deg=-0.971) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 45 MET CE :methyl 158:sc= -0.189 (180deg=-0.735) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0785 (180deg=-0.355) USER MOD Single : A 48 TYR OH : rot -18:sc= 0.314 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= -0.438 X(o=-0.44,f=-0.08) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0388 (180deg=-0.255) 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 :FLIP amide:sc= -0.679 F(o=-1.4,f=-0.68) USER MOD Single : A 71 SER OG : rot -89:sc= -0.183 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 138:sc= 0.706 USER MOD Single : A 89 ASN :FLIP amide:sc= -1.19 F(o=-3.1!,f=-1.2) USER MOD Single : A 90 MET CE :methyl 159:sc= 0 (180deg=-0.405) USER MOD Single : A 94 THR OG1 : rot -81:sc= 0.962 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 101 LYS NZ :NH3+ -122:sc= -0.952 (180deg=-2.57!) USER MOD Single : A 111 MET CE :methyl -166:sc= -0.871 (180deg=-1.29!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 167:sc= -0.0198 (180deg=-0.236) USER MOD Single : A 124 MET CE :methyl 160:sc= -0.152 (180deg=-0.702) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.350 1.659 6.162 1.00 0.00 N ATOM 243 CA ALA A 19 19.468 3.058 5.763 1.00 0.00 C ATOM 244 C ALA A 19 18.463 3.419 4.671 1.00 0.00 C ATOM 245 O ALA A 19 17.645 4.327 4.843 1.00 0.00 O ATOM 246 CB ALA A 19 20.885 3.351 5.291 1.00 0.00 C ATOM 0 HA ALA A 19 19.245 3.673 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.961 4.398 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.587 3.150 6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.123 2.715 4.438 1.00 0.00 H new ATOM 252 N GLU A 20 18.520 2.701 3.553 1.00 0.00 N ATOM 253 CA GLU A 20 17.623 2.962 2.431 1.00 0.00 C ATOM 254 C GLU A 20 16.192 2.548 2.756 1.00 0.00 C ATOM 255 O GLU A 20 15.261 3.329 2.571 1.00 0.00 O ATOM 256 CB GLU A 20 18.109 2.228 1.182 1.00 0.00 C ATOM 257 CG GLU A 20 17.323 2.572 -0.072 1.00 0.00 C ATOM 258 CD GLU A 20 17.389 4.047 -0.416 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.370 4.460 -1.071 1.00 0.00 O ATOM 260 OE2 GLU A 20 16.462 4.789 -0.029 1.00 0.00 O ATOM 0 H GLU A 20 19.176 1.935 3.400 1.00 0.00 H new ATOM 0 HA GLU A 20 17.630 4.035 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.160 2.465 1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.048 1.154 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.709 1.990 -0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.282 2.281 0.065 1.00 0.00 H new ATOM 267 N PHE A 21 16.022 1.316 3.236 1.00 0.00 N ATOM 268 CA PHE A 21 14.699 0.811 3.591 1.00 0.00 C ATOM 269 C PHE A 21 13.936 1.827 4.439 1.00 0.00 C ATOM 270 O PHE A 21 12.796 2.174 4.130 1.00 0.00 O ATOM 271 CB PHE A 21 14.818 -0.515 4.348 1.00 0.00 C ATOM 272 CG PHE A 21 13.492 -1.110 4.732 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.756 -1.848 3.817 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.979 -0.926 6.007 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.535 -2.392 4.169 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.759 -1.469 6.362 1.00 0.00 C ATOM 277 CZ PHE A 21 11.036 -2.203 5.442 1.00 0.00 C ATOM 0 H PHE A 21 16.782 0.653 3.387 1.00 0.00 H new ATOM 0 HA PHE A 21 14.144 0.645 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.362 -1.229 3.730 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.411 -0.357 5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.141 -1.999 2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.539 -0.352 6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.971 -2.965 3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.371 -1.320 7.359 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.082 -2.628 5.718 1.00 0.00 H new ATOM 287 N ASP A 22 14.575 2.302 5.505 1.00 0.00 N ATOM 288 CA ASP A 22 13.956 3.278 6.395 1.00 0.00 C ATOM 289 C ASP A 22 13.585 4.547 5.634 1.00 0.00 C ATOM 290 O ASP A 22 12.509 5.111 5.837 1.00 0.00 O ATOM 291 CB ASP A 22 14.898 3.621 7.551 1.00 0.00 C ATOM 292 CG ASP A 22 14.248 4.529 8.576 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.229 5.758 8.353 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.757 4.012 9.601 1.00 0.00 O ATOM 0 H ASP A 22 15.520 2.027 5.773 1.00 0.00 H new ATOM 0 HA ASP A 22 13.045 2.836 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.221 2.701 8.038 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.792 4.104 7.157 1.00 0.00 H new ATOM 299 N ALA A 23 14.483 4.990 4.758 1.00 0.00 N ATOM 300 CA ALA A 23 14.248 6.191 3.965 1.00 0.00 C ATOM 301 C ALA A 23 12.953 6.077 3.167 1.00 0.00 C ATOM 302 O ALA A 23 12.178 7.032 3.087 1.00 0.00 O ATOM 303 CB ALA A 23 15.424 6.448 3.036 1.00 0.00 C ATOM 0 H ALA A 23 15.379 4.535 4.580 1.00 0.00 H new ATOM 0 HA ALA A 23 14.149 7.035 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.235 7.347 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.331 6.583 3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.550 5.598 2.365 1.00 0.00 H new ATOM 309 N VAL A 24 12.724 4.907 2.577 1.00 0.00 N ATOM 310 CA VAL A 24 11.518 4.674 1.791 1.00 0.00 C ATOM 311 C VAL A 24 10.274 4.808 2.662 1.00 0.00 C ATOM 312 O VAL A 24 9.266 5.372 2.236 1.00 0.00 O ATOM 313 CB VAL A 24 11.523 3.279 1.139 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.333 3.121 0.204 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.829 3.038 0.397 1.00 0.00 C ATOM 0 H VAL A 24 13.356 4.108 2.628 1.00 0.00 H new ATOM 0 HA VAL A 24 11.502 5.428 1.004 1.00 0.00 H new ATOM 0 HB VAL A 24 11.438 2.531 1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.354 2.129 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.408 3.244 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.383 3.877 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.812 2.047 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.949 3.791 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.662 3.103 1.097 1.00 0.00 H new ATOM 325 N VAL A 25 10.353 4.279 3.882 1.00 0.00 N ATOM 326 CA VAL A 25 9.238 4.348 4.819 1.00 0.00 C ATOM 327 C VAL A 25 8.804 5.793 5.033 1.00 0.00 C ATOM 328 O VAL A 25 7.611 6.093 5.085 1.00 0.00 O ATOM 329 CB VAL A 25 9.605 3.726 6.181 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.424 3.793 7.137 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.078 2.291 6.006 1.00 0.00 C ATOM 0 H VAL A 25 11.178 3.799 4.242 1.00 0.00 H new ATOM 0 HA VAL A 25 8.417 3.779 4.383 1.00 0.00 H new ATOM 0 HB VAL A 25 10.424 4.303 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.704 3.349 8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.139 4.834 7.290 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.582 3.244 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.332 1.870 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.284 1.699 5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.958 2.274 5.362 1.00 0.00 H new ATOM 341 N GLY A 26 9.785 6.683 5.153 1.00 0.00 N ATOM 342 CA GLY A 26 9.491 8.091 5.352 1.00 0.00 C ATOM 343 C GLY A 26 8.729 8.684 4.184 1.00 0.00 C ATOM 344 O GLY A 26 7.707 9.346 4.373 1.00 0.00 O ATOM 0 H GLY A 26 10.778 6.454 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.908 8.214 6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.423 8.639 5.493 1.00 0.00 H new ATOM 348 N TYR A 27 9.226 8.444 2.973 1.00 0.00 N ATOM 349 CA TYR A 27 8.579 8.952 1.771 1.00 0.00 C ATOM 350 C TYR A 27 7.133 8.476 1.704 1.00 0.00 C ATOM 351 O TYR A 27 6.248 9.210 1.268 1.00 0.00 O ATOM 352 CB TYR A 27 9.335 8.499 0.518 1.00 0.00 C ATOM 353 CG TYR A 27 10.765 8.991 0.454 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.072 10.333 0.650 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.809 8.111 0.196 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.377 10.783 0.591 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.117 8.554 0.136 1.00 0.00 C ATOM 358 CZ TYR A 27 13.396 9.889 0.334 1.00 0.00 C ATOM 359 OH TYR A 27 14.697 10.334 0.276 1.00 0.00 O ATOM 0 H TYR A 27 10.073 7.902 2.801 1.00 0.00 H new ATOM 0 HA TYR A 27 8.592 10.041 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.334 7.410 0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.800 8.851 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.277 11.035 0.852 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.595 7.064 0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.598 11.829 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.917 7.857 -0.065 1.00 0.00 H new ATOM 0 HH TYR A 27 15.293 9.579 0.087 1.00 0.00 H new ATOM 369 N LEU A 28 6.901 7.242 2.145 1.00 0.00 N ATOM 370 CA LEU A 28 5.561 6.668 2.144 1.00 0.00 C ATOM 371 C LEU A 28 4.625 7.484 3.027 1.00 0.00 C ATOM 372 O LEU A 28 3.510 7.814 2.625 1.00 0.00 O ATOM 373 CB LEU A 28 5.598 5.215 2.626 1.00 0.00 C ATOM 374 CG LEU A 28 6.250 4.226 1.659 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.412 2.866 2.318 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.426 4.104 0.387 1.00 0.00 C ATOM 0 H LEU A 28 7.625 6.621 2.507 1.00 0.00 H new ATOM 0 HA LEU A 28 5.185 6.690 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.133 5.177 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.577 4.888 2.822 1.00 0.00 H new ATOM 0 HG LEU A 28 7.238 4.603 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.878 2.175 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.041 2.963 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.434 2.484 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.904 3.396 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.425 3.750 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.357 5.078 -0.097 1.00 0.00 H new ATOM 388 N GLU A 29 5.086 7.805 4.233 1.00 0.00 N ATOM 389 CA GLU A 29 4.291 8.586 5.174 1.00 0.00 C ATOM 390 C GLU A 29 3.853 9.904 4.545 1.00 0.00 C ATOM 391 O GLU A 29 2.734 10.367 4.765 1.00 0.00 O ATOM 392 CB GLU A 29 5.089 8.859 6.451 1.00 0.00 C ATOM 393 CG GLU A 29 5.441 7.602 7.232 1.00 0.00 C ATOM 394 CD GLU A 29 6.262 7.898 8.471 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.660 8.187 9.527 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.506 7.843 8.387 1.00 0.00 O ATOM 0 H GLU A 29 6.006 7.536 4.581 1.00 0.00 H new ATOM 0 HA GLU A 29 3.403 8.008 5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.008 9.383 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.514 9.526 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.524 7.090 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.996 6.921 6.587 1.00 0.00 H new ATOM 403 N ASP A 30 4.745 10.504 3.762 1.00 0.00 N ATOM 404 CA ASP A 30 4.450 11.768 3.097 1.00 0.00 C ATOM 405 C ASP A 30 3.344 11.591 2.063 1.00 0.00 C ATOM 406 O ASP A 30 2.548 12.500 1.829 1.00 0.00 O ATOM 407 CB ASP A 30 5.708 12.322 2.425 1.00 0.00 C ATOM 408 CG ASP A 30 5.467 13.665 1.763 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.001 13.681 0.604 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.742 14.701 2.404 1.00 0.00 O ATOM 0 H ASP A 30 5.677 10.135 3.573 1.00 0.00 H new ATOM 0 HA ASP A 30 4.109 12.476 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.499 12.423 3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.061 11.610 1.679 1.00 0.00 H new ATOM 415 N ILE A 31 3.301 10.413 1.445 1.00 0.00 N ATOM 416 CA ILE A 31 2.293 10.115 0.436 1.00 0.00 C ATOM 417 C ILE A 31 0.938 9.841 1.079 1.00 0.00 C ATOM 418 O ILE A 31 -0.100 10.245 0.558 1.00 0.00 O ATOM 419 CB ILE A 31 2.698 8.901 -0.424 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.071 9.133 -1.061 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.650 8.636 -1.496 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.633 7.908 -1.753 1.00 0.00 C ATOM 0 H ILE A 31 3.954 9.650 1.627 1.00 0.00 H new ATOM 0 HA ILE A 31 2.217 10.993 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 31 2.760 8.024 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.994 9.945 -1.784 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.770 9.457 -0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.951 7.776 -2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.690 8.431 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.558 9.511 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.607 8.146 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.742 7.100 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.955 7.595 -2.547 1.00 0.00 H new ATOM 434 N ILE A 32 0.953 9.152 2.215 1.00 0.00 N ATOM 435 CA ILE A 32 -0.277 8.824 2.926 1.00 0.00 C ATOM 436 C ILE A 32 -0.999 10.086 3.388 1.00 0.00 C ATOM 437 O ILE A 32 -2.220 10.190 3.277 1.00 0.00 O ATOM 438 CB ILE A 32 0.002 7.929 4.150 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.718 6.647 3.721 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.298 7.598 4.870 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.220 5.813 4.881 1.00 0.00 C ATOM 0 H ILE A 32 1.803 8.810 2.663 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.911 8.281 2.225 1.00 0.00 H new ATOM 0 HB ILE A 32 0.650 8.472 4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.037 6.045 3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.561 6.909 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.086 6.966 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.773 8.520 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.967 7.071 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.716 4.921 4.500 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.927 6.397 5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.379 5.520 5.509 1.00 0.00 H new ATOM 453 N MET A 33 -0.235 11.045 3.905 1.00 0.00 N ATOM 454 CA MET A 33 -0.804 12.298 4.389 1.00 0.00 C ATOM 455 C MET A 33 -0.928 13.320 3.265 1.00 0.00 C ATOM 456 O MET A 33 -1.333 14.460 3.494 1.00 0.00 O ATOM 457 CB MET A 33 0.057 12.868 5.517 1.00 0.00 C ATOM 458 CG MET A 33 0.180 11.942 6.718 1.00 0.00 C ATOM 459 SD MET A 33 1.268 12.601 7.998 1.00 0.00 S ATOM 460 CE MET A 33 2.823 12.691 7.113 1.00 0.00 C ATOM 0 H MET A 33 0.778 10.978 3.999 1.00 0.00 H new ATOM 0 HA MET A 33 -1.803 12.087 4.769 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.053 13.081 5.130 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.368 13.817 5.843 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.809 11.770 7.141 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.558 10.974 6.388 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.620 12.962 7.805 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.044 11.722 6.666 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.752 13.444 6.328 1.00 0.00 H new ATOM 470 N ASP A 34 -0.576 12.909 2.049 1.00 0.00 N ATOM 471 CA ASP A 34 -0.657 13.794 0.894 1.00 0.00 C ATOM 472 C ASP A 34 -2.108 14.174 0.612 1.00 0.00 C ATOM 473 O ASP A 34 -2.977 13.308 