USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 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 95 THR OG1 : rot 180:sc= -0.0136 USER MOD Set 1.2: A 96 THR OG1 : rot 85:sc= 1.02 USER MOD Set 2.1: A 80 GLN : amide:sc= -0.978 K(o=-2.5,f=-0.13) USER MOD Set 2.2: A 83 GLN : amide:sc= -1.51 K(o=-2.5,f=-0.13) USER MOD Set 3.1: A 41 GLN : amide:sc= -0.859 K(o=-0.39,f=-4.8!) USER MOD Set 3.2: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 114 THR OG1 : rot -83:sc= 0.591 USER MOD Set 3.4: A 124 MET CE :methyl 161:sc= -0.125 (180deg=-0.567) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -138:sc= -0.0963 (180deg=-0.528) USER MOD Single : A 38 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.021) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 45 MET CE :methyl 136:sc= -0.325 (180deg=-1.01) USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0322 (180deg=-0.223) USER MOD Single : A 48 TYR OH : rot -2:sc= 0.574 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 100:sc= 0.0819 USER MOD Single : A 58 ASN : amide:sc= -0.714 K(o=-0.71,f=-1.4!) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0.0099 (180deg=-0.0282) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0605 K(o=-0.061,f=-0.74) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -31:sc= 0.776 USER MOD Single : A 89 ASN : amide:sc= -7.35! K(o=-7.4!,f=-0.34) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -16:sc= 0.189 USER MOD Single : A 98 GLN : amide:sc= -2.31! K(o=-2.3!,f=-0.12) USER MOD Single : A 99 HIS : no HD1:sc=-0.00448 X(o=-0.0045,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.89) USER MOD Single : A 101 LYS NZ :NH3+ -129:sc= -1.04 (180deg=-2.88!) USER MOD Single : A 111 MET CE :methyl 139:sc= -0.308 (180deg=-1.24) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 163:sc= -0.0531 (180deg=-0.372) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 20.161 2.339 6.019 1.00 0.00 N ATOM 243 CA ALA A 19 19.410 3.586 6.126 1.00 0.00 C ATOM 244 C ALA A 19 18.448 3.762 4.954 1.00 0.00 C ATOM 245 O ALA A 19 17.462 4.493 5.055 1.00 0.00 O ATOM 246 CB ALA A 19 20.363 4.767 6.207 1.00 0.00 C ATOM 0 HA ALA A 19 18.817 3.542 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.791 5.691 6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.002 4.659 7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.980 4.799 5.309 1.00 0.00 H new ATOM 252 N GLU A 20 18.740 3.091 3.844 1.00 0.00 N ATOM 253 CA GLU A 20 17.905 3.187 2.651 1.00 0.00 C ATOM 254 C GLU A 20 16.455 2.822 2.964 1.00 0.00 C ATOM 255 O GLU A 20 15.531 3.521 2.548 1.00 0.00 O ATOM 256 CB GLU A 20 18.448 2.275 1.548 1.00 0.00 C ATOM 257 CG GLU A 20 17.640 2.327 0.262 1.00 0.00 C ATOM 258 CD GLU A 20 17.675 3.691 -0.397 1.00 0.00 C ATOM 259 OE1 GLU A 20 16.867 4.561 -0.006 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.510 3.892 -1.305 1.00 0.00 O ATOM 0 H GLU A 20 19.547 2.476 3.746 1.00 0.00 H new ATOM 0 HA GLU A 20 17.931 4.220 2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.479 2.555 1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.467 1.248 1.914 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.025 1.582 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.606 2.058 0.477 1.00 0.00 H new ATOM 267 N PHE A 21 16.260 1.728 3.694 1.00 0.00 N ATOM 268 CA PHE A 21 14.916 1.286 4.058 1.00 0.00 C ATOM 269 C PHE A 21 14.174 2.370 4.836 1.00 0.00 C ATOM 270 O PHE A 21 12.985 2.602 4.612 1.00 0.00 O ATOM 271 CB PHE A 21 14.980 0.001 4.889 1.00 0.00 C ATOM 272 CG PHE A 21 13.627 -0.534 5.272 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.877 -1.273 4.369 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.104 -0.294 6.532 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.632 -1.763 4.718 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.859 -0.780 6.886 1.00 0.00 C ATOM 277 CZ PHE A 21 11.122 -1.515 5.977 1.00 0.00 C ATOM 0 H PHE A 21 17.011 1.133 4.044 1.00 0.00 H new ATOM 0 HA PHE A 21 14.370 1.087 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.517 -0.761 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.556 0.192 5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.270 -1.468 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.676 0.280 7.246 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.059 -2.339 4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.463 -0.585 7.872 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.149 -1.895 6.251 1.00 0.00 H new ATOM 287 N ASP A 22 14.881 3.032 5.748 1.00 0.00 N ATOM 288 CA ASP A 22 14.285 4.088 6.563 1.00 0.00 C ATOM 289 C ASP A 22 13.791 5.243 5.697 1.00 0.00 C ATOM 290 O ASP A 22 12.731 5.815 5.954 1.00 0.00 O ATOM 291 CB ASP A 22 15.295 4.606 7.588 1.00 0.00 C ATOM 292 CG ASP A 22 14.706 5.672 8.492 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.784 6.865 8.132 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.164 5.313 9.558 1.00 0.00 O ATOM 0 H ASP A 22 15.867 2.856 5.942 1.00 0.00 H new ATOM 0 HA ASP A 22 13.430 3.660 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.651 3.774 8.196 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.161 5.013 7.067 1.00 0.00 H new ATOM 299 N ALA A 23 14.565 5.584 4.672 1.00 0.00 N ATOM 300 CA ALA A 23 14.204 6.673 3.772 1.00 0.00 C ATOM 301 C ALA A 23 12.896 6.378 3.045 1.00 0.00 C ATOM 302 O ALA A 23 12.040 7.251 2.911 1.00 0.00 O ATOM 303 CB ALA A 23 15.324 6.926 2.773 1.00 0.00 C ATOM 0 H ALA A 23 15.446 5.122 4.444 1.00 0.00 H new ATOM 0 HA ALA A 23 14.058 7.572 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.041 7.741 2.108 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.235 7.194 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.500 6.024 2.187 1.00 0.00 H new ATOM 309 N VAL A 24 12.748 5.141 2.577 1.00 0.00 N ATOM 310 CA VAL A 24 11.543 4.733 1.863 1.00 0.00 C ATOM 311 C VAL A 24 10.305 4.885 2.741 1.00 0.00 C ATOM 312 O VAL A 24 9.267 5.368 2.288 1.00 0.00 O ATOM 313 CB VAL A 24 11.637 3.272 1.384 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.396 2.885 0.595 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.892 3.060 0.552 1.00 0.00 C ATOM 0 H VAL A 24 13.447 4.405 2.680 1.00 0.00 H new ATOM 0 HA VAL A 24 11.456 5.388 0.996 1.00 0.00 H new ATOM 0 HB VAL A 24 11.697 2.628 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.482 1.849 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.515 2.992 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.300 3.535 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.940 2.022 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.866 3.715 -0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.771 3.291 1.154 1.00 0.00 H new ATOM 325 N VAL A 25 10.422 4.467 3.998 1.00 0.00 N ATOM 326 CA VAL A 25 9.313 4.553 4.940 1.00 0.00 C ATOM 327 C VAL A 25 8.879 6.000 5.149 1.00 0.00 C ATOM 328 O VAL A 25 7.691 6.289 5.287 1.00 0.00 O ATOM 329 CB VAL A 25 9.683 3.934 6.302 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.510 4.016 7.269 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.138 2.493 6.126 1.00 0.00 C ATOM 0 H VAL A 25 11.275 4.065 4.387 1.00 0.00 H new ATOM 0 HA VAL A 25 8.486 3.990 4.508 1.00 0.00 H new ATOM 0 HB VAL A 25 10.509 4.505 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.794 3.573 8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.236 5.060 7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.659 3.474 6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.395 2.071 7.098 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.333 1.909 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.012 2.464 5.475 1.00 0.00 H new ATOM 341 N GLY A 26 9.851 6.908 5.169 1.00 0.00 N ATOM 342 CA GLY A 26 9.549 8.313 5.362 1.00 0.00 C ATOM 343 C GLY A 26 8.690 8.883 4.250 1.00 0.00 C ATOM 344 O GLY A 26 7.638 9.471 4.507 1.00 0.00 O ATOM 0 H GLY A 26 10.842 6.694 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.036 8.443 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.480 8.876 5.422 1.00 0.00 H new ATOM 348 N TYR A 27 9.140 8.706 3.010 1.00 0.00 N ATOM 349 CA TYR A 27 8.407 9.209 1.854 1.00 0.00 C ATOM 350 C TYR A 27 6.987 8.652 1.824 1.00 0.00 C ATOM 351 O TYR A 27 6.043 9.363 1.484 1.00 0.00 O ATOM 352 CB TYR A 27 9.138 8.851 0.558 1.00 0.00 C ATOM 353 CG TYR A 27 10.566 9.350 0.502 