0.522 1.00 0.00 O ATOM 474 CB ASP A 34 -0.036 13.127 -0.334 1.00 0.00 C ATOM 475 CG ASP A 34 -0.020 14.038 -1.544 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.875 14.904 -1.625 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.906 13.886 -2.411 1.00 0.00 O ATOM 0 H ASP A 34 -0.233 11.971 1.840 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.098 14.703 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.984 12.821 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.594 12.221 -0.573 1.00 0.00 H new ATOM 482 N ASP A 35 -2.359 15.472 0.474 1.00 0.00 N ATOM 483 CA ASP A 35 -3.706 15.977 0.218 1.00 0.00 C ATOM 484 C ASP A 35 -4.338 15.318 -1.006 1.00 0.00 C ATOM 485 O ASP A 35 -5.525 14.987 -0.996 1.00 0.00 O ATOM 486 CB ASP A 35 -3.672 17.496 0.029 1.00 0.00 C ATOM 487 CG ASP A 35 -2.825 17.913 -1.159 1.00 0.00 C ATOM 488 OD1 ASP A 35 -1.592 18.027 -0.998 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.396 18.128 -2.249 1.00 0.00 O ATOM 0 H ASP A 35 -1.644 16.197 0.535 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.319 15.729 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.689 17.865 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.280 17.963 0.933 1.00 0.00 H new ATOM 494 N GLU A 36 -3.547 15.131 -2.057 1.00 0.00 N ATOM 495 CA GLU A 36 -4.046 14.524 -3.288 1.00 0.00 C ATOM 496 C GLU A 36 -4.310 13.031 -3.108 1.00 0.00 C ATOM 497 O GLU A 36 -5.173 12.460 -3.776 1.00 0.00 O ATOM 498 CB GLU A 36 -3.051 14.745 -4.428 1.00 0.00 C ATOM 499 CG GLU A 36 -3.581 14.321 -5.789 1.00 0.00 C ATOM 500 CD GLU A 36 -2.606 14.615 -6.911 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.662 15.731 -7.469 1.00 0.00 O ATOM 502 OE2 GLU A 36 -1.786 13.730 -7.232 1.00 0.00 O ATOM 0 H GLU A 36 -2.561 15.390 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.992 15.006 -3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.782 15.801 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.137 14.190 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.800 13.253 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.521 14.836 -5.985 1.00 0.00 H new ATOM 509 N PHE A 37 -3.565 12.402 -2.203 1.00 0.00 N ATOM 510 CA PHE A 37 -3.719 10.973 -1.945 1.00 0.00 C ATOM 511 C PHE A 37 -4.976 10.693 -1.125 1.00 0.00 C ATOM 512 O PHE A 37 -5.724 9.761 -1.420 1.00 0.00 O ATOM 513 CB PHE A 37 -2.489 10.430 -1.215 1.00 0.00 C ATOM 514 CG PHE A 37 -2.600 8.981 -0.826 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.352 7.980 -1.751 1.00 0.00 C ATOM 516 CD2 PHE A 37 -2.949 8.621 0.466 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.450 6.648 -1.395 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.050 7.290 0.828 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.799 6.303 -0.104 1.00 0.00 C ATOM 0 H PHE A 37 -2.850 12.858 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.818 10.468 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.614 10.559 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.320 11.025 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.079 8.243 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.145 9.389 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.254 5.878 -2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.325 7.023 1.838 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.875 5.263 0.176 1.00 0.00 H new ATOM 529 N GLN A 38 -5.198 11.501 -0.096 1.00 0.00 N ATOM 530 CA GLN A 38 -6.359 11.334 0.770 1.00 0.00 C ATOM 531 C GLN A 38 -7.656 11.605 0.011 1.00 0.00 C ATOM 532 O GLN A 38 -8.672 10.951 0.249 1.00 0.00 O ATOM 533 CB GLN A 38 -6.253 12.266 1.978 1.00 0.00 C ATOM 534 CG GLN A 38 -4.962 12.091 2.762 1.00 0.00 C ATOM 535 CD GLN A 38 -4.877 13.005 3.968 1.00 0.00 C ATOM 536 OE1 GLN A 38 -4.395 14.134 3.873 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.339 12.518 5.113 1.00 0.00 N ATOM 0 H GLN A 38 -4.589 12.279 0.160 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.378 10.300 1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.326 13.299 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.100 12.088 2.641 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.880 11.055 3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.114 12.285 2.105 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.730 11.577 5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.303 13.085 5.960 1.00 0.00 H new ATOM 546 N LEU A 39 -7.613 12.571 -0.900 1.00 0.00 N ATOM 547 CA LEU A 39 -8.784 12.927 -1.695 1.00 0.00 C ATOM 548 C LEU A 39 -9.135 11.819 -2.683 1.00 0.00 C ATOM 549 O LEU A 39 -10.302 11.454 -2.833 1.00 0.00 O ATOM 550 CB LEU A 39 -8.533 14.238 -2.445 1.00 0.00 C ATOM 551 CG LEU A 39 -9.642 14.661 -3.412 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.912 15.012 -2.654 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.182 15.836 -4.261 1.00 0.00 C ATOM 0 H LEU A 39 -6.780 13.122 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.627 13.058 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.388 15.034 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.602 14.145 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.863 13.822 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.687 15.310 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.250 14.143 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.711 15.835 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.980 16.126 -4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.934 16.677 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.301 15.548 -4.834 1.00 0.00 H new ATOM 565 N LEU A 40 -8.118 11.290 -3.358 1.00 0.00 N ATOM 566 CA LEU A 40 -8.316 10.227 -4.340 1.00 0.00 C ATOM 567 C LEU A 40 -8.827 8.952 -3.677 1.00 0.00 C ATOM 568 O LEU A 40 -9.802 8.354 -4.132 1.00 0.00 O ATOM 569 CB LEU A 40 -7.003 9.948 -5.080 1.00 0.00 C ATOM 570 CG LEU A 40 -7.065 8.841 -6.138 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.124 9.154 -7.290 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.713 7.492 -5.525 1.00 0.00 C ATOM 0 H LEU A 40 -7.147 11.580 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.069 10.559 -5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.675 10.869 -5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.242 9.683 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.084 8.792 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.180 8.358 -8.032 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.413 10.099 -7.749 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.103 9.229 -6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.763 6.720 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.704 7.531 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.420 7.259 -4.729 1.00 0.00 H new ATOM 584 N GLN A 41 -8.160 8.541 -2.604 1.00 0.00 N ATOM 585 CA GLN A 41 -8.535 7.332 -1.880 1.00 0.00 C ATOM 586 C GLN A 41 -9.998 7.372 -1.446 1.00 0.00 C ATOM 587 O GLN A 41 -10.757 6.443 -1.717 1.00 0.00 O ATOM 588 CB GLN A 41 -7.632 7.151 -0.658 1.00 0.00 C ATOM 589 CG GLN A 41 -7.931 5.891 0.141 1.00 0.00 C ATOM 590 CD GLN A 41 -7.035 5.747 1.356 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.366 6.216 2.445 1.00 0.00 O ATOM 592 NE2 GLN A 41 -5.893 5.096 1.173 1.00 0.00 N ATOM 0 H GLN A 41 -7.354 9.030 -2.215 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.407 6.485 -2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.593 7.125 -0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.739 8.018 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.973 5.907 0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.809 5.019 -0.502 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.660 4.724 0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.248 4.968 1.953 1.00 0.00 H new ATOM 601 N ARG A 42 -10.387 8.451 -0.774 1.00 0.00 N ATOM 602 CA ARG A 42 -11.758 8.601 -0.295 1.00 0.00 C ATOM 603 C ARG A 42 -12.744 8.716 -1.454 1.00 0.00 C ATOM 604 O ARG A 42 -13.886 8.266 -1.356 1.00 0.00 O ATOM 605 CB ARG A 42 -11.875 9.832 0.607 1.00 0.00 C ATOM 606 CG ARG A 42 -13.253 10.006 1.225 1.00 0.00 C ATOM 607 CD ARG A 42 -13.333 11.274 2.060 1.00 0.00 C ATOM 608 NE ARG A 42 -13.119 12.472 1.255 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.405 13.702 1.672 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.917 13.893 2.880 1.00 0.00 N ATOM 611 NH2 ARG A 42 -13.180 14.740 0.880 1.00 0.00 N ATOM 0 H ARG A 42 -9.773 9.234 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.007 7.708 0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.135 9.759 1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.632 10.722 0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.005 10.040 0.437 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.485 9.143 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.309 11.330 2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.588 11.233 2.854 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.728 12.360 0.320 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.092 13.096 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.136 14.837 3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.787 14.596 -0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.400 15.683 1.201 1.00 0.00 H new ATOM 625 N ASN A 43 -12.301 9.319 -2.552 1.00 0.00 N ATOM 626 CA ASN A 43 -13.151 9.499 -3.723 1.00 0.00 C ATOM 627 C ASN A 43 -13.620 8.157 -4.280 1.00 0.00 C ATOM 628 O ASN A 43 -14.808 7.966 -4.540 1.00 0.00 O ATOM 629 CB ASN A 43 -12.408 10.280 -4.806 1.00 0.00 C ATOM 630 CG ASN A 43 -13.272 10.546 -6.022 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.294 9.759 -6.968 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.993 11.662 -6.003 1.00 0.00 N ATOM 0 H ASN A 43 -11.357 9.692 -2.655 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.029 10.065 -3.411 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.063 11.228 -4.394 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.521 9.723 -5.108 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.595 11.894 -6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.945 12.287 -5.198 1.00 0.00 H new ATOM 639 N PHE A 44 -12.685 7.230 -4.460 1.00 0.00 N ATOM 640 CA PHE A 44 -13.013 5.913 -4.994 1.00 0.00 C ATOM 641 C PHE A 44 -13.632 5.016 -3.926 1.00 0.00 C ATOM 642 O PHE A 44 -14.582 4.284 -4.202 1.00 0.00 O ATOM 643 CB PHE A 44 -11.767 5.248 -5.585 1.00 0.00 C ATOM 644 CG PHE A 44 -11.382 5.787 -6.934 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.586 6.916 -7.045 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.821 5.165 -8.093 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.233 7.414 -8.286 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.473 5.658 -9.336 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.678 6.784 -9.433 1.00 0.00 C ATOM 0 H PHE A 44 -11.697 7.365 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.750 6.052 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.932 5.383 -4.897 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.942 4.175 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.237 7.413 -6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -12.442 4.284 -8.023 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.611 8.294 -8.359 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.822 5.164 -10.231 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.405 7.171 -10.403 1.00 0.00 H new ATOM 659 N MET A 45 -13.097 5.075 -2.708 1.00 0.00 N ATOM 660 CA MET A 45 -13.609 4.261 -1.607 1.00 0.00 C ATOM 661 C MET A 45 -15.098 4.507 -1.392 1.00 0.00 C ATOM 662 O MET A 45 -15.820 3.623 -0.929 1.00 0.00 O ATOM 663 CB MET A 45 -12.844 4.555 -0.315 1.00 0.00 C ATOM 664 CG MET A 45 -11.506 3.841 -0.222 1.00 0.00 C ATOM 665 SD MET A 45 -10.681 4.114 1.359 1.00 0.00 S ATOM 666 CE MET A 45 -11.847 3.363 2.493 1.00 0.00 C ATOM 0 H MET A 45 -12.311 5.676 -2.459 1.00 0.00 H new ATOM 0 HA MET A 45 -13.464 3.214 -1.874 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.679 5.630 -0.238 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.460 4.265 0.536 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.658 2.772 -0.368 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.859 4.184 -1.029 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.336 3.099 3.419 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.649 4.068 2.710 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.267 2.464 2.041 1.00 0.00 H new ATOM 676 N ASP A 46 -15.549 5.711 -1.726 1.00 0.00 N ATOM 677 CA ASP A 46 -16.954 6.073 -1.574 1.00 0.00 C ATOM 678 C ASP A 46 -17.843 5.146 -2.396 1.00 0.00 C ATOM 679 O ASP A 46 -18.985 4.874 -2.028 1.00 0.00 O ATOM 680 CB ASP A 46 -17.174 7.527 -2.000 1.00 0.00 C ATOM 681 CG ASP A 46 -18.617 7.965 -1.837 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.413 7.747 -2.775 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.950 8.527 -0.773 1.00 0.00 O ATOM 0 H ASP A 46 -14.961 6.454 -2.104 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.224 5.966 -0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.531 8.178 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.876 7.647 -3.042 1.00 0.00 H new ATOM 688 N LYS A 47 -17.310 4.669 -3.515 1.00 0.00 N ATOM 689 CA LYS A 47 -18.047 3.774 -4.400 1.00 0.00 C ATOM 690 C LYS A 47 -17.726 2.314 -4.081 1.00 0.00 C ATOM 691 O LYS A 47 -18.606 1.454 -4.098 1.00 0.00 O ATOM 692 CB LYS A 47 -17.691 4.080 -5.859 1.00 0.00 C ATOM 693 CG LYS A 47 -18.786 3.725 -6.854 1.00 0.00 C ATOM 694 CD LYS A 47 -18.899 2.223 -7.059 1.00 0.00 C ATOM 695 CE LYS A 47 -19.930 1.882 -8.122 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.567 2.451 -9.449 1.00 0.00 N ATOM 0 H LYS A 47 -16.366 4.888 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.114 3.934 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.462 5.142 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.785 3.535 -6.123 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.740 4.116 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.579 4.207 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.929 1.820 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.173 1.746 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.022 0.799 -8.204 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.905 2.263 -7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.115 1.974 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.781 3.469 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.551 2.308 -9.622 1.00 0.00 H new ATOM 710 N TYR A 48 -16.460 2.050 -3.783 1.00 0.00 N ATOM 711 CA TYR A 48 -16.004 0.700 -3.469 1.00 0.00 C ATOM 712 C TYR A 48 -16.782 0.090 -2.304 1.00 0.00 C ATOM 713 O TYR A 48 -17.343 -0.998 -2.428 1.00 0.00 O ATOM 714 CB TYR A 48 -14.511 0.713 -3.142 1.00 0.00 C ATOM 715 CG TYR A 48 -13.615 0.618 -4.358 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.668 1.573 -5.365 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.713 -0.430 -4.494 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.848 1.485 -6.475 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.890 -0.524 -5.600 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.961 0.436 -6.587 1.00 0.00 C ATOM 721 OH TYR A 48 -11.143 0.345 -7.690 1.00 0.00 O ATOM 0 H TYR A 48 -15.726 2.757 -3.752 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.183 0.082 -4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.276 1.629 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.288 -0.118 -2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.361 2.397 -5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.654 -1.184 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.902 2.235 -7.250 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.195 -1.345 -5.691 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.500 0.906 -8.409 1.00 0.00 H new ATOM 731 N TYR A 49 -16.811 0.792 -1.174 1.00 0.00 N ATOM 732 CA TYR A 49 -17.505 0.298 0.014 1.00 0.00 C ATOM 733 C TYR A 49 -18.991 0.062 -0.257 1.00 0.00 C ATOM 734 O TYR A 49 -19.665 -0.630 0.506 1.00 0.00 O ATOM 735 CB TYR A 49 -17.311 1.265 1.192 1.00 0.00 C ATOM 736 CG TYR A 49 -18.462 2.222 1.421 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.582 3.392 0.683 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.426 1.956 2.388 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.628 4.270 0.900 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.475 2.828 2.608 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.571 3.983 1.863 1.00 0.00 C ATOM 742 OH TYR A 49 -21.615 4.853 2.081 1.00 0.00 O ATOM 0 H TYR A 49 -16.364 1.701 -1.055 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.066 -0.664 0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.154 0.683 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.403 1.844 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.846 3.620 -0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.353 1.053 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.706 5.176 0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.217 2.605 3.361 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.190 4.502 2.792 1.00 0.00 H new ATOM 752 N LEU A 50 -19.498 0.637 -1.345 1.00 0.00 N ATOM 753 CA LEU A 50 -20.903 0.473 -1.706 1.00 0.00 C ATOM 754 C LEU A 50 -21.129 -0.856 -2.420 1.00 0.00 C ATOM 755 O LEU A 50 -22.076 -1.582 -2.114 1.00 0.00 O ATOM 756 CB LEU A 50 -21.372 1.628 -2.594 1.00 0.00 C ATOM 757 CG LEU A 50 -21.487 2.985 -1.895 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.847 4.071 -2.896 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.522 2.926 -0.781 1.00 0.00 C ATOM 0 H LEU A 50 -18.960 1.217 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.487 0.478 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.680 1.726 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.344 1.370 -3.014 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.520 3.227 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.925 5.029 -2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.073 4.132 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.802 3.832 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.590 3.900 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.493 2.661 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.226 2.175 -0.048 1.00 0.00 H new ATOM 771 N GLU A 51 -20.254 -1.168 -3.371 1.00 0.00 N ATOM 772 CA GLU A 51 -20.360 -2.411 -4.128 1.00 0.00 C ATOM 773 C GLU A 51 -19.997 -3.612 -3.259 1.00 0.00 C ATOM 774 O GLU A 51 -20.484 -4.721 -3.482 1.00 0.00 O ATOM 775 CB GLU A 51 -19.452 -2.363 -5.359 1.00 0.00 C ATOM 776 CG GLU A 51 -19.801 -1.248 -6.331 1.00 0.00 C ATOM 777 CD GLU A 51 -21.198 -1.389 -6.904 1.00 0.00 C ATOM 778 OE1 GLU A 51 -22.147 -0.854 -6.294 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.343 -2.036 -7.964 1.00 0.00 O ATOM 0 H GLU A 51 -19.465 -0.578 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.395 -2.521 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.419 -2.239 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.510 -3.319 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.716 -0.288 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.077 -1.242 -7.146 1.00 0.00 H new ATOM 786 N PHE A 52 -19.141 -3.386 -2.267 1.00 0.00 N ATOM 787 CA PHE A 52 -18.720 -4.455 -1.371 1.00 0.00 C ATOM 788 C PHE A 52 -19.754 -4.693 -0.278 1.00 0.00 C ATOM 789 O PHE A 52 -19.653 -4.143 0.819 1.00 0.00 O ATOM 790 CB PHE A 52 -17.359 -4.134 -0.749 1.00 0.00 C ATOM 791 CG PHE A 52 -16.198 -4.474 -1.639 1.00 0.00 C ATOM 792 CD1 PHE A 52 -16.018 -3.823 -2.848 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.286 -5.449 -1.266 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.952 -4.135 -3.668 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.216 -5.767 -2.082 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.049 -5.109 -3.284 1.00 0.00 C ATOM 0 H PHE A 52 -18.727 -2.476 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.629 -5.367 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.321 -3.072 -0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.259 -4.680 0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.720 -3.062 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.413 -5.967 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.824 -3.619 -4.608 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.512 -6.529 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.214 -5.355 -3.924 1.00 0.00 H new ATOM 806 N GLU A 53 -20.754 -5.507 -0.594 1.00 0.00 N ATOM 807 CA GLU A 53 -21.807 -5.831 0.359 1.00 0.00 C ATOM 808 C GLU A 53 -21.449 -7.087 1.144 1.00 0.00 C ATOM 809 O GLU A 53 -20.931 -8.053 0.582 1.00 0.00 O ATOM 810 CB GLU A 53 -23.139 -6.029 -0.367 1.00 0.00 C ATOM 811 CG GLU A 53 -24.313 -6.265 0.568 1.00 0.00 C ATOM 812 CD GLU A 53 -24.587 -5.077 1.467 1.00 0.00 C ATOM 813 OE1 GLU A 53 -23.929 -4.968 2.523 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.458 -4.253 1.114 1.00 0.00 O ATOM 0 H GLU A 53 -20.857 -5.955 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.906 -4.999 1.057 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.344 -5.150 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.050 -6.877 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -25.204 -6.484 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.113 -7.143 1.182 1.00 0.00 H new ATOM 821 N ASP A 54 -21.728 -7.072 2.443 1.00 0.00 N ATOM 822 CA ASP A 54 -21.432 -8.205 3.301 1.00 0.00 C ATOM 823 C ASP A 54 -22.319 -9.399 2.958 1.00 0.00 C ATOM 824 O ASP A 54 -23.471 -9.477 3.385 1.00 0.00 O ATOM 825 CB ASP A 54 -21.617 -7.801 4.763 1.00 0.00 C ATOM 826 CG ASP A 54 -22.937 -7.099 5.010 1.00 0.00 C ATOM 827 OD1 ASP A 54 -22.981 -5.858 4.885 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.927 -7.789 5.333 1.00 0.00 O ATOM 0 H ASP A 54 -22.160 -6.283 2.923 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.397 -8.505 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.559 -8.689 5.392 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -20.799 -7.145 5.061 1.00 0.00 H new ATOM 833 N THR A 55 -21.773 -10.326 2.174 1.00 0.00 N ATOM 834 CA THR A 55 -22.510 -11.519 1.767 1.00 0.00 C ATOM 835 C THR A 55 -21.618 -12.757 1.820 1.00 0.00 C ATOM 836 O THR A 55 -20.434 -12.666 2.147 1.00 0.00 O ATOM 837 CB THR A 55 -23.077 -11.375 0.342 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.005 -11.244 -0.602 1.00 0.00 O ATOM 839 CG2 THR A 55 -23.995 -10.166 0.240 1.00 0.00 C ATOM 0 H THR A 55 -20.822 -10.273 1.808 1.00 0.00 H new ATOM 0 HA THR A 55 -23.337 -11.633 2.468 1.00 0.00 H new ATOM 0 HB THR A 55 -23.656 -12.271 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.374 -11.155 -1.506 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.382 -10.087 -0.776 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.826 -10.280 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.436 -9.263 0.486 1.00 0.00 H new ATOM 847 N GLU A 56 -22.193 -13.913 1.497 1.00 0.00 N ATOM 848 CA GLU A 56 -21.446 -15.167 1.506 1.00 0.00 C ATOM 849 C GLU A 56 -21.107 -15.613 0.087 1.00 0.00 C ATOM 850 O GLU A 56 -20.051 -16.200 -0.153 1.00 0.00 O ATOM 851 CB GLU A 56 -22.246 -16.261 2.217 1.00 0.00 C ATOM 852 CG GLU A 56 -22.544 -15.949 3.674 1.00 0.00 C ATOM 853 CD GLU A 56 -21.286 -15.722 4.490 1.00 0.00 C ATOM 854 OE1 GLU A 56 -20.660 -16.720 4.907 1.00 0.00 O ATOM 855 OE2 GLU A 56 -20.927 -14.547 4.712 1.00 0.00 O ATOM 0 H GLU A 56 -23.172 -14.007 1.226 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.515 -14.997 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.186 -16.414 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.693 -17.198 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.174 -15.062 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.112 -16.771 4.109 1.00 0.00 H new ATOM 862 N GLU A 57 -22.008 -15.332 -0.850 1.00 0.00 N ATOM 863 CA GLU A 57 -21.802 -15.705 -2.245 1.00 0.00 C ATOM 864 C GLU A 57 -20.869 -14.715 -2.937 1.00 0.00 C ATOM 865 O GLU A 57 -21.094 -13.504 -2.899 1.00 0.00 O ATOM 866 CB GLU A 57 -23.142 -15.767 -2.983 1.00 0.00 C ATOM 867 CG GLU A 57 -23.029 -16.274 -4.412 1.00 0.00 C ATOM 868 CD GLU A 57 -22.510 -17.697 -4.490 1.00 0.00 C ATOM 869 OE1 GLU A 57 -23.337 -18.632 -4.448 1.00 0.00 O ATOM 870 OE2 GLU A 57 -21.279 -17.875 -4.590 1.00 0.00 O ATOM 0 H GLU A 57 -22.887 -14.848 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.339 -16.692 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.822 -16.415 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.587 -14.772 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.007 -16.222 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -22.364 -15.618 -4.974 1.00 0.00 H new ATOM 877 N ASN A 58 -19.824 -15.237 -3.570 1.00 0.00 N ATOM 878 CA ASN A 58 -18.854 -14.400 -4.268 1.00 0.00 C ATOM 879 C ASN A 58 -19.404 -13.932 -5.612 1.00 0.00 C ATOM 880 O ASN A 58 -20.061 -14.691 -6.324 1.00 0.00 O ATOM 881 CB ASN A 58 -17.548 -15.168 -4.479 1.00 0.00 C ATOM 882 CG ASN A 58 -17.740 -16.413 -5.321 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.638 -16.370 -6.548 1.00 0.00 O ATOM 884 ND2 ASN A 58 -18.022 -17.533 -4.665 1.00 0.00 N ATOM 0 H ASN A 58 -19.627 -16.237 -3.614 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.658 -13.523 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.820 -14.516 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.134 -15.448 -3.510 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.163 -18.403 -5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.097 -17.523 -3.648 1.00 0.00 H new ATOM 891 N LYS A 59 -19.129 -12.676 -5.953 1.00 0.00 N ATOM 892 CA LYS A 59 -19.595 -12.106 -7.213 1.00 0.00 C ATOM 893 C LYS A 59 -18.438 -11.933 -8.194 1.00 0.00 C ATOM 894 O LYS A 59 -17.282 -11.803 -7.789 1.00 0.00 O ATOM 895 CB LYS A 59 -20.276 -10.758 -6.968 1.00 0.00 C ATOM 896 CG LYS A 59 -21.375 -10.812 -5.918 1.00 0.00 C ATOM 897 CD LYS A 59 -22.012 -9.447 -5.706 1.00 0.00 C ATOM 898 CE LYS A 59 -22.771 -8.982 -6.939 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.903 -9.890 -7.268 1.00 0.00 N ATOM 0 H LYS A 59 -18.586 -12.034 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.318 -12.796 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.524 -10.032 -6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.699 -10.398 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.138 -11.527 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -20.962 -11.172 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.692 -9.491 -4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.239 -8.719 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.151 -7.974 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.089 -8.930 -7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.550 -9.413 -7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.536 -10.757 -7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.416 -10.135 -6.397 1.00 0.00 H new ATOM 913 N LEU A 60 -18.759 -11.932 -9.483 1.00 0.00 N ATOM 914 CA LEU A 60 -17.749 -11.776 -10.524 1.00 0.00 C ATOM 915 C LEU A 60 -17.325 -10.316 -10.658 1.00 0.00 C ATOM 916 O LEU A 60 -16.311 -10.009 -11.283 1.00 0.00 O ATOM 917 CB LEU A 60 -18.287 -12.283 -11.864 1.00 0.00 C ATOM 918 CG LEU A 60 -18.686 -13.760 -11.889 1.00 0.00 C ATOM 919 CD1 LEU A 60 -19.414 -14.094 -13.181 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.459 -14.647 -11.725 1.00 0.00 C ATOM 0 H LEU A 60 -19.711 -12.038 -9.833 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.877 -12.366 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.155 -11.684 -12.139 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.529 -12.115 -12.629 1.00 0.00 H new ATOM 0 HG LEU A 60 -19.362 -13.948 -11.054 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -19.690 -15.148 -13.181 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.314 -13.483 -13.260 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.761 -13.890 -14.030 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.762 -15.694 -11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.760 -14.456 -12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.976 -14.427 -10.773 1.00 0.00 H new ATOM 932 N ILE A 61 -18.110 -9.422 -10.064 1.00 0.00 N ATOM 933 CA ILE A 61 -17.824 -7.993 -10.121 1.00 0.00 C ATOM 934 C ILE A 61 -16.606 -7.638 -9.273 1.00 0.00 C ATOM 935 O ILE A 61 -15.987 -6.588 -9.463 1.00 0.00 O ATOM 936 CB ILE A 61 -19.036 -7.165 -9.644 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.831 -5.682 -9.961 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.265 -7.365 -8.152 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.878 -5.368 -11.441 1.00 0.00 C ATOM 0 H ILE A 61 -18.950 -9.663 -9.537 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.613 -7.750 -11.162 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.921 -7.512 -10.178 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.598 -5.100 -9.450 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.869 -5.363 -9.560 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.123 -6.774 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.456 -8.419 -7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.380 -7.045 -7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.725 -4.299 -11.591 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.093 -5.923 -11.956 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.849 -5.656 -11.843 1.00 0.00 H new ATOM 951 N TYR A 62 -16.259 -8.520 -8.341 1.00 0.00 N ATOM 952 CA TYR A 62 -15.115 -8.293 -7.468 1.00 0.00 C ATOM 953 C TYR A 62 -13.799 -8.422 -8.231 1.00 0.00 C ATOM 954 O TYR A 62 -12.753 -7.989 -7.749 1.00 0.00 O ATOM 955 CB TYR A 62 -15.133 -9.272 -6.293 1.00 0.00 C ATOM 956 CG TYR A 62 -16.248 -9.014 -5.302 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.247 -7.873 -4.509 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.297 -9.912 -5.158 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.260 -7.636 -3.600 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.314 -9.680 -4.251 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.291 -8.541 -3.476 1.00 0.00 C ATOM 962 OH TYR A 62 -19.302 -8.309 -2.571 1.00 0.00 O ATOM 0 H TYR A 62 -16.753 -9.396 -8.172 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.190 -7.275 -7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.230 -10.287 -6.679 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.177 -9.219 -5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.441 -7.160 -4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.319 -10.806 -5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.244 -6.745 -2.989 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.123 -10.388 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.950 -9.043 -2.610 1.00 0.00 H new ATOM 972 N THR A 63 -13.851 -9.014 -9.424 1.00 0.00 N ATOM 973 CA THR A 63 -12.648 -9.185 -10.232 1.00 0.00 C ATOM 974 C THR A 63 -12.246 -7.877 -10.922 1.00 0.00 C ATOM 975 O THR A 63 -11.103 -7.439 -10.789 1.00 0.00 O ATOM 976 CB THR A 63 -12.818 -10.297 -11.290 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.194 -11.525 -10.657 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.528 -10.499 -12.072 1.00 0.00 C ATOM 0 H THR A 63 -14.704 -9.379 -9.847 1.00 0.00 H new ATOM 0 HA THR A 63 -11.855 -9.481 -9.546 1.00 0.00 H new ATOM 0 HB THR A 63 -13.603 -9.992 -11.982 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.301 -12.224 -11.336 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.670 -11.287 -12.812 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.260 -9.571 -12.577 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.729 -10.784 -11.388 1.00 0.00 H new ATOM 986 N PRO A 64 -13.169 -7.224 -11.664 1.00 0.00 N ATOM 987 CA PRO A 64 -12.868 -5.960 -12.344 1.00 0.00 C ATOM 988 C PRO A 64 -12.585 -4.836 -11.356 1.00 0.00 C ATOM 989 O PRO A 64 -11.706 -4.003 -11.582 1.00 0.00 O ATOM 990 CB PRO A 64 -14.138 -5.662 -13.147 1.00 0.00 C ATOM 991 CG PRO A 64 -15.213 -6.423 -12.455 1.00 0.00 C ATOM 992 CD PRO A 64 -14.556 -7.661 -11.916 1.00 0.00 C ATOM 0 HA PRO A 64 -11.974 -6.034 -12.964 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.356 -4.594 -13.161 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.034 -5.980 -14.184 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.654 -5.833 -11.652 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.019 -6.676 -13.144 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.040 -8.009 -11.004 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.596 -8.482 -12.632 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.334 -4.816 -10.256 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.155 -3.794 -9.231 1.00 0.00 C ATOM 1002 C ILE A 65 -11.778 -3.909 -8.583 1.00 0.00 C ATOM 1003 O ILE A 65 -11.074 -2.912 -8.421 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.241 -3.891 -8.139 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.618 -3.588 -8.735 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.929 -2.938 -6.993 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.762 -3.779 -7.762 1.00 0.00 C ATOM 0 H ILE A 65 -14.068 -5.494 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.242 -2.827 -9.726 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.251 -4.907 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.629 -2.560 -9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.778 -4.231 -9.600 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.705 -3.019 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.964 -3.197 -6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.895 -1.916 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.704 -3.545 -8.258 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.779 -4.814 -7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.627 -3.116 -6.907 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.403 -5.130 -8.214 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.109 -5.375 -7.586 1.00 0.00 C ATOM 1021 C PHE A 66 -8.973 -4.924 -8.499 1.00 0.00 C ATOM 1022 O PHE A 66 -7.964 -4.394 -8.033 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.955 -6.861 -7.252 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.635 -7.205 -6.622 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.393 -6.921 -5.287 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.634 -7.814 -7.366 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.179 -7.236 -4.706 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.419 -8.131 -6.789 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.190 -7.843 -5.457 1.00 0.00 C ATOM 0 H PHE A 66 -11.976 -5.964 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.062 -4.797 -6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.758 -7.158 -6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.075 -7.444 -8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.162 -6.448 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.807 -8.043 -8.407 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.003 -7.008 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.648 -8.604 -7.379 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.241 -8.091 -5.004 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.146 -5.135 -9.799 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.136 -4.749 -10.777 1.00 0.00 C ATOM 1041 C ASN A 67 -7.985 -3.232 -10.835 1.00 0.00 C ATOM 1042 O ASN A 67 -6.884 -2.717 -11.019 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.500 -5.294 -12.160 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.597 -6.809 -12.182 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.791 -7.470 -11.360 1.00 0.00 O flip ATOM 1046 ND2 ASN A 67 -9.389 -7.378 -12.935 1.00 0.00 N flip ATOM 0 H ASN A 67 -9.976 -5.571 -10.200 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.183 -5.177 -10.467 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.452 -4.868 -12.476 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.751 -4.971 -12.883 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.990 -6.831 -13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.443 -8.397 -12.943 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.099 -2.524 -10.677 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.091 -1.064 -10.710 1.00 0.00 C ATOM 1055 C GLU A 68 -8.299 -0.499 -9.536 1.00 0.00 C ATOM 1056 O GLU A 68 -7.605 0.508 -9.668 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.523 -0.526 -10.680 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.605 0.992 -10.714 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.035 1.499 -10.717 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.613 1.637 -11.815 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.575 1.758 -9.621 1.00 0.00 O ATOM 0 H GLU A 68 -10.019 -2.937 -10.525 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.610 -0.748 -11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.072 -0.930 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.019 -0.888 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.081 1.400 -9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.091 1.360 -11.602 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.410 -1.156 -8.387 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.709 -0.725 -7.183 1.00 0.00 C ATOM 1070 C TYR A 69 -6.205 -0.958 -7.311 1.00 0.00 C ATOM 1071 O TYR A 69 -5.398 -0.089 -6.977 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.252 -1.475 -5.963 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.694 -0.987 -4.646 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.290 0.069 -3.970 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.573 -1.581 -4.080 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.784 0.519 -2.765 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.062 -1.137 -2.877 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.671 -0.087 -2.222 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.164 0.360 -1.025 1.00 0.00 O ATOM 0 H TYR A 69 -8.981 -1.992 -8.264 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.879 0.344 -7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.338 -1.380 -5.944 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.027 -2.536 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.162 0.546 -4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.093 -2.404 -4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.258 1.342 -2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.189 -1.610 -2.451 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.380 -0.175 -0.782 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.838 -2.137 -7.796 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.435 -2.494 -7.968 1.00 0.00 C ATOM 1091 C ILE A 70 -3.796 -1.707 -9.108 1.00 0.00 C ATOM 1092 O ILE A 70 -2.594 -1.452 -9.103 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.271 -4.005 -8.236 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.922 -4.823 -7.114 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.799 -4.365 -8.379 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.314 -4.587 -5.746 1.00 0.00 C ATOM 0 H ILE A 70 -6.495 -2.865 -8.078 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.928 -2.241 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.774 -4.246 -9.172 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.985 -4.584 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.842 -5.882 -7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.703 -5.434 -8.568 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.368 -3.809 -9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.271 -4.110 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.829 -5.202 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.257 -4.854 -5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.417 -3.535 -5.478 1.00 0.00 H new ATOM 1108 N SER A 71 -4.600 -1.329 -10.092 1.00 0.00 N ATOM 1109 CA SER A 71 -4.096 -0.582 -11.238 1.00 0.00 C ATOM 1110 C SER A 71 -3.972 0.908 -10.929 1.00 0.00 C ATOM 1111 O SER A 71 -3.024 1.561 -11.366 1.00 0.00 O ATOM 1112 CB SER A 71 -5.012 -0.786 -12.446 1.00 0.00 C ATOM 1113 OG SER A 71 -6.324 -0.325 -12.176 1.00 0.00 O ATOM 0 H SER A 71 -5.600 -1.526 -10.121 1.00 0.00 H new ATOM 0 HA SER A 71 -3.101 -0.963 -11.467 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.607 -0.255 -13.307 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.042 -1.843 -12.709 1.00 0.00 H new ATOM 0 HG SER A 71 -6.854 -1.054 -11.791 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.932 1.446 -10.184 1.00 0.00 N ATOM 1120 CA LEU A 72 -4.926 2.868 -9.845 1.00 0.00 C ATOM 1121 C LEU A 72 -4.165 3.162 -8.551 1.00 0.00 C ATOM 1122 O LEU A 72 -3.166 3.879 -8.561 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.359 3.384 -9.715 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.481 4.886 -9.449 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.832 5.631 -10.728 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.518 5.154 -8.369 1.00 0.00 C ATOM 0 H LEU A 72 -5.721 0.923 -9.804 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.411 3.382 -10.656 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.900 3.147 -10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.852 2.845 -8.906 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.517 5.251 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.914 6.697 -10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.051 5.467 -11.471 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.783 5.263 -11.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.591 6.227 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.487 4.772 -8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.220 4.655 -7.447 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.644 2.602 -7.444 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.039 2.840 -6.134 1.00 0.00 C ATOM 1140 C VAL A 73 -2.604 2.327 -6.038 1.00 0.00 C ATOM 1141 O VAL A 73 -1.688 3.097 -5.750 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.878 2.206 -5.009 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.283 2.530 -3.645 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.321 2.679 -5.094 1.00 0.00 C ATOM 0 H VAL A 73 -5.451 1.979 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.017 3.923 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.863 1.123 -5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.891 2.072 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.267 2.139 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.264 3.611 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.901 2.222 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.355 3.764 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.742 2.390 -6.057 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.409 1.032 -6.266 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.073 0.441 -6.180 1.00 0.00 C ATOM 1156 C GLU A 74 -0.072 1.218 -7.031 1.00 0.00 C ATOM 1157 O GLU A 74 1.016 1.562 -6.565 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.107 -1.025 -6.614 1.00 0.00 C ATOM 1159 CG GLU A 74 0.102 -1.832 -6.164 1.00 0.00 C ATOM 1160 CD GLU A 74 1.364 -1.476 -6.927 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.487 -1.889 -8.098 1.00 0.00 O ATOM 1162 OE2 GLU A 74 2.230 -0.784 -6.351 1.00 0.00 O ATOM 0 H GLU A 74 -3.150 0.375 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.750 0.494 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.009 -1.490 -6.217 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.177 -1.070 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.268 -1.666 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.107 -2.894 -6.293 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.441 1.498 -8.276 1.00 0.00 N ATOM 1170 CA LYS A 75 0.436 2.232 -9.180 1.00 0.00 C ATOM 1171 C LYS A 75 0.588 3.686 -8.745 1.00 0.00 C ATOM 1172 O LYS A 75 1.582 4.333 -9.065 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.089 2.174 -10.614 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.037 0.783 -11.225 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.258 0.831 -12.729 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.229 -0.559 -13.343 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.437 -0.519 -14.816 1.00 0.00 N ATOM 0 H LYS A 75 -1.338 1.229 -8.681 1.00 0.00 H new ATOM 0 HA LYS A 75 1.415 1.755 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.119 2.530 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.494 2.856 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.929 0.326 -11.012 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.797 0.152 -10.764 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.217 1.303 -12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.511 1.450 -13.191 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.728 -1.033 -13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.002 -1.175 -12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.410 -1.486 -15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.361 -0.090 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.315 0.048 -15.258 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.403 4.198 -8.020 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.357 5.578 -7.549 1.00 0.00 C ATOM 1193 C TYR A 76 0.847 5.788 -6.638 1.00 0.00 C ATOM 1194 O TYR A 76 1.639 6.706 -6.845 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.648 5.941 -6.809 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.770 7.417 -6.501 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.245 7.950 -5.330 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -2.410 8.277 -7.384 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.355 9.298 -5.048 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -2.524 9.627 -7.108 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.995 10.133 -5.940 1.00 0.00 C ATOM 1202 OH TYR A 76 -2.106 11.476 -5.662 1.00 0.00 O ATOM 0 H TYR A 76 -1.240 3.683 -7.748 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.260 6.231 -8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.502 5.631 -7.411 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.694 5.378 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.743 7.300 -4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.825 7.885 -8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.942 9.696 -4.133 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.025 10.282 -7.805 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.935 11.994 -6.476 1.00 0.00 H new ATOM 1212 N ILE A 77 0.982 4.928 -5.631 1.00 0.00 N ATOM 1213 CA ILE A 77 2.096 5.021 -4.694 1.00 0.00 C ATOM 1214 C ILE A 77 3.422 4.761 -5.401 1.00 0.00 C ATOM 1215 O ILE A 77 4.412 5.454 -5.164 1.00 0.00 O ATOM 1216 CB ILE A 77 1.951 4.016 -3.534 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.589 4.174 -2.853 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.079 4.207 -2.529 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.305 3.106 -1.816 1.00 0.00 C ATOM 0 H ILE A 77 0.335 4.162 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 77 2.083 6.033 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 77 2.014 3.006 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.541 5.153 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.193 4.150 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.966 3.492 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.037 4.046 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.043 5.220 -2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.676 3.280 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.321 2.125 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.066 3.144 -1.036 1.00 0.00 H new ATOM 1231 N GLU A 78 3.432 3.755 -6.270 1.00 0.00 N ATOM 1232 CA GLU A 78 4.636 3.389 -7.009 1.00 0.00 C ATOM 1233 C GLU A 78 5.173 4.567 -7.818 1.00 0.00 C ATOM 1234 O GLU A 78 6.354 4.896 -7.734 1.00 0.00 O ATOM 1235 CB GLU A 78 4.348 2.207 -7.937 1.00 0.00 C ATOM 1236 CG GLU A 78 5.569 1.721 -8.702 1.00 0.00 C ATOM 1237 CD GLU A 78 5.248 0.582 -9.650 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.887 0.861 -10.812 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.356 -0.589 -9.227 1.00 0.00 O ATOM 0 H GLU A 78 2.618 3.177 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 78 5.397 3.101 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.947 1.382 -7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.575 2.495 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.993 2.551 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.331 1.396 -7.994 1.00 0.00 H new ATOM 1246 N GLU A 79 4.303 5.202 -8.595 1.00 0.00 N ATOM 1247 CA GLU A 79 4.704 6.338 -9.421 1.00 0.00 C ATOM 1248 C GLU A 79 5.300 7.458 -8.574 1.00 0.00 C ATOM 1249 O GLU A 79 6.375 7.975 -8.878 1.00 0.00 O ATOM 1250 CB GLU A 79 3.507 6.870 -10.217 1.00 0.00 C ATOM 1251 CG GLU A 79 3.021 5.917 -11.298 1.00 0.00 C ATOM 1252 CD GLU A 79 4.088 5.615 -12.331 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.180 6.363 -13.327 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.833 4.630 -12.144 1.00 0.00 O ATOM 0 H GLU A 79 3.317 4.951 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 79 5.470 5.988 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.686 7.075 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.781 7.819 -10.678 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.694 4.986 -10.836 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.152 6.349 -11.794 1.00 0.00 H new ATOM 1261 N GLN A 80 4.599 7.822 -7.506 1.00 0.00 N ATOM 1262 CA GLN A 80 5.048 8.887 -6.614 1.00 0.00 C ATOM 1263 C GLN A 80 6.420 8.583 -6.015 1.00 0.00 C ATOM 1264 O GLN A 80 7.201 9.497 -5.743 1.00 0.00 O ATOM 1265 CB GLN A 80 4.029 9.097 -5.492 1.00 0.00 C ATOM 1266 CG GLN A 80 2.646 9.484 -5.989 1.00 0.00 C ATOM 1267 CD GLN A 80 2.610 10.869 -6.604 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.824 11.034 -7.805 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.338 11.874 -5.781 1.00 0.00 N ATOM 0 H GLN A 80 3.714 7.394 -7.235 1.00 0.00 H new ATOM 0 HA GLN A 80 5.135 9.798 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.952 8.181 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.395 9.874 -4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.313 8.755 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.941 9.442 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.167 11.691 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.300 12.829 -6.137 1.00 0.00 H new ATOM 1278 N LEU A 81 6.713 7.302 -5.811 1.00 0.00 N ATOM 1279 CA LEU A 81 7.989 6.895 -5.228 1.00 0.00 C ATOM 1280 C LEU A 81 9.105 6.919 -6.265 1.00 0.00 C ATOM 1281 O LEU A 81 10.236 7.309 -5.973 1.00 0.00 O ATOM 1282 CB LEU A 81 7.870 5.495 -4.624 1.00 0.00 C ATOM 1283 CG LEU A 81 7.014 5.405 -3.360 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.793 3.953 -2.968 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.666 6.174 -2.219 1.00 0.00 C ATOM 0 H LEU A 81 6.087 6.530 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 81 8.240 7.608 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.452 4.826 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.871 5.129 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 81 6.044 5.856 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.182 3.908 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.283 3.431 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.755 3.477 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.043 6.099 -1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.649 5.752 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.773 7.222 -2.500 1.00 0.00 H new ATOM 1297 N LEU A 82 8.771 6.502 -7.477 1.00 0.00 N ATOM 1298 CA LEU A 82 9.734 6.441 -8.569 1.00 0.00 C ATOM 1299 C LEU A 82 10.165 7.831 -9.020 1.00 0.00 C ATOM 1300 O LEU A 82 11.235 7.997 -9.606 1.00 0.00 O ATOM 1301 CB LEU A 82 9.137 5.662 -9.744 1.00 0.00 C ATOM 1302 CG LEU A 82 8.937 4.150 -9.528 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.938 3.362 -10.356 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.070 3.757 -8.060 1.00 0.00 C ATOM 0 H LEU A 82 7.831 6.198 -7.732 1.00 0.00 H new ATOM 0 HA LEU A 82 10.623 5.925 -8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.172 6.103 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.783 5.801 -10.611 1.00 0.00 H new ATOM 0 HG LEU A 82 7.923 3.912 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.785 2.295 -10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.798 3.592 -11.412 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.951 3.633 -10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.921 2.682 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.064 4.022 -7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.319 4.286 -7.472 1.00 0.00 H new ATOM 1316 N GLN A 83 9.328 8.828 -8.750 1.00 0.00 N ATOM 1317 CA GLN A 83 9.636 10.202 -9.130 1.00 0.00 C ATOM 1318 C GLN A 83 10.959 10.655 -8.516 1.00 0.00 C ATOM 1319 O GLN A 83 11.563 11.624 -8.973 1.00 0.00 O ATOM 1320 CB GLN A 83 8.507 11.142 -8.703 1.00 0.00 C ATOM 1321 CG GLN A 83 7.264 11.032 -9.574 1.00 0.00 C ATOM 1322 CD GLN A 83 6.193 12.033 -9.190 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.338 11.754 -8.349 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.232 13.208 -9.808 1.00 0.00 N ATOM 0 H GLN A 83 8.435 8.711 -8.271 1.00 0.00 H new ATOM 0 HA GLN A 83 9.732 10.238 -10.215 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.237 10.927 -7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.870 12.169 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.541 11.184 -10.617 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.858 10.023 -9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.958 13.397 -10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.536 13.921 -9.592 1.00 0.00 H new ATOM 1333 N ARG A 84 11.403 9.947 -7.479 1.00 0.00 N ATOM 1334 CA ARG A 84 12.656 10.276 -6.807 1.00 0.00 C ATOM 1335 C ARG A 84 13.630 9.101 -6.858 1.00 0.00 C ATOM 1336 O ARG A 84 14.829 9.266 -6.628 1.00 0.00 O ATOM 1337 CB ARG A 84 12.394 10.666 -5.351 1.00 0.00 C ATOM 1338 CG ARG A 84 11.363 11.772 -5.187 1.00 0.00 C ATOM 1339 CD ARG A 84 11.208 12.178 -3.729 1.00 0.00 C ATOM 1340 NE ARG A 84 10.174 13.194 -3.552 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.846 13.717 -2.373 1.00 0.00 C ATOM 1342 NH1 ARG A 84 10.473 13.326 -1.270 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.889 14.633 -2.296 1.00 0.00 N ATOM 0 H ARG A 84 10.913 9.143 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 84 13.104 11.121 -7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.058 9.785 -4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.331 10.986 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.660 12.639 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.402 11.436 -5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.960 11.300 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.159 12.559 -3.356 1.00 0.00 H new ATOM 0 HE ARG A 84 9.675 13.521 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.209 12.622 -1.324 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.218 13.729 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.404 14.937 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.638 15.034 -1.392 1.00 0.00 H new ATOM 1357 N ILE A 85 13.108 7.915 -7.161 1.00 0.00 N ATOM 1358 CA ILE A 85 13.930 6.710 -7.235 1.00 0.00 C ATOM 1359 C ILE A 85 13.651 5.932 -8.523 1.00 0.00 C ATOM 1360 O ILE A 85 12.682 5.175 -8.595 1.00 0.00 O ATOM 1361 CB ILE A 85 13.672 5.788 -6.026 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.773 6.583 -4.721 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.657 4.626 -6.024 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.299 5.816 -3.505 1.00 0.00 C ATOM 0 H ILE A 85 12.119 7.763 -7.359 1.00 0.00 H new ATOM 0 HA ILE A 85 14.972 7.031 -7.227 1.00 0.00 H new ATOM 0 HB ILE A 85 12.664 5.382 -6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.809 6.885 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.186 7.496 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.462 3.985 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.541 4.049 -6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.675 5.012 -5.965 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.400 6.442 -2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.253 5.537 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.902 4.916 -3.385 1.00 0.00 H new ATOM 1376 N PRO A 86 14.491 6.110 -9.563 1.00 0.00 N ATOM 1377 CA PRO A 86 14.314 5.418 -10.842 1.00 0.00 C ATOM 1378 C PRO A 86 14.767 3.963 -10.789 1.00 0.00 C ATOM 1379 O PRO A 86 14.536 3.195 -11.722 1.00 0.00 O ATOM 1380 CB PRO A 86 15.199 6.217 -11.795 1.00 0.00 C ATOM 1381 CG PRO A 86 16.289 6.750 -10.932 1.00 0.00 C ATOM 1382 CD PRO A 86 15.673 6.997 -9.578 1.00 0.00 C ATOM 0 HA PRO A 86 13.266 5.374 -11.140 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.595 5.587 -12.591 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.642 7.022 -12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.112 6.039 -10.861 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.699 7.671 -11.347 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.366 6.754 -8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.391 8.042 -9.451 1.00 0.00 H new ATOM 1390 N GLU A 87 15.412 3.596 -9.692 1.00 0.00 N ATOM 1391 CA GLU A 87 15.902 2.235 -9.506 1.00 0.00 C ATOM 1392 C GLU A 87 15.103 1.525 -8.419 1.00 0.00 C ATOM 1393 O GLU A 87 15.525 0.495 -7.893 1.00 0.00 O ATOM 1394 CB GLU A 87 17.387 2.254 -9.138 1.00 0.00 C ATOM 1395 CG GLU A 87 18.266 2.901 -10.197 1.00 0.00 C ATOM 1396 CD GLU A 87 19.732 2.920 -9.806 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.157 3.892 -9.147 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.453 1.963 -10.160 1.00 0.00 O ATOM 0 H GLU A 87 15.610 4.224 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 87 15.777 1.691 -10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.513 2.788 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.725 1.231 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.152 2.362 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.927 3.922 -10.371 1.00 0.00 H new ATOM 1405 N PHE A 88 13.944 2.085 -8.098 1.00 0.00 N ATOM 1406 CA PHE A 88 13.073 1.525 -7.072 1.00 0.00 C ATOM 1407 C PHE A 88 12.511 0.171 -7.494 1.00 0.00 C ATOM 1408 O PHE A 88 12.291 -0.084 -8.678 1.00 0.00 O ATOM 1409 CB PHE A 88 11.921 2.486 -6.777 1.00 0.00 C ATOM 1410 CG PHE A 88 11.188 2.171 -5.505 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.727 2.513 -4.275 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.959 1.535 -5.540 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.054 2.225 -3.103 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.280 