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.880 10.662 0.842 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.602 8.510 0.112 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.184 11.119 0.794 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.908 8.960 0.062 1.00 0.00 C ATOM 358 CZ TYR A 27 13.192 10.264 0.405 1.00 0.00 C ATOM 359 OH TYR A 27 14.491 10.716 0.356 1.00 0.00 O ATOM 0 H TYR A 27 10.007 8.219 2.782 1.00 0.00 H new ATOM 0 HA TYR A 27 8.350 10.294 1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.137 7.767 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.585 9.265 -0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.092 11.334 1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.383 7.487 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.411 12.141 1.060 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.701 8.294 -0.244 1.00 0.00 H new ATOM 0 HH TYR A 27 15.080 9.989 0.064 1.00 0.00 H new ATOM 369 N LEU A 28 6.845 7.379 2.186 1.00 0.00 N ATOM 370 CA LEU A 28 5.536 6.732 2.200 1.00 0.00 C ATOM 371 C LEU A 28 4.566 7.486 3.105 1.00 0.00 C ATOM 372 O LEU A 28 3.431 7.760 2.717 1.00 0.00 O ATOM 373 CB LEU A 28 5.662 5.279 2.661 1.00 0.00 C ATOM 374 CG LEU A 28 6.318 4.332 1.653 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.576 2.975 2.287 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.444 4.182 0.415 1.00 0.00 C ATOM 0 H LEU A 28 7.617 6.777 2.472 1.00 0.00 H new ATOM 0 HA LEU A 28 5.142 6.747 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.239 5.256 3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.667 4.901 2.896 1.00 0.00 H new ATOM 0 HG LEU A 28 7.274 4.760 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.043 2.315 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.239 3.094 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.632 2.542 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.926 3.505 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.474 3.777 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.306 5.157 -0.053 1.00 0.00 H new ATOM 388 N GLU A 29 5.022 7.815 4.310 1.00 0.00 N ATOM 389 CA GLU A 29 4.197 8.542 5.269 1.00 0.00 C ATOM 390 C GLU A 29 3.699 9.856 4.674 1.00 0.00 C ATOM 391 O GLU A 29 2.528 10.209 4.820 1.00 0.00 O ATOM 392 CB GLU A 29 4.988 8.813 6.549 1.00 0.00 C ATOM 393 CG GLU A 29 5.403 7.550 7.285 1.00 0.00 C ATOM 394 CD GLU A 29 6.257 7.835 8.502 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.687 8.145 9.570 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.498 7.747 8.391 1.00 0.00 O ATOM 0 H GLU A 29 5.959 7.590 4.646 1.00 0.00 H new ATOM 0 HA GLU A 29 3.332 7.924 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.880 9.389 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.385 9.431 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.511 7.004 7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.954 6.902 6.603 1.00 0.00 H new ATOM 403 N ASP A 30 4.595 10.576 4.005 1.00 0.00 N ATOM 404 CA ASP A 30 4.242 11.850 3.386 1.00 0.00 C ATOM 405 C ASP A 30 3.164 11.659 2.322 1.00 0.00 C ATOM 406 O ASP A 30 2.321 12.534 2.115 1.00 0.00 O ATOM 407 CB ASP A 30 5.479 12.502 2.766 1.00 0.00 C ATOM 408 CG ASP A 30 6.529 12.858 3.802 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.399 13.927 4.435 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.478 12.067 3.982 1.00 0.00 O ATOM 0 H ASP A 30 5.569 10.300 3.878 1.00 0.00 H new ATOM 0 HA ASP A 30 3.847 12.505 4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.913 11.824 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.181 13.404 2.231 1.00 0.00 H new ATOM 415 N ILE A 31 3.195 10.512 1.650 1.00 0.00 N ATOM 416 CA ILE A 31 2.222 10.207 0.606 1.00 0.00 C ATOM 417 C ILE A 31 0.853 9.886 1.201 1.00 0.00 C ATOM 418 O ILE A 31 -0.180 10.241 0.631 1.00 0.00 O ATOM 419 CB ILE A 31 2.686 9.023 -0.268 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.025 9.350 -0.933 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.635 8.690 -1.319 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.652 8.175 -1.652 1.00 0.00 C ATOM 0 H ILE A 31 3.884 9.777 1.810 1.00 0.00 H new ATOM 0 HA ILE A 31 2.140 11.097 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 31 2.819 8.150 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.878 10.163 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.718 9.712 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.980 7.853 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.701 8.421 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.472 9.558 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.598 8.484 -2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.832 7.368 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.979 7.826 -2.435 1.00 0.00 H new ATOM 434 N ILE A 32 0.849 9.216 2.349 1.00 0.00 N ATOM 435 CA ILE A 32 -0.395 8.853 3.016 1.00 0.00 C ATOM 436 C ILE A 32 -1.155 10.094 3.470 1.00 0.00 C ATOM 437 O ILE A 32 -2.381 10.150 3.380 1.00 0.00 O ATOM 438 CB ILE A 32 -0.136 7.942 4.235 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.572 6.659 3.797 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.444 7.619 4.947 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.024 5.793 4.953 1.00 0.00 C ATOM 0 H ILE A 32 1.693 8.914 2.836 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.998 8.308 2.290 1.00 0.00 H new ATOM 0 HB ILE A 32 0.511 8.471 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.100 6.082 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.438 6.921 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.243 6.976 5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.910 8.543 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.116 7.107 4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.518 4.901 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.721 6.353 5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.159 5.501 5.548 1.00 0.00 H new ATOM 453 N MET A 33 -0.419 11.087 3.957 1.00 0.00 N ATOM 454 CA MET A 33 -1.026 12.326 4.429 1.00 0.00 C ATOM 455 C MET A 33 -1.090 13.368 3.315 1.00 0.00 C ATOM 456 O MET A 33 -1.427 14.527 3.557 1.00 0.00 O ATOM 457 CB MET A 33 -0.241 12.880 5.618 1.00 0.00 C ATOM 458 CG MET A 33 -0.223 11.952 6.823 1.00 0.00 C ATOM 459 SD MET A 33 -1.868 11.663 7.502 1.00 0.00 S ATOM 460 CE MET A 33 -2.307 13.313 8.045 1.00 0.00 C ATOM 0 H MET A 33 0.598 11.058 4.035 1.00 0.00 H new ATOM 0 HA MET A 33 -2.045 12.102 4.745 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.785 13.076 5.306 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.672 13.836 5.913 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.220 10.998 6.536 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.415 12.380 7.596 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.793 13.258 9.019 1.00 0.00 H new ATOM 0 HE2 MET A 33 -1.407 13.922 8.122 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.989 13.764 7.324 1.00 0.00 H new ATOM 470 N ASP A 34 -0.765 12.949 2.094 1.00 0.00 N ATOM 471 CA ASP A 34 -0.791 13.852 0.949 1.00 0.00 C ATOM 472 C ASP A 34 -2.225 14.247 0.609 1.00 0.00 C ATOM 473 O ASP A 34 -3.120 13.403 0.587 1.00 0.00 O ATOM 474 CB ASP A 34 -0.130 13.198 -0.266 1.00 0.00 C ATOM 475 CG ASP A 34 -0.032 14.144 -1.446 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.936 14.931 -1.498 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.924 14.097 -2.319 1.00 0.00 O ATOM 0 H ASP A 34 -0.482 11.994 1.874 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.232 14.750 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.868 12.856 0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.701 12.316 -0.557 1.00 0.00 H new ATOM 482 N ASP A 35 -2.432 15.532 0.342 1.00 0.00 N ATOM 483 CA ASP A 35 -3.756 16.044 0.010 1.00 0.00 C ATOM 484 C ASP A 35 -4.342 15.327 -1.205 1.00 0.00 C ATOM 485 O ASP A 35 -5.488 14.881 -1.176 1.00 0.00 O ATOM 486 CB ASP A 35 -3.691 17.548 -0.259 1.00 0.00 C ATOM 487 CG ASP A 35 -5.021 18.112 -0.719 1.00 0.00 C ATOM 488 OD1 ASP A 35 -5.844 18.475 0.147 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.239 18.192 -1.946 1.00 0.00 O ATOM 0 H ASP A 35 -1.697 16.240 0.349 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.407 15.857 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.376 18.063 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.934 