1.243 -4.371 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.828 1.589 -3.151 1.00 0.00 C ATOM 0 H PHE A 88 13.583 2.932 -8.537 1.00 0.00 H new ATOM 0 HA PHE A 88 13.672 1.382 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.312 3.502 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.216 2.462 -7.608 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.685 3.011 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.525 1.264 -6.491 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.485 2.497 -2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.323 0.745 -4.412 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.299 1.363 -2.237 1.00 0.00 H new ATOM 1425 N ASN A 89 12.286 -0.694 -6.511 1.00 0.00 N ATOM 1426 CA ASN A 89 11.736 -2.021 -6.757 1.00 0.00 C ATOM 1427 C ASN A 89 10.561 -2.291 -5.821 1.00 0.00 C ATOM 1428 O ASN A 89 10.734 -2.827 -4.728 1.00 0.00 O ATOM 1429 CB ASN A 89 12.816 -3.092 -6.576 1.00 0.00 C ATOM 1430 CG ASN A 89 13.640 -2.877 -5.320 1.00 0.00 C ATOM 1431 OD1 ASN A 89 13.222 -3.496 -4.222 1.00 0.00 O flip ATOM 1432 ND2 ASN A 89 14.643 -2.165 -5.338 1.00 0.00 N flip ATOM 0 H ASN A 89 12.478 -0.497 -5.529 1.00 0.00 H new ATOM 0 HA ASN A 89 11.379 -2.060 -7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.346 -4.075 -6.535 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.475 -3.090 -7.444 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.928 -1.708 -6.204 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.189 -2.032 -4.487 1.00 0.00 H new ATOM 1439 N MET A 90 9.365 -1.905 -6.255 1.00 0.00 N ATOM 1440 CA MET A 90 8.163 -2.092 -5.449 1.00 0.00 C ATOM 1441 C MET A 90 7.857 -3.573 -5.249 1.00 0.00 C ATOM 1442 O MET A 90 7.157 -3.949 -4.309 1.00 0.00 O ATOM 1443 CB MET A 90 6.971 -1.392 -6.106 1.00 0.00 C ATOM 1444 CG MET A 90 5.756 -1.275 -5.199 1.00 0.00 C ATOM 1445 SD MET A 90 6.124 -0.423 -3.653 1.00 0.00 S ATOM 1446 CE MET A 90 4.494 -0.332 -2.915 1.00 0.00 C ATOM 0 H MET A 90 9.202 -1.461 -7.159 1.00 0.00 H new ATOM 0 HA MET A 90 8.342 -1.648 -4.470 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.276 -0.394 -6.421 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.690 -1.939 -7.006 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.965 -0.740 -5.725 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.375 -2.272 -4.978 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.589 -0.185 -1.839 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.945 0.504 -3.348 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.955 -1.259 -3.108 1.00 0.00 H new ATOM 1456 N ALA A 91 8.385 -4.412 -6.136 1.00 0.00 N ATOM 1457 CA ALA A 91 8.161 -5.851 -6.052 1.00 0.00 C ATOM 1458 C ALA A 91 8.866 -6.452 -4.840 1.00 0.00 C ATOM 1459 O ALA A 91 8.230 -7.056 -3.973 1.00 0.00 O ATOM 1460 CB ALA A 91 8.633 -6.532 -7.328 1.00 0.00 C ATOM 0 H ALA A 91 8.970 -4.120 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 91 7.090 -6.019 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.460 -7.606 -7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.080 -6.134 -8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.698 -6.345 -7.468 1.00 0.00 H new ATOM 1466 N ALA A 92 10.182 -6.277 -4.782 1.00 0.00 N ATOM 1467 CA ALA A 92 10.976 -6.804 -3.678 1.00 0.00 C ATOM 1468 C ALA A 92 10.706 -6.035 -2.392 1.00 0.00 C ATOM 1469 O ALA A 92 10.887 -6.560 -1.293 1.00 0.00 O ATOM 1470 CB ALA A 92 12.456 -6.757 -4.024 1.00 0.00 C ATOM 0 H ALA A 92 10.721 -5.774 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 92 10.685 -7.842 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.037 -7.153 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.641 -7.358 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.752 -5.726 -4.215 1.00 0.00 H new ATOM 1476 N PHE A 93 10.275 -4.786 -2.537 1.00 0.00 N ATOM 1477 CA PHE A 93 9.983 -3.940 -1.388 1.00 0.00 C ATOM 1478 C PHE A 93 8.748 -4.438 -0.643 1.00 0.00 C ATOM 1479 O PHE A 93 8.781 -4.622 0.572 1.00 0.00 O ATOM 1480 CB PHE A 93 9.778 -2.491 -1.832 1.00 0.00 C ATOM 1481 CG PHE A 93 9.503 -1.550 -0.694 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.513 -1.192 0.183 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.235 -1.026 -0.502 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.264 -0.328 1.232 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.979 -0.163 0.545 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.994 0.188 1.413 1.00 0.00 C ATOM 0 H PHE A 93 10.120 -4.338 -3.440 1.00 0.00 H new ATOM 0 HA PHE A 93 10.835 -3.986 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.666 -2.154 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.948 -2.449 -2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.506 -1.593 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.438 -1.296 -1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.060 -0.056 1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.986 0.237 0.685 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.796 0.864 2.232 1.00 0.00 H new ATOM 1496 N THR A 94 7.662 -4.652 -1.380 1.00 0.00 N ATOM 1497 CA THR A 94 6.416 -5.128 -0.789 1.00 0.00 C ATOM 1498 C THR A 94 6.600 -6.488 -0.126 1.00 0.00 C ATOM 1499 O THR A 94 6.163 -6.702 1.005 1.00 0.00 O ATOM 1500 CB THR A 94 5.296 -5.233 -1.839 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.754 -5.986 -2.969 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.845 -3.853 -2.288 1.00 0.00 C ATOM 0 H THR A 94 7.620 -4.503 -2.388 1.00 0.00 H new ATOM 0 HA THR A 94 6.131 -4.395 -0.035 1.00 0.00 H new ATOM 0 HB THR A 94 4.447 -5.743 -1.385 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.278 -5.405 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.053 -3.953 -3.030 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.470 -3.296 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.688 -3.320 -2.727 1.00 0.00 H new ATOM 1510 N THR A 95 7.245 -7.407 -0.840 1.00 0.00 N ATOM 1511 CA THR A 95 7.489 -8.745 -0.318 1.00 0.00 C ATOM 1512 C THR A 95 8.268 -8.693 0.993 1.00 0.00 C ATOM 1513 O THR A 95 7.885 -9.319 1.982 1.00 0.00 O ATOM 1514 CB THR A 95 8.267 -9.604 -1.330 1.00 0.00 C ATOM 1515 OG1 THR A 95 9.485 -8.945 -1.697 1.00 0.00 O ATOM 1516 CG2 THR A 95 7.431 -9.865 -2.574 1.00 0.00 C ATOM 0 H THR A 95 7.607 -7.248 -1.780 1.00 0.00 H new ATOM 0 HA THR A 95 6.514 -9.198 -0.138 1.00 0.00 H new ATOM 0 HB THR A 95 8.498 -10.560 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.975 -9.498 -2.340 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.002 -10.474 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.518 -10.392 -2.295 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.173 -8.916 -3.045 1.00 0.00 H new ATOM 1524 N THR A 96 9.362 -7.940 0.989 1.00 0.00 N ATOM 1525 CA THR A 96 10.205 -7.798 2.171 1.00 0.00 C ATOM 1526 C THR A 96 9.488 -7.027 3.276 1.00 0.00 C ATOM 1527 O THR A 96 9.744 -7.241 4.461 1.00 0.00 O ATOM 1528 CB THR A 96 11.524 -7.082 1.825 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.200 -7.780 0.773 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.436 -6.995 3.042 1.00 0.00 C ATOM 0 H THR A 96 9.687 -7.416 0.177 1.00 0.00 H new ATOM 0 HA THR A 96 10.425 -8.804 2.529 1.00 0.00 H new ATOM 0 HB THR A 96 11.282 -6.071 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.858 -7.476 -0.094 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.360 -6.485 2.769 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.934 -6.438 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.667 -8.000 3.396 1.00 0.00 H new ATOM 1538 N LEU A 97 8.589 -6.130 2.883 1.00 0.00 N ATOM 1539 CA LEU A 97 7.841 -5.322 3.842 1.00 0.00 C ATOM 1540 C LEU A 97 6.962 -6.200 4.727 1.00 0.00 C ATOM 1541 O LEU A 97 6.930 -6.031 5.947 1.00 0.00 O ATOM 1542 CB LEU A 97 6.980 -4.289 3.111 1.00 0.00 C ATOM 1543 CG LEU A 97 6.898 -2.914 3.782 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.108 -1.948 2.912 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.268 -3.026 5.162 1.00 0.00 C ATOM 0 H LEU A 97 8.360 -5.944 1.907 1.00 0.00 H new ATOM 0 HA LEU A 97 8.559 -4.802 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.373 -4.160 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.970 -4.687 3.011 1.00 0.00 H new ATOM 0 HG LEU A 97 7.910 -2.527 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.058 -0.975 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.600 -1.843 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.099 -2.333 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.219 -2.039 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.261 -3.434 5.070 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.871 -3.686 5.785 1.00 0.00 H new ATOM 1557 N GLN A 98 6.249 -7.138 4.105 1.00 0.00 N ATOM 1558 CA GLN A 98 5.369 -8.042 4.839 1.00 0.00 C ATOM 1559 C GLN A 98 6.119 -8.703 5.989 1.00 0.00 C ATOM 1560 O GLN A 98 5.546 -8.980 7.043 1.00 0.00 O ATOM 1561 CB GLN A 98 4.798 -9.111 3.906 1.00 0.00 C ATOM 1562 CG GLN A 98 3.956 -8.546 2.773 1.00 0.00 C ATOM 1563 CD GLN A 98 3.360 -9.628 1.894 1.00 0.00 C ATOM 1564 OE1 GLN A 98 3.082 -10.736 2.355 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.161 -9.313 0.620 1.00 0.00 N ATOM 0 H GLN A 98 6.264 -7.291 3.097 1.00 0.00 H new ATOM 0 HA GLN A 98 4.546 -7.456 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.620 -9.688 3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.190 -9.802 4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.153 -7.939 3.190 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.571 -7.885 2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.406 -8.383 0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.763 -10.001 -0.019 1.00 0.00 H new ATOM 1574 N HIS A 99 7.403 -8.955 5.773 1.00 0.00 N ATOM 1575 CA HIS A 99 8.245 -9.567 6.790 1.00 0.00 C ATOM 1576 C HIS A 99 8.682 -8.522 7.811 1.00 0.00 C ATOM 1577 O HIS A 99 8.636 -8.756 9.021 1.00 0.00 O ATOM 1578 CB HIS A 99 9.466 -10.218 6.134 1.00 0.00 C ATOM 1579 CG HIS A 99 10.553 -10.583 7.095 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.412 -11.560 8.059 1.00 0.00 N ATOM 1581 CD2 HIS A 99 11.807 -10.093 7.237 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.533 -11.655 8.752 1.00 0.00 C ATOM 1583 NE2 HIS A 99 12.393 -10.776 8.274 1.00 0.00 N ATOM 0 H HIS A 99 7.885 -8.744 4.899 1.00 0.00 H new ATOM 0 HA HIS A 99 7.673 -10.337 7.308 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.146 -11.116 5.606 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.871 -9.536 5.386 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.261 -9.312 6.646 1.00 0.00 H new ATOM 0 HE1 HIS A 99 11.714 -12.336 9.570 1.00 0.00 H new ATOM 0 HE2 HIS A 99 13.341 -10.628 8.619 1.00 0.00 H new ATOM 1592 N HIS A 100 9.081 -7.356 7.313 1.00 0.00 N ATOM 1593 CA HIS A 100 9.528 -6.267 8.175 1.00 0.00 C ATOM 1594 C HIS A 100 8.366 -5.701 8.980 1.00 0.00 C ATOM 1595 O HIS A 100 8.545 -4.789 9.789 1.00 0.00 O ATOM 1596 CB HIS A 100 10.180 -5.161 7.344 1.00 0.00 C ATOM 1597 CG HIS A 100 11.591 -5.464 6.947 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.614 -4.544 7.043 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.150 -6.594 6.451 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.740 -5.094 6.623 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.484 -6.337 6.261 1.00 0.00 N ATOM 0 H HIS A 100 9.104 -7.141 6.316 1.00 0.00 H new ATOM 0 HA HIS A 100 10.266 -6.667 8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.586 -4.995 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.163 -4.232 7.914 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.517 -3.588 7.385 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.641 -7.523 6.244 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.704 -4.609 6.583 1.00 0.00 H new ATOM 1610 N LYS A 101 7.173 -6.239 8.750 1.00 0.00 N ATOM 1611 CA LYS A 101 5.984 -5.795 9.465 1.00 0.00 C ATOM 1612 C LYS A 101 6.142 -6.041 10.963 1.00 0.00 C ATOM 1613 O LYS A 101 5.453 -5.426 11.778 1.00 0.00 O ATOM 1614 CB LYS A 101 4.742 -6.520 8.943 1.00 0.00 C ATOM 1615 CG LYS A 101 3.441 -6.017 9.548 1.00 0.00 C ATOM 1616 CD LYS A 101 2.224 -6.656 8.893 1.00 0.00 C ATOM 1617 CE LYS A 101 2.142 -8.149 9.178 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.998 -8.945 8.254 1.00 0.00 N ATOM 0 H LYS A 101 7.005 -6.984 8.073 1.00 0.00 H new ATOM 0 HA LYS A 101 5.861 -4.725 9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.696 -6.409 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.840 -7.586 9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.432 -6.230 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.385 -4.934 9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.319 -6.168 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.265 -6.494 7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.447 -8.338 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.107 -8.479 9.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.410 -9.634 7.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.457 -8.309 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.725 -9.449 8.801 1.00 0.00 H new ATOM 1632 N ASP A 102 7.054 -6.943 11.320 1.00 0.00 N ATOM 1633 CA ASP A 102 7.297 -7.264 12.724 1.00 0.00 C ATOM 1634 C ASP A 102 8.032 -6.124 13.425 1.00 0.00 C ATOM 1635 O ASP A 102 8.083 -6.068 14.654 1.00 0.00 O ATOM 1636 CB ASP A 102 8.107 -8.557 12.847 1.00 0.00 C ATOM 1637 CG ASP A 102 9.554 -8.381 12.425 1.00 0.00 C ATOM 1638 OD1 ASP A 102 10.354 -7.878 13.242 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.888 -8.748 11.280 1.00 0.00 O ATOM 0 H ASP A 102 7.634 -7.462 10.660 1.00 0.00 H new ATOM 0 HA ASP A 102 6.330 -7.403 13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.073 -8.906 13.879 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.645 -9.331 12.234 1.00 0.00 H new ATOM 1644 N GLU A 103 8.599 -5.219 12.635 1.00 0.00 N ATOM 1645 CA GLU A 103 9.336 -4.082 13.176 1.00 0.00 C ATOM 1646 C GLU A 103 8.607 -2.771 12.897 1.00 0.00 C ATOM 1647 O GLU A 103 8.214 -2.061 13.824 1.00 0.00 O ATOM 1648 CB GLU A 103 10.744 -4.033 12.578 1.00 0.00 C ATOM 1649 CG GLU A 103 11.599 -2.898 13.120 1.00 0.00 C ATOM 1650 CD GLU A 103 11.825 -3.000 14.615 1.00 0.00 C ATOM 1651 OE1 GLU A 103 10.998 -2.458 15.379 1.00 0.00 O ATOM 1652 OE2 GLU A 103 12.829 -3.620 15.024 1.00 0.00 O ATOM 0 H GLU A 103 8.562 -5.250 11.616 1.00 0.00 H new ATOM 0 HA GLU A 103 9.408 -4.210 14.256 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.246 -4.980 12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.666 -3.933 11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.562 -2.898 12.610 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.119 -1.946 12.893 1.00 0.00 H new ATOM 1659 N VAL A 104 8.428 -2.454 11.617 1.00 0.00 N ATOM 1660 CA VAL A 104 7.748 -1.226 11.220 1.00 0.00 C ATOM 1661 C VAL A 104 6.342 -1.158 11.809 1.00 0.00 C ATOM 1662 O VAL A 104 5.821 -2.154 12.311 1.00 0.00 O ATOM 1663 CB VAL A 104 7.653 -1.102 9.686 1.00 0.00 C ATOM 1664 CG1 VAL A 104 9.025 -1.259 9.049 1.00 0.00 C ATOM 1665 CG2 VAL A 104 6.674 -2.121 9.120 1.00 0.00 C ATOM 0 H VAL A 104 8.745 -3.031 10.838 1.00 0.00 H new ATOM 0 HA VAL A 104 8.344 -0.400 11.608 1.00 0.00 H new ATOM 0 HB VAL A 104 7.279 -0.106 9.448 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.936 -1.168 7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.692 -0.483 9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.432 -2.239 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.624 -2.014 8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.011 -3.127 9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.686 -1.952 9.547 1.00 0.00 H new ATOM 1675 N ALA A 105 5.735 0.022 11.743 1.00 0.00 N ATOM 1676 CA ALA A 105 4.389 0.217 12.266 1.00 0.00 C ATOM 1677 C ALA A 105 3.394 -0.694 11.558 1.00 0.00 C ATOM 1678 O ALA A 105 3.053 -0.473 10.395 1.00 0.00 O ATOM 1679 CB ALA A 105 3.972 1.671 12.121 1.00 0.00 C ATOM 0 H ALA A 105 6.154 0.857 11.333 1.00 0.00 H new ATOM 0 HA ALA A 105 4.393 -0.042 13.325 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.964 1.802 12.516 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.664 2.305 12.675 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.988 1.951 11.068 1.00 0.00 H new ATOM 1685 N GLY A 106 2.934 -1.721 12.265 1.00 0.00 N ATOM 1686 CA GLY A 106 1.982 -2.651 11.691 1.00 0.00 C ATOM 1687 C GLY A 106 0.650 -1.998 11.382 1.00 0.00 C ATOM 1688 O GLY A 106 -0.043 -2.399 10.448 1.00 0.00 O ATOM 0 H GLY A 106 3.205 -1.925 13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.397 -3.073 10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.826 -3.479 12.382 1.00 0.00 H new ATOM 1692 N ASP A 107 0.291 -0.991 12.171 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.970 -0.282 11.985 1.00 0.00 C ATOM 1694 C ASP A 107 -0.987 0.485 10.667 1.00 0.00 C ATOM 1695 O ASP A 107 -2.015 0.543 9.989 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.217 0.678 13.149 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.334 -0.041 14.478 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.421 -0.587 14.764 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -0.339 -0.058 15.234 1.00 0.00 O ATOM 0 H ASP A 107 0.857 -0.647 12.947 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.767 -1.025 11.957 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.402 1.400 13.200 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.131 1.242 12.963 1.00 0.00 H new ATOM 1704 N ILE A 108 0.149 1.076 10.305 1.00 0.00 N ATOM 1705 CA ILE A 108 0.245 1.842 9.066 1.00 0.00 C ATOM 1706 C ILE A 108 0.243 0.926 7.847 1.00 0.00 C ATOM 1707 O ILE A 108 -0.525 1.135 6.907 1.00 0.00 O ATOM 1708 CB ILE A 108 1.515 2.719 9.040 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.490 3.721 10.197 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.635 3.442 7.704 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.763 4.528 10.334 1.00 0.00 C ATOM 0 H ILE A 108 1.011 1.040 10.849 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.632 2.489 9.028 1.00 0.00 H new ATOM 0 HB ILE A 108 2.387 2.076 9.159 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.652 4.403 10.056 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.310 3.183 11.128 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.536 4.056 7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.693 2.710 6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.762 4.078 7.555 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.669 5.215 11.175 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.603 3.856 10.507 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.935 5.095 9.419 1.00 0.00 H new ATOM 1723 N PHE A 109 1.093 -0.097 7.866 1.00 0.00 N ATOM 1724 CA PHE A 109 1.174 -1.030 6.749 1.00 0.00 C ATOM 1725 C PHE A 109 -0.121 -1.818 6.598 1.00 0.00 C ATOM 1726 O PHE A 109 -0.469 -2.235 5.496 1.00 0.00 O ATOM 1727 CB PHE A 109 2.354 -1.992 6.902 1.00 0.00 C ATOM 1728 CG PHE A 109 2.506 -2.918 5.725 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.588 -2.411 4.435 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.554 -4.291 5.904 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.714 -3.256 3.347 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.682 -5.141 4.821 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.762 -4.622 3.541 1.00 0.00 C ATOM 0 H PHE A 109 1.730 -0.299 8.636 1.00 0.00 H new ATOM 0 HA PHE A 109 1.332 -0.436 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.272 -1.417 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.221 -2.582 7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.553 -1.343 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.491 -4.702 6.901 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.775 -2.848 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.720 -6.209 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.862 -5.285 2.694 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.829 -2.021 7.708 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.084 -2.769 7.689 1.00 0.00 C ATOM 1745 C ASP A 110 -2.992 -2.271 6.572 1.00 0.00 C ATOM 1746 O ASP A 110 -3.774 -3.035 6.007 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.798 -2.643 9.037 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.132 -3.362 9.054 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.150 -4.575 9.353 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.161 -2.713 8.766 1.00 0.00 O ATOM 0 H ASP A 110 -0.556 -1.679 8.629 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.852 -3.818 7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.160 -3.048 9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.954 -1.589 9.265 1.00 0.00 H new ATOM 1755 N MET A 111 -2.884 -0.984 6.257 1.00 0.00 N ATOM 1756 CA MET A 111 -3.681 -0.392 5.192 1.00 0.00 C ATOM 1757 C MET A 111 -3.171 -0.867 3.834 1.00 0.00 C ATOM 1758 O MET A 111 -3.944 -1.332 2.993 1.00 0.00 O ATOM 1759 CB MET A 111 -3.629 1.136 5.280 1.00 0.00 C ATOM 1760 CG MET A 111 -4.402 1.846 4.179 1.00 0.00 C ATOM 1761 SD MET A 111 -3.412 2.116 2.696 1.00 0.00 S ATOM 1762 CE MET A 111 -2.131 3.196 3.334 1.00 0.00 C ATOM 0 H MET A 111 -2.253 -0.333 6.724 1.00 0.00 H new ATOM 0 HA MET A 111 -4.718 -0.709 5.306 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.025 1.448 6.247 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.588 1.457 5.244 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.282 1.257 3.921 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.759 2.806 4.552 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.590 3.649 2.503 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.585 3.979 3.942 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.438 2.617 3.945 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.862 -0.760 3.638 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.228 -1.180 2.393 1.00 0.00 C ATOM 1774 C LEU A 112 -1.330 -2.692 2.221 1.00 0.00 C ATOM 1775 O LEU A 112 -1.259 -3.208 1.108 1.00 0.00 O ATOM 1776 CB LEU A 112 0.241 -0.752 2.371 1.00 0.00 C ATOM 1777 CG LEU A 112 0.484 0.759 2.367 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.974 1.057 2.439 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.126 1.395 1.126 1.00 0.00 C ATOM 0 H LEU A 112 -1.215 -0.383 4.330 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.750 -0.698 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.740 -1.181 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.714 -1.181 1.488 1.00 0.00 H new ATOM 0 HG LEU A 112 0.002 1.188 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.130 2.136 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.386 0.634 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.475 0.615 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.057 2.469 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.328 0.962 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.200 1.210 1.113 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.501 -3.392 3.337 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.603 -4.847 3.335 1.00 0.00 C ATOM 1793 C LEU A 113 -2.635 -5.326 2.320 1.00 0.00 C ATOM 1794 O LEU A 113 -2.542 -6.441 1.806 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.961 -5.351 4.735 1.00 0.00 C ATOM 1796 CG LEU A 113 -2.090 -6.869 4.875 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.820 -7.563 4.403 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.396 -7.243 6.318 1.00 0.00 C ATOM 0 H LEU A 113 -1.572 -2.970 4.263 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.634 -5.255 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.200 -5.003 5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.904 -4.894 5.037 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.915 -7.203 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.933 -8.642 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.640 -7.320 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.024 -7.225 5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.485 -8.326 6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.590 -6.894 6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.333 -6.777 6.624 1.00 0.00 H new ATOM 1810 N THR A 114 -3.622 -4.479 2.039 1.00 0.00 N ATOM 1811 CA THR A 114 -4.673 -4.813 1.082 1.00 0.00 C ATOM 1812 C THR A 114 -4.105 -5.101 -0.311 1.00 0.00 C ATOM 1813 O THR A 114 -4.855 -5.400 -1.240 1.00 0.00 O ATOM 1814 CB THR A 114 -5.705 -3.674 0.971 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.065 -2.476 0.517 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.373 -3.417 2.313 1.00 0.00 C ATOM 0 H THR A 114 -3.716 -3.555 2.461 1.00 0.00 H new ATOM 0 HA THR A 114 -5.159 -5.713 1.458 1.00 0.00 H new ATOM 0 HB THR A 114 -6.468 -3.974 0.253 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.643 -2.023 1.276 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.097 -2.609 2.210 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.883 -4.321 2.645 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.618 -3.136 3.047 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.783 -5.013 -0.454 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.131 -5.271 -1.736 1.00 0.00 C ATOM 1826 C PHE A 115 -2.308 -6.724 -2.165 1.00 0.00 C ATOM 1827 O PHE A 115 -2.312 -7.029 -3.357 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.635 -4.938 -1.662 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.320 -3.468 -1.754 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.037 -2.638 -2.603 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.703 -2.918 -0.994 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.744 -1.290 -2.690 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.999 -1.571 -1.078 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.275 -0.757 -1.926 1.00 0.00 C ATOM 0 H PHE A 115 -2.144 -4.765 0.301 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.606 -4.628 -2.477 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.235 -5.325 -0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.119 -5.459 -2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.834 -3.050 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.274 -3.550 -0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.311 -0.655 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.797 -1.155 -0.480 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.506 0.296 -1.992 1.00 0.00 H new ATOM 1844 N THR A 116 -2.450 -7.618 -1.191 1.00 0.00 N ATOM 1845 CA THR A 116 -2.620 -9.036 -1.486 1.00 0.00 C ATOM 1846 C THR A 116 -3.616 -9.691 -0.532 1.00 0.00 C ATOM 1847 O THR A 116 -4.307 -10.640 -0.902 1.00 0.00 O ATOM 1848 CB THR A 116 -1.278 -9.789 -1.410 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.478 -11.177 -1.703 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.649 -9.641 -0.032 1.00 0.00 C ATOM 0 H THR A 116 -2.451 -7.388 -0.197 1.00 0.00 H new ATOM 0 HA THR A 116 -3.009 -9.099 -2.502 1.00 0.00 H new ATOM 0 HB THR A 116 -0.602 -9.356 -2.147 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.620 -11.649 -1.654 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.297 -10.181 -0.004 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.470 -8.586 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.323 -10.050 0.721 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.685 -9.182 0.695 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.598 -9.728 1.693 1.00 0.00 C ATOM 1860 C ASP A 117 -6.037 -9.315 1.393 1.00 0.00 C ATOM 1861 O ASP A 117 -6.492 -8.252 1.819 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.196 -9.263 3.095 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.834 -10.099 4.188 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -4.272 -11.164 4.523 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -5.890 -9.690 4.711 1.00 0.00 O ATOM 0 H ASP A 117 -3.122 -8.396 1.020 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.536 -10.815 1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -3.111 -9.309 3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.484 -8.220 3.225 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.745 -10.161 0.648 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.130 -9.888 0.283 1.00 0.00 C ATOM 1872 C PHE A 118 -9.001 -9.749 1.527 1.00 0.00 C ATOM 1873 O PHE A 118 -10.012 -9.046 1.515 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.673 -11.006 -0.613 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.029 -10.711 -1.188 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.160 -9.888 -2.295 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.170 -11.256 -0.624 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.404 -9.614 -2.828 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.418 -10.985 -1.153 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.535 -10.163 -2.257 1.00 0.00 C ATOM 0 H PHE A 118 -6.380 -11.042 0.286 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.158 -8.947 -0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.971 -11.179 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.725 -11.929 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.279 -9.456 -2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.084 -11.900 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.492 -8.971 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.301 -11.415 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.509 -9.950 -2.673 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.598 -10.423 2.599 