17.746 -1.018 1.00 0.00 H new ATOM 494 N GLU A 36 -3.551 15.223 -2.268 1.00 0.00 N ATOM 495 CA GLU A 36 -4.001 14.565 -3.491 1.00 0.00 C ATOM 496 C GLU A 36 -4.347 13.100 -3.233 1.00 0.00 C ATOM 497 O GLU A 36 -5.170 12.514 -3.937 1.00 0.00 O ATOM 498 CB GLU A 36 -2.927 14.670 -4.577 1.00 0.00 C ATOM 499 CG GLU A 36 -3.362 14.106 -5.921 1.00 0.00 C ATOM 500 CD GLU A 36 -2.274 14.202 -6.974 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.471 13.253 -7.086 1.00 0.00 O ATOM 502 OE2 GLU A 36 -2.226 15.227 -7.687 1.00 0.00 O ATOM 0 H GLU A 36 -2.598 15.584 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.903 15.072 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.652 15.717 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.033 14.143 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.651 13.062 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.246 14.642 -6.267 1.00 0.00 H new ATOM 509 N PHE A 37 -3.715 12.513 -2.220 1.00 0.00 N ATOM 510 CA PHE A 37 -3.955 11.114 -1.876 1.00 0.00 C ATOM 511 C PHE A 37 -5.261 10.954 -1.103 1.00 0.00 C ATOM 512 O PHE A 37 -6.000 9.993 -1.311 1.00 0.00 O ATOM 513 CB PHE A 37 -2.789 10.558 -1.054 1.00 0.00 C ATOM 514 CG PHE A 37 -2.993 9.138 -0.605 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.759 8.082 -1.471 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.420 8.861 0.684 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.947 6.777 -1.061 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.609 7.556 1.100 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.372 6.513 0.227 1.00 0.00 C ATOM 0 H PHE A 37 -3.034 12.983 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.036 10.550 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.877 10.615 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.639 11.189 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.426 8.282 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.607 9.673 1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.762 5.963 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.942 7.353 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.518 5.493 0.550 1.00 0.00 H new ATOM 529 N GLN A 38 -5.536 11.895 -0.206 1.00 0.00 N ATOM 530 CA GLN A 38 -6.753 11.854 0.598 1.00 0.00 C ATOM 531 C GLN A 38 -7.997 11.933 -0.282 1.00 0.00 C ATOM 532 O GLN A 38 -8.958 11.191 -0.083 1.00 0.00 O ATOM 533 CB GLN A 38 -6.758 13.005 1.605 1.00 0.00 C ATOM 534 CG GLN A 38 -5.599 12.963 2.586 1.00 0.00 C ATOM 535 CD GLN A 38 -5.697 11.806 3.561 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.304 11.925 4.625 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.092 10.679 3.204 1.00 0.00 N ATOM 0 H GLN A 38 -4.933 12.696 -0.017 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.771 10.905 1.133 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.730 13.950 1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.695 12.985 2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.663 12.888 2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.566 13.900 3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.600 10.625 2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.119 9.868 3.822 1.00 0.00 H new ATOM 546 N LEU A 39 -7.969 12.836 -1.257 1.00 0.00 N ATOM 547 CA LEU A 39 -9.097 13.023 -2.164 1.00 0.00 C ATOM 548 C LEU A 39 -9.276 11.824 -3.094 1.00 0.00 C ATOM 549 O LEU A 39 -10.390 11.339 -3.284 1.00 0.00 O ATOM 550 CB LEU A 39 -8.901 14.296 -2.989 1.00 0.00 C ATOM 551 CG LEU A 39 -10.026 14.613 -3.977 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.314 14.945 -3.239 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.622 15.759 -4.890 1.00 0.00 C ATOM 0 H LEU A 39 -7.176 13.451 -1.440 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.999 13.116 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.791 15.139 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.966 14.210 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.204 13.729 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.100 15.167 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.613 14.094 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.153 15.813 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.433 15.972 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.416 16.646 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.728 15.482 -5.448 1.00 0.00 H new ATOM 565 N LEU A 40 -8.174 11.350 -3.671 1.00 0.00 N ATOM 566 CA LEU A 40 -8.217 10.216 -4.591 1.00 0.00 C ATOM 567 C LEU A 40 -8.672 8.937 -3.887 1.00 0.00 C ATOM 568 O LEU A 40 -9.600 8.268 -4.339 1.00 0.00 O ATOM 569 CB LEU A 40 -6.838 10.005 -5.232 1.00 0.00 C ATOM 570 CG LEU A 40 -6.736 8.830 -6.212 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.754 9.152 -7.327 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.310 7.563 -5.486 1.00 0.00 C ATOM 0 H LEU A 40 -7.241 11.733 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.946 10.444 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.558 10.918 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.107 9.857 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.720 8.664 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.694 8.308 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.094 10.036 -7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.769 9.344 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.243 6.741 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.337 7.720 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.044 7.319 -4.718 1.00 0.00 H new ATOM 584 N GLN A 41 -8.014 8.607 -2.781 1.00 0.00 N ATOM 585 CA GLN A 41 -8.341 7.402 -2.023 1.00 0.00 C ATOM 586 C GLN A 41 -9.793 7.413 -1.548 1.00 0.00 C ATOM 587 O GLN A 41 -10.505 6.418 -1.687 1.00 0.00 O ATOM 588 CB GLN A 41 -7.401 7.264 -0.823 1.00 0.00 C ATOM 589 CG GLN A 41 -7.528 5.935 -0.094 1.00 0.00 C ATOM 590 CD GLN A 41 -6.942 4.775 -0.878 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.939 4.778 -2.109 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.440 3.774 -0.165 1.00 0.00 N ATOM 0 H GLN A 41 -7.250 9.157 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.212 6.547 -2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.372 7.384 -1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.601 8.074 -0.121 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.026 6.006 0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.580 5.736 0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.463 3.812 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.031 2.967 -0.636 1.00 0.00 H new ATOM 601 N ARG A 42 -10.225 8.537 -0.988 1.00 0.00 N ATOM 602 CA ARG A 42 -11.590 8.670 -0.485 1.00 0.00 C ATOM 603 C ARG A 42 -12.608 8.662 -1.623 1.00 0.00 C ATOM 604 O ARG A 42 -13.727 8.174 -1.463 1.00 0.00 O ATOM 605 CB ARG A 42 -11.730 9.958 0.329 1.00 0.00 C ATOM 606 CG ARG A 42 -13.092 10.124 0.982 1.00 0.00 C ATOM 607 CD ARG A 42 -13.147 11.374 1.846 1.00 0.00 C ATOM 608 NE ARG A 42 -14.450 11.546 2.478 1.00 0.00 N ATOM 609 CZ ARG A 42 -14.828 12.657 3.104 1.00 0.00 C ATOM 610 NH1 ARG A 42 -14.006 13.695 3.172 1.00 0.00 N ATOM 611 NH2 ARG A 42 -16.029 12.730 3.659 1.00 0.00 N ATOM 0 H ARG A 42 -9.650 9.371 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.793 7.812 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.962 9.974 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.543 10.811 -0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.862 10.178 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.313 9.248 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.376 11.317 2.615 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.923 12.248 1.234 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.110 10.769 2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.082 13.643 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.298 14.546 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.664 11.934 3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.318 13.582 4.139 1.00 0.00 H new ATOM 625 N ASN A 43 -12.216 9.207 -2.770 1.00 0.00 N ATOM 626 CA ASN A 43 -13.101 9.269 -3.930 1.00 0.00 C ATOM 627 C ASN A 43 -13.506 7.874 -4.400 1.00 0.00 C ATOM 628 O ASN A 43 -14.685 7.606 -4.627 1.00 0.00 O ATOM 629 CB ASN A 43 -12.425 10.026 -5.074 1.00 0.00 