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.337 -10.374 3.855 1.00 0.00 C ATOM 1892 C LEU A 119 -9.311 -8.968 4.446 1.00 0.00 C ATOM 1893 O LEU A 119 -10.308 -8.494 4.989 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.747 -11.369 4.856 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.816 -12.838 4.434 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -8.066 -13.714 5.425 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -10.264 -13.290 4.313 1.00 0.00 C ATOM 0 H LEU A 119 -7.764 -11.009 2.623 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.373 -10.645 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.704 -11.107 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.269 -11.256 5.806 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.341 -12.938 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.126 -14.755 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.021 -13.406 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.512 -13.609 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.294 -14.337 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.763 -13.174 5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.773 -12.683 3.565 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.164 -8.305 4.331 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.004 -6.955 4.855 1.00 0.00 C ATOM 1911 C ALA A 120 -8.701 -5.938 3.960 1.00 0.00 C ATOM 1912 O ALA A 120 -9.123 -4.878 4.420 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.527 -6.616 4.994 1.00 0.00 C ATOM 0 H ALA A 120 -7.331 -8.682 3.879 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.468 -6.913 5.840 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.421 -5.605 5.386 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.054 -7.322 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.046 -6.679 4.018 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.813 -6.270 2.679 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.457 -5.393 1.710 1.00 0.00 C ATOM 1921 C PHE A 121 -10.951 -5.262 2.006 1.00 0.00 C ATOM 1922 O PHE A 121 -11.472 -4.155 2.176 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.243 -5.946 0.297 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.508 -4.955 -0.803 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.941 -3.691 -0.769 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.315 -5.295 -1.876 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.176 -2.783 -1.784 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.552 -4.392 -2.895 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.982 -3.134 -2.849 1.00 0.00 C ATOM 0 H PHE A 121 -8.464 -7.145 2.287 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.010 -4.402 1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.216 -6.301 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.892 -6.810 0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.308 -3.412 0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.764 -6.276 -1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.730 -1.800 -1.744 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.182 -4.669 -3.727 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.166 -2.427 -3.644 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.631 -6.402 2.086 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.063 -6.423 2.362 1.00 0.00 C ATOM 1941 C LYS A 122 -13.345 -5.937 3.780 1.00 0.00 C ATOM 1942 O LYS A 122 -14.271 -5.157 4.004 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.625 -7.833 2.171 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.129 -7.919 2.366 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.634 -9.342 2.191 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.143 -9.423 2.368 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.867 -8.603 1.356 1.00 0.00 N ATOM 0 H LYS A 122 -11.212 -7.324 1.963 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.554 -5.750 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.376 -8.182 1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.137 -8.508 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.389 -7.560 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.627 -7.265 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.363 -9.706 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.146 -9.994 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.462 -10.462 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.410 -9.083 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.877 -8.852 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.757 -7.594 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.473 -8.790 0.412 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.545 -6.407 4.732 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.710 -6.015 6.127 1.00 0.00 C ATOM 1963 C GLU A 123 -12.541 -4.508 6.282 1.00 0.00 C ATOM 1964 O GLU A 123 -13.137 -3.894 7.166 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.701 -6.750 7.012 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.898 -6.499 8.498 1.00 0.00 C ATOM 1967 CD GLU A 123 -10.932 -7.292 9.357 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.273 -8.434 9.733 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -9.835 -6.774 9.653 1.00 0.00 O ATOM 0 H GLU A 123 -11.778 -7.058 4.563 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.717 -6.288 6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.774 -7.820 6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.693 -6.444 6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.772 -5.436 8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.920 -6.758 8.774 1.00 0.00 H new ATOM 1976 N MET A 124 -11.725 -3.918 5.412 1.00 0.00 N ATOM 1977 CA MET A 124 -11.483 -2.481 5.446 1.00 0.00 C ATOM 1978 C MET A 124 -12.746 -1.718 5.071 1.00 0.00 C ATOM 1979 O MET A 124 -13.134 -0.769 5.752 1.00 0.00 O ATOM 1980 CB MET A 124 -10.341 -2.109 4.497 1.00 0.00 C ATOM 1981 CG MET A 124 -10.043 -0.618 4.452 1.00 0.00 C ATOM 1982 SD MET A 124 -8.714 -0.210 3.304 1.00 0.00 S ATOM 1983 CE MET A 124 -9.430 -0.741 1.749 1.00 0.00 C ATOM 0 H MET A 124 -11.221 -4.413 4.676 1.00 0.00 H new ATOM 0 HA MET A 124 -11.198 -2.205 6.461 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.440 -2.641 4.801 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.589 -2.451 3.492 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.946 -0.080 4.163 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.773 -0.275 5.451 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.913 -0.251 0.924 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.326 -1.822 1.651 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.487 -0.474 1.725 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.387 -2.137 3.982 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.613 -1.489 3.527 1.00 0.00 C ATOM 1995 C PHE A 125 -15.726 -1.643 4.558 1.00 0.00 C ATOM 1996 O PHE A 125 -16.443 -0.686 4.856 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.059 -2.068 2.183 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.094 -1.796 1.066 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.743 -0.496 0.738 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.540 -2.840 0.345 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.854 -0.244 -0.289 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.652 -2.592 -0.683 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.308 -1.293 -1.002 1.00 0.00 C ATOM 0 H PHE A 125 -13.079 -2.918 3.402 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.404 -0.427 3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.190 -3.145 2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.032 -1.652 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.169 0.328 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.805 -3.858 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.586 0.773 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.226 -3.415 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.614 -1.098 -1.806 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.866 -2.849 5.099 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.890 -3.124 6.101 1.00 0.00 C ATOM 2015 C LEU A 126 -16.680 -2.264 7.342 1.00 0.00 C ATOM 2016 O LEU A 126 -17.639 -1.879 8.011 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.882 -4.607 6.484 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.852 -5.489 5.697 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.508 -5.484 4.216 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.842 -6.907 6.245 1.00 0.00 C ATOM 0 H LEU A 126 -15.283 -3.651 4.860 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.859 -2.877 5.668 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.872 -4.995 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.117 -4.693 7.545 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.856 -5.081 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.212 -6.118 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.569 -4.466 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.496 -5.864 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.537 -7.522 5.674 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.838 -7.322 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.144 -6.894 7.292 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.421 -1.965 7.641 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.086 -1.145 8.800 1.00 0.00 C ATOM 2034 C ASP A 127 -15.478 0.309 8.562 1.00 0.00 C ATOM 2035 O ASP A 127 -15.976 0.984 9.464 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.590 -1.241 9.106 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.194 -0.408 10.308 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.312 -0.912 11.445 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -12.766 0.749 10.112 1.00 0.00 O ATOM 0 H ASP A 127 -14.616 -2.277 7.098 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.646 -1.520 9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.324 -2.283 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.022 -0.912 8.236 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.250 0.782 7.340 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.582 2.154 6.978 1.00 0.00 C ATOM 2046 C TYR A 128 -17.078 2.403 7.152 1.00 0.00 C ATOM 2047 O TYR A 128 -17.492 3.469 7.605 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.165 2.433 5.532 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.299 3.883 5.124 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.321 4.813 5.459 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.399 4.323 4.399 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.437 6.137 5.083 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.522 5.646 4.020 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.538 6.549 4.364 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.657 7.867 3.988 1.00 0.00 O ATOM 0 H TYR A 128 -14.837 0.235 6.585 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.038 2.830 7.638 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.129 2.122 5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.771 1.821 4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.456 4.495 6.023 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.171 3.619 4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.668 6.846 5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.384 5.971 3.457 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.490 7.990 3.487 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.880 1.407 6.787 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.330 1.507 6.909 1.00 0.00 C ATOM 2067 C ARG A 129 -19.750 1.453 8.374 1.00 0.00 C ATOM 2068 O ARG A 129 -20.725 2.090 8.775 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.009 0.379 6.129 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.527 0.421 6.192 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.148 -0.737 5.427 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.608 -0.707 5.478 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.386 -1.597 4.868 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.847 -2.582 4.163 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.705 -1.501 4.965 1.00 0.00 N ATOM 0 H ARG A 129 -17.550 0.521 6.404 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.643 2.464 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.696 0.430 5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.664 -0.579 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.850 0.386 7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.884 1.365 5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.821 -0.702 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.790 -1.679 5.842 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.056 0.038 6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.833 -2.659 4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.447 -3.263 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.123 -0.745 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.302 -2.183 4.497 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.008 0.684 9.167 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.300 0.541 10.589 1.00 0.00 C ATOM 2091 C ALA A 130 -19.202 1.882 11.308 1.00 0.00 C ATOM 2092 O ALA A 130 -19.979 2.167 12.220 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.355 -0.471 11.222 1.00 0.00 C ATOM 0 H ALA A 130 -18.200 0.150 8.848 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.323 0.179 10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -18.584 -0.568 12.283 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -18.478 -1.438 10.734 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.326 -0.132 11.102 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.243 2.704 10.891 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.046 4.018 11.496 1.00 0.00 C ATOM 2101 C GLU A 131 -19.253 4.918 11.251 1.00 0.00 C ATOM 2102 O GLU A 131 -19.557 5.798 12.058 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.784 4.679 10.936 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.517 3.878 11.187 1.00 0.00 C ATOM 2105 CD GLU A 131 -14.272 4.591 10.697 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -13.934 4.442 9.504 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -13.635 5.297 11.507 1.00 0.00 O ATOM 0 H GLU A 131 -17.591 2.484 10.138 1.00 0.00 H new ATOM 0 HA GLU A 131 -17.930 3.879 12.571 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.906 4.825 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.673 5.668 11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.422 3.680 12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.598 2.911 10.690 1.00 0.00 H new