C ATOM 630 CG ASN A 43 -13.321 10.155 -6.290 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.310 9.301 -7.176 1.00 0.00 O ATOM 632 ND2 ASN A 43 -14.105 11.227 -6.339 1.00 0.00 N ATOM 0 H ASN A 43 -11.292 9.612 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.003 9.801 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.139 11.020 -4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.507 9.510 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.730 11.366 -7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.082 11.911 -5.582 1.00 0.00 H new ATOM 639 N PHE A 44 -12.523 6.991 -4.545 1.00 0.00 N ATOM 640 CA PHE A 44 -12.784 5.627 -4.996 1.00 0.00 C ATOM 641 C PHE A 44 -13.399 4.778 -3.887 1.00 0.00 C ATOM 642 O PHE A 44 -14.375 4.067 -4.115 1.00 0.00 O ATOM 643 CB PHE A 44 -11.493 4.979 -5.501 1.00 0.00 C ATOM 644 CG PHE A 44 -11.076 5.459 -6.861 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.539 6.726 -7.030 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.220 4.643 -7.972 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.156 7.170 -8.281 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.838 5.083 -9.225 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.305 6.348 -9.381 1.00 0.00 C ATOM 0 H PHE A 44 -11.541 7.194 -4.358 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.502 5.680 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.692 5.182 -4.791 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.626 3.898 -5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.419 7.373 -6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.635 3.653 -7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.740 8.160 -8.399 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.956 4.438 -10.083 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.006 6.693 -10.360 1.00 0.00 H new ATOM 659 N MET A 45 -12.826 4.854 -2.689 1.00 0.00 N ATOM 660 CA MET A 45 -13.331 4.086 -1.554 1.00 0.00 C ATOM 661 C MET A 45 -14.800 4.401 -1.283 1.00 0.00 C ATOM 662 O MET A 45 -15.531 3.573 -0.741 1.00 0.00 O ATOM 663 CB MET A 45 -12.496 4.366 -0.304 1.00 0.00 C ATOM 664 CG MET A 45 -11.146 3.666 -0.305 1.00 0.00 C ATOM 665 SD MET A 45 -10.303 3.776 1.285 1.00 0.00 S ATOM 666 CE MET A 45 -11.444 2.880 2.338 1.00 0.00 C ATOM 0 H MET A 45 -12.015 5.437 -2.479 1.00 0.00 H new ATOM 0 HA MET A 45 -13.250 3.029 -1.806 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.339 5.441 -0.216 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.058 4.053 0.576 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.286 2.617 -0.566 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.514 4.105 -1.077 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.886 2.208 2.990 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.011 3.586 2.945 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.130 2.300 1.721 1.00 0.00 H new ATOM 676 N ASP A 46 -15.223 5.603 -1.662 1.00 0.00 N ATOM 677 CA ASP A 46 -16.605 6.025 -1.464 1.00 0.00 C ATOM 678 C ASP A 46 -17.566 5.126 -2.238 1.00 0.00 C ATOM 679 O ASP A 46 -18.704 4.913 -1.823 1.00 0.00 O ATOM 680 CB ASP A 46 -16.785 7.481 -1.901 1.00 0.00 C ATOM 681 CG ASP A 46 -18.206 7.971 -1.712 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.016 7.822 -2.651 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.510 8.507 -0.625 1.00 0.00 O ATOM 0 H ASP A 46 -14.629 6.302 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.834 5.942 -0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.106 8.115 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.507 7.579 -2.950 1.00 0.00 H new ATOM 688 N LYS A 47 -17.099 4.607 -3.370 1.00 0.00 N ATOM 689 CA LYS A 47 -17.912 3.731 -4.208 1.00 0.00 C ATOM 690 C LYS A 47 -17.619 2.264 -3.903 1.00 0.00 C ATOM 691 O LYS A 47 -18.521 1.425 -3.904 1.00 0.00 O ATOM 692 CB LYS A 47 -17.637 4.027 -5.687 1.00 0.00 C ATOM 693 CG LYS A 47 -18.820 3.752 -6.609 1.00 0.00 C ATOM 694 CD LYS A 47 -19.052 2.262 -6.826 1.00 0.00 C ATOM 695 CE LYS A 47 -17.888 1.608 -7.557 1.00 0.00 C ATOM 696 NZ LYS A 47 -17.696 2.176 -8.921 1.00 0.00 N ATOM 0 H LYS A 47 -16.160 4.778 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.963 3.921 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.346 5.073 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.788 3.427 -6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -19.719 4.199 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.647 4.234 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.197 1.773 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.968 2.117 -7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.975 1.741 -6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -18.064 0.535 -7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.050 1.567 -9.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.614 2.228 -9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.290 3.130 -8.846 1.00 0.00 H new ATOM 710 N TYR A 48 -16.354 1.963 -3.637 1.00 0.00 N ATOM 711 CA TYR A 48 -15.934 0.600 -3.334 1.00 0.00 C ATOM 712 C TYR A 48 -16.716 0.017 -2.159 1.00 0.00 C ATOM 713 O TYR A 48 -17.230 -1.098 -2.241 1.00 0.00 O ATOM 714 CB TYR A 48 -14.433 0.559 -3.033 1.00 0.00 C ATOM 715 CG TYR A 48 -13.558 0.490 -4.266 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.752 1.358 -5.334 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.533 -0.444 -4.359 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.952 1.297 -6.459 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.728 -0.512 -5.481 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.942 0.361 -6.528 1.00 0.00 C ATOM 721 OH TYR A 48 -11.143 0.296 -7.647 1.00 0.00 O ATOM 0 H TYR A 48 -15.598 2.648 -3.625 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.143 -0.010 -4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.164 1.446 -2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.223 -0.305 -2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.542 2.093 -5.284 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.362 -1.128 -3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.117 1.979 -7.280 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.936 -1.244 -5.538 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.446 0.957 -8.304 1.00 0.00 H new ATOM 731 N TYR A 49 -16.807 0.773 -1.068 1.00 0.00 N ATOM 732 CA TYR A 49 -17.521 0.310 0.118 1.00 0.00 C ATOM 733 C TYR A 49 -19.011 0.122 -0.170 1.00 0.00 C ATOM 734 O TYR A 49 -19.722 -0.525 0.599 1.00 0.00 O ATOM 735 CB TYR A 49 -17.309 1.285 1.288 1.00 0.00 C ATOM 736 CG TYR A 49 -18.467 2.226 1.544 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.613 3.398 0.816 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.413 1.940 2.522 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.667 4.259 1.053 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.469 2.797 2.765 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.592 3.955 2.028 1.00 0.00 C ATOM 742 OH TYR A 49 -21.643 4.810 2.267 1.00 0.00 O ATOM 0 H TYR A 49 -16.398 1.703 -0.981 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.114 -0.661 0.399 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.119 0.709 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.414 1.876 1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.890 3.641 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.321 1.033 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.766 5.167 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.195 2.561 3.529 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.203 4.447 2.985 1.00 0.00 H new ATOM 752 N LEU A 50 -19.478 0.689 -1.280 1.00 0.00 N ATOM 753 CA LEU A 50 -20.883 0.572 -1.666 1.00 0.00 C ATOM 754 C LEU A 50 -21.150 -0.760 -2.356 1.00 0.00 C ATOM 755 O LEU A 50 -22.142 -1.431 -2.070 1.00 0.00 O ATOM 756 CB LEU A 50 -21.286 1.724 -2.591 1.00 0.00 C ATOM 757 CG LEU A 50 -21.293 3.112 -1.946 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.524 4.187 -2.995 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.359 3.189 -0.862 1.00 0.00 C ATOM 0 H LEU A 50 -18.906 1.233 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.482 0.620 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.604 1.740 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.282 1.520 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.319 3.283 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.526 5.167 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.728 4.147 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.484 4.019 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.351 4.182 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.338 2.997 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.152 2.443 -0.095 1.00 0.00 H new ATOM 771 N GLU A 51 -20.257 -1.137 -3.267 1.00 0.00 N ATOM 772 CA GLU A 51 -20.395 -2.388 -4.002 1.00 0.00 C ATOM 773 C GLU A 51 -20.095 -3.584 -3.104 1.00 0.00 C ATOM 774 O GLU A 51 -20.743 -4.627 -3.207 1.00 0.00 O ATOM 775 CB GLU A 51 -19.460 -2.395 -5.212 1.00 0.00 C ATOM 776 CG GLU A 51 -19.719 -1.258 -6.186 1.00 0.00 C ATOM 777 CD GLU A 51 -21.139 -1.258 -6.716 1.00 0.00 C ATOM 778 OE1 GLU A 51 -21.424 -2.034 -7.652 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.967 -0.482 -6.193 1.00 0.00 O ATOM 0 H GLU A 51 -19.430 -0.593 -3.513 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.426 -2.468 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.429 -2.337 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.566 -3.344 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.520 -0.308 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.023 -1.334 -7.021 1.00 0.00 H new ATOM 786 N PHE A 52 -19.111 -3.427 -2.226 1.00 0.00 N ATOM 787 CA PHE A 52 -18.726 -4.495 -1.308 1.00 0.00 C ATOM 788 C PHE A 52 -19.767 -4.673 -0.209 1.00 0.00 C ATOM 789 O PHE A 52 -19.671 -4.063 0.856 1.00 0.00 O ATOM 790 CB PHE A 52 -17.356 -4.204 -0.693 1.00 0.00 C ATOM 791 CG PHE A 52 -16.204 -4.592 -1.575 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.929 -3.883 -2.733 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.394 -5.668 -1.245 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.868 -4.239 -3.545 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.333 -6.029 -2.053 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.070 -5.313 -3.205 1.00 0.00 C ATOM 0 H PHE A 52 -18.565 -2.571 -2.130 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.667 -5.422 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.287 -3.140 -0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.272 -4.736 0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.551 -3.043 -3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.595 -6.231 -0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.664 -3.677 -4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.710 -6.870 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.241 -5.593 -3.839 1.00 0.00 H new ATOM 806 N GLU A 53 -20.764 -5.508 -0.480 1.00 0.00 N ATOM 807 CA GLU A 53 -21.824 -5.773 0.485 1.00 0.00 C ATOM 808 C GLU A 53 -21.569 -7.082 1.223 1.00 0.00 C ATOM 809 O GLU A 53 -21.050 -8.039 0.646 1.00 0.00 O ATOM 810 CB GLU A 53 -23.182 -5.828 -0.216 1.00 0.00 C ATOM 811 CG GLU A 53 -23.538 -4.548 -0.953 1.00 0.00 C ATOM 812 CD GLU A 53 -24.928 -4.592 -1.557 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.070 -5.105 -2.687 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.877 -4.113 -0.899 1.00 0.00 O ATOM 0 H GLU A 53 -20.860 -6.013 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.831 -4.960 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.183 -6.657 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.955 -6.039 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.471 -3.706 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.808 -4.372 -1.743 1.00 0.00 H new ATOM 821 N ASP A 54 -21.935 -7.118 2.499 1.00 0.00 N ATOM 822 CA ASP A 54 -21.745 -8.313 3.312 1.00 0.00 C ATOM 823 C ASP A 54 -22.926 -9.267 3.158 1.00 0.00 C ATOM 824 O ASP A 54 -23.953 -9.112 3.817 1.00 0.00 O ATOM 825 CB ASP A 54 -21.567 -7.933 4.782 1.00 0.00 C ATOM 826 CG ASP A 54 -21.339 -9.142 5.667 1.00 0.00 C ATOM 827 OD1 ASP A 54 -20.188 -9.626 5.727 1.00 0.00 O ATOM 828 OD2 ASP A 54 -22.310 -9.605 6.301 1.00 0.00 O ATOM 0 H ASP A 54 -22.364 -6.335 2.992 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.844 -8.820 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -20.722 -7.251 4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.451 -7.396 5.125 1.00 0.00 H new ATOM 833 N THR A 55 -22.771 -10.249 2.274 1.00 0.00 N ATOM 834 CA THR A 55 -23.821 -11.231 2.029 1.00 0.00 C ATOM 835 C THR A 55 -23.239 -12.634 1.902 1.00 0.00 C ATOM 836 O THR A 55 -22.025 -12.823 1.988 1.00 0.00 O ATOM 837 CB THR A 55 -24.619 -10.898 0.754 1.00 0.00 C ATOM 838 OG1 THR A 55 -23.733 -10.801 -0.368 1.00 0.00 O ATOM 839 CG2 THR A 55 -25.383 -9.592 0.915 1.00 0.00 C ATOM 0 H THR A 55 -21.928 -10.385 1.716 1.00 0.00 H new ATOM 0 HA THR A 55 -24.494 -11.195 2.886 1.00 0.00 H new ATOM 0 HB THR A 55 -25.336 -11.701 0.584 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.762 -11.635 -0.881 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.938 -9.380 0.001 1.00 0.00 H new ATOM 0 HG22 THR A 55 -26.078 -9.678 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.681 -8.781 1.109 1.00 0.00 H new ATOM 847 N GLU A 56 -24.110 -13.617 1.695 1.00 0.00 N ATOM 848 CA GLU A 56 -23.686 -15.001 1.559 1.00 0.00 C ATOM 849 C GLU A 56 -23.240 -15.295 0.128 1.00 0.00 C ATOM 850 O GLU A 56 -22.240 -15.980 -0.091 1.00 0.00 O ATOM 851 CB GLU A 56 -24.825 -15.938 1.964 1.00 0.00 C ATOM 852 CG GLU A 56 -24.554 -17.398 1.651 1.00 0.00 C ATOM 853 CD GLU A 56 -25.672 -18.312 2.114 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.659 -18.471 1.365 1.00 0.00 O ATOM 855 OE2 GLU A 56 -25.560 -18.871 3.225 1.00 0.00 O ATOM 0 H GLU A 56 -25.117 -13.477 1.618 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.836 -15.169 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -25.008 -15.833 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -25.737 -15.629 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.416 -17.515 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.622 -17.701 2.128 1.00 0.00 H new ATOM 862 N GLU A 57 -23.988 -14.772 -0.840 1.00 0.00 N ATOM 863 CA GLU A 57 -23.670 -14.979 -2.249 1.00 0.00 C ATOM 864 C GLU A 57 -22.692 -13.920 -2.751 1.00 0.00 C ATOM 865 O GLU A 57 -22.965 -12.721 -2.675 1.00 0.00 O ATOM 866 CB GLU A 57 -24.945 -14.952 -3.092 1.00 0.00 C ATOM 867 CG GLU A 57 -25.946 -16.032 -2.714 1.00 0.00 C ATOM 868 CD GLU A 57 -27.188 -16.008 -3.585 1.00 0.00 C ATOM 869 OE1 GLU A 57 -28.152 -15.302 -3.226 1.00 0.00 O ATOM 870 OE2 GLU A 57 -27.195 -16.698 -4.626 1.00 0.00 O ATOM 0 H GLU A 57 -24.818 -14.202 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 57 -23.199 -15.957 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -25.419 -13.976 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.679 -15.067 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -25.469 -17.009 -2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -26.236 -15.904 -1.671 1.00 0.00 H new ATOM 877 N ASN A 58 -21.551 -14.372 -3.264 1.00 0.00 N ATOM 878 CA ASN A 58 -20.528 -13.471 -3.780 1.00 0.00 C ATOM 879 C ASN A 58 -20.768 -13.150 -5.252 1.00 0.00 C ATOM 880 O ASN A 58 -21.314 -13.968 -5.994 1.00 0.00 O ATOM 881 CB ASN A 58 -19.140 -14.089 -3.597 1.00 0.00 C ATOM 882 CG ASN A 58 -19.069 -15.517 -4.106 1.00 0.00 C ATOM 883 OD1 ASN A 58 -19.769 -15.891 -5.047 1.00 0.00 O ATOM 884 ND2 ASN A 58 -18.221 -16.325 -3.481 1.00 0.00 N ATOM 0 H ASN A 58 -21.312 -15.361 -3.333 1.00 0.00 H new ATOM 0 HA ASN A 58 -20.583 -12.540 -3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.403 -13.482 -4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.873 -14.069 -2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.131 -17.297 -3.777 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.660 -15.974 -2.705 1.00 0.00 H new ATOM 891 N LYS A 59 -20.359 -11.955 -5.668 1.00 0.00 N ATOM 892 CA LYS A 59 -20.528 -11.527 -7.052 1.00 0.00 C ATOM 893 C LYS A 59 -19.192 -11.523 -7.790 1.00 0.00 C ATOM 894 O LYS A 59 -18.132 -11.433 -7.173 1.00 0.00 O ATOM 895 CB LYS A 59 -21.151 -10.130 -7.106 1.00 0.00 C ATOM 896 CG LYS A 59 -22.473 -10.012 -6.362 1.00 0.00 C ATOM 897 CD LYS A 59 -22.263 -9.833 -4.867 1.00 0.00 C ATOM 898 CE LYS A 59 -23.551 -9.432 -4.167 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.628 -10.441 -4.362 1.00 0.00 N ATOM 0 H LYS A 59 -19.908 -11.266 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 59 -21.194 -12.236 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.445 -9.412 -6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.307 -9.853 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.037 -9.166 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -23.072 -10.905 -6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.888 -10.762 -4.437 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.502 -9.072 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.361 -9.306 -3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.885 -8.467 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.449 -10.191 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.911 -10.458 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.278 -11.380 -4.086 1.00 0.00 H new ATOM 913 N LEU A 60 -19.251 -11.622 -9.114 1.00 0.00 N ATOM 914 CA LEU A 60 -18.046 -11.627 -9.937 1.00 0.00 C ATOM 915 C LEU A 60 -17.526 -10.209 -10.149 1.00 0.00 C ATOM 916 O LEU A 60 -16.429 -10.012 -10.670 1.00 0.00 O ATOM 917 CB LEU A 60 -18.329 -12.282 -11.290 1.00 0.00 C ATOM 918 CG LEU A 60 -18.765 -13.747 -11.226 1.00 0.00 C ATOM 919 CD1 LEU A 60 -19.173 -14.241 -12.604 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.647 -14.613 -10.658 1.00 0.00 C ATOM 0 H LEU A 60 -20.121 -11.700 -9.641 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.283 -12.202 -9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.106 -11.710 -11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.431 -12.213 -11.904 1.00 0.00 H new ATOM 0 HG LEU A 60 -19.628 -13.821 -10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -19.480 -15.285 -12.540 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.004 -13.640 -12.975 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.328 -14.153 -13.287 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.975 -15.652 -10.620 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.766 -14.534 -11.295 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.399 -14.274 -9.652 1.00 0.00 H new ATOM 932 N ILE A 61 -18.322 -9.228 -9.739 1.00 0.00 N ATOM 933 CA ILE A 61 -17.953 -7.825 -9.887 1.00 0.00 C ATOM 934 C ILE A 61 -16.731 -7.478 -9.034 1.00 0.00 C ATOM 935 O ILE A 61 -16.086 -6.448 -9.241 1.00 0.00 O ATOM 936 CB ILE A 61 -19.130 -6.902 -9.503 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.819 -5.447 -9.867 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.443 -7.027 -8.019 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.701 -5.206 -11.357 1.00 0.00 C ATOM 0 H ILE A 61 -19.230 -9.379 -9.300 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.703 -7.666 -10.936 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.008 -7.214 -10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.603 -4.805 -9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.887 -5.152 -9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.275 -6.370 -7.766 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.712 -8.058 -7.790 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.566 -6.743 -7.437 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.480 -4.154 -11.539 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.898 -5.821 -11.763 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.640 -5.469 -11.844 1.00 0.00 H new ATOM 951 N TYR A 62 -16.408 -8.352 -8.087 1.00 0.00 N ATOM 952 CA TYR A 62 -15.268 -8.134 -7.203 1.00 0.00 C ATOM 953 C TYR A 62 -13.943 -8.299 -7.945 1.00 0.00 C ATOM 954 O TYR A 62 -12.911 -7.795 -7.504 1.00 0.00 O ATOM 955 CB TYR A 62 -15.325 -9.095 -6.013 1.00 0.00 C ATOM 956 CG TYR A 62 -16.476 -8.827 -5.068 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.669 -7.565 -4.517 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.370 -9.834 -4.727 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.719 -7.316 -3.655 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.423 -9.592 -3.866 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.593 -8.332 -3.332 1.00 0.00 C ATOM 962 OH TYR A 62 -19.640 -8.087 -2.474 1.00 0.00 O ATOM 0 H TYR A 62 -16.919 -9.217 -7.912 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.325 -7.108 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.403 -10.116 -6.386 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.389 -9.029 -5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.987 -6.766 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.240 -10.823 -5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.855 -6.330 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -19.110 -10.386 -3.612 1.00 0.00 H new ATOM 0 HH TYR A 62 -20.162 -8.908 -2.352 1.00 0.00 H new ATOM 972 N THR A 63 -13.974 -9.004 -9.075 1.00 0.00 N ATOM 973 CA THR A 63 -12.766 -9.226 -9.862 1.00 0.00 C ATOM 974 C THR A 63 -12.338 -7.961 -10.617 1.00 0.00 C ATOM 975 O THR A 63 -11.189 -7.533 -10.500 1.00 0.00 O ATOM 976 CB THR A 63 -12.943 -10.392 -10.861 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.261 -11.596 -10.154 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.680 -10.602 -11.683 1.00 0.00 C ATOM 0 H THR A 63 -14.817 -9.428 -9.462 1.00 0.00 H new ATOM 0 HA THR A 63 -11.981 -9.489 -9.153 1.00 0.00 H new ATOM 0 HB THR A 63 -13.759 -10.139 -11.538 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.374 -12.331 -10.793 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.831 -11.428 -12.378 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.455 -9.694 -12.242 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.848 -10.835 -11.018 1.00 0.00 H new ATOM 986 N PRO A 64 -13.247 -7.333 -11.399 1.00 0.00 N ATOM 987 CA PRO A 64 -12.918 -6.113 -12.145 1.00 0.00 C ATOM 988 C PRO A 64 -12.585 -4.948 -11.219 1.00 0.00 C ATOM 989 O PRO A 64 -11.644 -4.194 -11.470 1.00 0.00 O ATOM 990 CB PRO A 64 -14.191 -5.817 -12.945 1.00 0.00 C ATOM 991 CG PRO A 64 -15.277 -6.530 -12.220 1.00 0.00 C ATOM 992 CD PRO A 64 -14.642 -7.754 -11.627 1.00 0.00 C ATOM 0 HA PRO A 64 -12.036 -6.246 -12.771 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.386 -4.746 -12.994 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.103 -6.172 -13.972 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.708 -5.898 -11.443 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.087 -6.800 -12.897 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.130 -8.051 -10.699 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.700 -8.606 -12.304 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.362 -4.805 -10.147 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.138 -3.733 -9.184 1.00 0.00 C ATOM 1002 C ILE A 65 -11.759 -3.860 -8.541 1.00 0.00 C ATOM 1003 O ILE A 65 -11.039 -2.872 -8.389 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.219 -3.730 -8.082 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.596 -3.450 -8.693 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.886 -2.701 -7.008 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.733 -3.534 -7.697 1.00 0.00 C ATOM 0 H ILE A 65 -14.148 -5.416 -9.925 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.195 -2.792 -9.731 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.242 -4.714 -7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.590 -2.456 -9.141 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.777 -4.161 -9.499 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.659 -2.714 -6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.923 -2.943 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.837 -1.709 -7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.676 -3.324 -8.202 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.767 -4.535 -7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.576 -2.803 -6.903 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.397 -5.085 -8.168 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.104 -5.343 -7.546 1.00 0.00 C ATOM 1021 C PHE A 66 -8.969 -4.942 -8.482 1.00 0.00 C ATOM 1022 O PHE A 66 -7.940 -4.431 -8.043 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.977 -6.821 -7.171 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.680 -7.162 -6.494 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.452 -6.792 -5.179 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.690 -7.853 -7.173 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.261 -7.107 -4.553 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.497 -8.169 -6.554 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.282 -7.796 -5.241 1.00 0.00 C ATOM 0 H PHE A 66 -11.981 -5.913 -8.286 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.036 -4.743 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.803 -7.092 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.076 -7.425 -8.073 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.214 -6.251 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.853 -8.148 -8.199 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.096 -6.815 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.733 -8.707 -7.095 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.350 -8.043 -4.754 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.169 -5.178 -9.775 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.165 -4.839 -10.775 1.00 0.00 C ATOM 1041 C ASN A 67 -7.952 -3.330 -10.837 1.00 0.00 C ATOM 1042 O ASN A 67 -6.834 -2.861 -11.043 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.584 -5.366 -12.148 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.719 -6.877 -12.170 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -8.030 -7.583 -11.434 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.610 -7.381 -13.017 1.00 0.00 N ATOM 0 H ASN A 67 -10.016 -5.602 -10.153 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.225 -5.309 -10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.534 -4.915 -12.433 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.849 -5.059 -12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.744 -8.390 -13.075 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.160 -6.758 -13.609 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.033 -2.575 -10.654 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.961 -1.117 -10.687 1.00 0.00 C ATOM 1055 C GLU A 68 -8.140 -0.585 -9.516 1.00 0.00 C ATOM 1056 O GLU A 68 -7.413 0.398 -9.652 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.367 -0.513 -10.650 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.374 1.006 -10.719 1.00 0.00 C ATOM 1059 CD GLU A 68 -11.775 1.585 -10.699 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.416 1.623 -11.770 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.230 2.001 -9.613 1.00 0.00 O ATOM 0 H GLU A 68 -9.967 -2.948 -10.482 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.471 -0.826 -11.616 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.947 -0.910 -11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.867 -0.830 -9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.807 1.407 -9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.865 1.327 -11.628 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.268 -1.237 -8.365 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.538 -0.831 -7.168 1.00 0.00 C ATOM 1070 C TYR A 69 -6.043 -1.097 -7.330 1.00 0.00 C ATOM 1071 O TYR A 69 -5.206 -0.254 -6.996 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.075 -1.585 -5.949 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.577 -1.044 -4.629 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -6.389 -1.499 -4.072 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -8.300 -0.080 -3.938 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -5.935 -1.008 -2.863 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -7.853 0.416 -2.727 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.669 -0.050 -2.195 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.221 0.442 -0.991 1.00 0.00 O ATOM 0 H TYR A 69 -8.871 -2.050 -8.235 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.683 0.239 -7.021 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.164 -1.545 -5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.794 -2.635 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.811 -2.248 -4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.226 0.288 -4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.009 -1.373 -2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.428 1.164 -2.201 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.854 1.110 -0.655 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.716 -2.275 -7.844 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.329 -2.665 -8.058 1.00 0.00 C ATOM 1091 C ILE A 70 -3.703 -1.862 -9.194 1.00 0.00 C ATOM 1092 O ILE A 70 -2.495 -1.640 -9.220 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.216 -4.171 -8.375 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.885 -5.001 -7.273 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.756 -4.575 -8.544 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.241 -4.846 -5.909 1.00 0.00 C ATOM 0 H ILE A 70 -6.397 -2.981 -8.122 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.790 -2.456 -7.134 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.734 -4.367 -9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.934 -4.715 -7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.860 -6.053 -7.558 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.697 -5.640 -8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.314 -4.008 -9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.212 -4.366 -7.623 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.771 -5.464 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.199 -5.160 -5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.290 -3.802 -5.600 1.00 0.00 H new ATOM 1108 N SER A 71 -4.531 -1.435 -10.138 1.00 0.00 N ATOM 1109 CA SER A 71 -4.050 -0.668 -11.281 1.00 0.00 C ATOM 1110 C SER A 71 -3.836 0.803 -10.927 1.00 0.00 C ATOM 1111 O SER A 71 -2.855 1.410 -11.353 1.00 0.00 O ATOM 1112 CB SER A 71 -5.036 -0.780 -12.445 1.00 0.00 C ATOM 1113 OG SER A 71 -4.591 -0.033 -13.565 1.00 0.00 O ATOM 0 H SER A 71 -5.537 -1.606 -10.136 1.00 0.00 H new ATOM 0 HA SER A 71 -3.088 -1.087 -11.575 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.154 -1.827 -12.726 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.016 -0.421 -12.131 1.00 0.00 H new ATOM 0 HG SER A 71 -5.238 -0.122 -14.296 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.756 1.375 -10.157 1.00 0.00 N ATOM 1120 CA LEU A 72 -4.661 2.783 -9.776 1.00 0.00 C ATOM 1121 C LEU A 72 -3.872 2.992 -8.482 1.00 0.00 C ATOM 1122 O LEU A 72 -2.830 3.643 -8.482 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.058 3.382 -9.616 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.082 4.850 -9.187 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.176 5.761 -10.401 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.235 5.108 -8.227 1.00 0.00 C ATOM 0 H LEU A 72 -5.573 0.890 -9.785 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.123 3.288 -10.578 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.590 3.286 -10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.608 2.794 -8.881 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.150 5.072 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.192 6.801 -10.075 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.314 5.596 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.090 5.540 -10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.236 6.158 -7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.178 4.868 -8.718 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.118 4.483 -7.342 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.379 2.434 -7.387 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.751 2.592 -6.074 1.00 0.00 C ATOM 1140 C VAL A 73 -2.323 2.058 -6.031 1.00 0.00 C ATOM 1141 O VAL A 73 -1.385 2.808 -5.758 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.579 1.902 -4.976 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.962 2.138 -3.605 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.018 2.393 -5.015 1.00 0.00 C ATOM 0 H VAL A 73 -5.226 1.866 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.714 3.666 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.576 0.828 -5.163 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.564 1.641 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.950 1.734 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.930 3.208 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.593 1.897 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.039 3.471 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.454 2.164 -5.987 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.158 0.766 -6.290 1.00 0.00 N ATOM 1155 CA GLU A 74 -0.833 0.150 -6.252 1.00 0.00 C ATOM 1156 C GLU A 74 0.163 0.919 -7.117 1.00 0.00 C ATOM 1157 O GLU A 74 1.302 1.152 -6.706 1.00 0.00 O ATOM 1158 CB GLU A 74 -0.905 -1.306 -6.712 1.00 0.00 C ATOM 1159 CG GLU A 74 0.367 -2.091 -6.441 1.00 0.00 C ATOM 1160 CD GLU A 74 0.317 -3.495 -7.011 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.185 -4.402 -6.314 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.779 -3.688 -8.156 1.00 0.00 O ATOM 0 H GLU A 74 -2.917 0.127 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.485 0.182 -5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.739 -1.796 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.117 -1.331 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.216 -1.559 -6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.534 -2.145 -5.365 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.267 1.318 -8.309 1.00 0.00 N ATOM 1170 CA LYS A 75 0.600 2.057 -9.221 1.00 0.00 C ATOM 1171 C LYS A 75 0.745 3.513 -8.785 1.00 0.00 C ATOM 1172 O LYS A 75 1.708 4.183 -9.154 1.00 0.00 O ATOM 1173 CB LYS A 75 0.064 1.987 -10.653 1.00 0.00 C ATOM 1174 CG LYS A 75 0.128 0.593 -11.257 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.195 0.612 -12.744 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.109 -0.779 -13.352 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.391 -0.763 -14.815 1.00 0.00 N ATOM 0 H LYS A 75 -1.206 1.143 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 75 1.585 1.591 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.970 2.331 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.634 2.673 -11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.123 0.175 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.574 -0.061 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.197 1.014 -12.894 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.497 1.278 -13.259 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.885 -1.191 -13.178 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.819 -1.438 -12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.323 -1.730 -15.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.349 -0.394 -14.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.302 -0.154 -15.295 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.213 4.001 -8.001 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.169 5.377 -7.519 1.00 0.00 C ATOM 1193 C TYR A 76 1.041 5.581 -6.615 1.00 0.00 C ATOM 1194 O TYR A 76 1.751 6.581 -6.727 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.453 5.726 -6.763 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.530 7.174 -6.332 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -2.029 8.147 -7.189 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.101 7.568 -5.070 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -2.100 9.471 -6.800 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.169 8.890 -4.676 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.668 9.838 -5.543 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.736 11.155 -5.153 1.00 0.00 O ATOM 0 H TYR A 76 -1.024 3.467 -7.688 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.083 6.039 -8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.310 5.499 -7.396 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.530 5.089 -5.882 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.367 7.864 -8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.708 6.829 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.492 10.215 -7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.832 9.180 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.622 11.734 -5.935 1.00 0.00 H new ATOM 1212 N ILE A 77 1.273 4.624 -5.722 1.00 0.00 N ATOM 1213 CA ILE A 77 2.400 4.695 -4.800 1.00 0.00 C ATOM 1214 C ILE A 77 3.712 4.402 -5.521 1.00 0.00 C ATOM 1215 O ILE A 77 4.704 5.104 -5.333 1.00 0.00 O ATOM 1216 CB ILE A 77 2.237 3.702 -3.631 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.906 3.935 -2.910 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.401 3.832 -2.658 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.578 2.873 -1.883 1.00 0.00 C ATOM 0 H ILE A 77 0.695 3.790 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 77 2.421 5.709 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 77 2.236 2.690 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.934 4.907 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.105 3.974 -3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.271 3.125 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.335 3.618 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.431 4.846 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.378 3.104 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.517 1.901 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.359 2.848 -1.123 1.00 0.00 H new ATOM 1231 N GLU A 78 3.707 3.361 -6.350 1.00 0.00 N ATOM 1232 CA GLU A 78 4.898 2.968 -7.097 1.00 0.00 C ATOM 1233 C GLU A 78 5.429 4.119 -7.947 1.00 0.00 C ATOM 1234 O GLU A 78 6.627 4.404 -7.940 1.00 0.00 O ATOM 1235 CB GLU A 78 4.589 1.764 -7.989 1.00 0.00 C ATOM 1236 CG GLU A 78 5.785 1.282 -8.795 1.00 0.00 C ATOM 1237 CD GLU A 78 5.449 0.106 -9.690 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.012 0.339 -10.836 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.626 -1.047 -9.245 1.00 0.00 O ATOM 0 H GLU A 78 2.890 2.774 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 78 5.668 2.696 -6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.226 0.945 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.782 2.027 -8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.161 2.103 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.587 0.998 -8.114 1.00 0.00 H new ATOM 1246 N GLU A 79 4.534 4.777 -8.676 1.00 0.00 N ATOM 1247 CA GLU A 79 4.919 5.891 -9.538 1.00 0.00 C ATOM 1248 C GLU A 79 5.461 7.064 -8.728 1.00 0.00 C ATOM 1249 O GLU A 79 6.518 7.608 -9.047 1.00 0.00 O ATOM 1250 CB GLU A 79 3.728 6.347 -10.384 1.00 0.00 C ATOM 1251 CG GLU A 79 3.340 5.359 -11.470 1.00 0.00 C ATOM 1252 CD GLU A 79 4.455 5.128 -12.472 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.617 5.966 -13.383 1.00 0.00 O ATOM 1254 OE2 GLU A 79 5.166 4.109 -12.344 1.00 0.00 O ATOM 0 H GLU A 79 3.538 4.559 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 79 5.713 5.539 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.871 6.511 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.966 7.306 -10.845 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.066 4.409 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.457 5.727 -11.993 1.00 0.00 H new ATOM 1261 N GLN A 80 4.736 7.451 -7.682 1.00 0.00 N ATOM 1262 CA GLN A 80 5.153 8.566 -6.836 1.00 0.00 C ATOM 1263 C GLN A 80 6.534 8.314 -6.235 1.00 0.00 C ATOM 1264 O GLN A 80 7.292 9.252 -5.987 1.00 0.00 O ATOM 1265 CB GLN A 80 4.132 8.800 -5.720 1.00 0.00 C ATOM 1266 CG GLN A 80 2.819 9.392 -6.207 1.00 0.00 C ATOM 1267 CD GLN A 80 2.987 10.770 -6.817 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.924 11.783 -6.119 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.198 10.816 -8.127 1.00 0.00 N ATOM 0 H GLN A 80 3.860 7.011 -7.400 1.00 0.00 H new ATOM 0 HA GLN A 80 5.208 9.458 -7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.930 7.853 -5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.567 9.467 -4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.376 8.724 -6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.121 9.452 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.243 9.952 -8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.315 11.716 -8.593 1.00 0.00 H new ATOM 1278 N LEU A 81 6.856 7.045 -6.004 1.00 0.00 N ATOM 1279 CA LEU A 81 8.147 6.675 -5.433 1.00 0.00 C ATOM 1280 C LEU A 81 9.252 6.727 -6.486 1.00 0.00 C ATOM 1281 O LEU A 81 10.369 7.162 -6.204 1.00 0.00 O ATOM 1282 CB LEU A 81 8.077 5.275 -4.817 1.00 0.00 C ATOM 1283 CG LEU A 81 7.196 5.155 -3.570 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.060 3.699 -3.151 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.768 5.986 -2.431 1.00 0.00 C ATOM 0 H LEU A 81 6.241 6.256 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 81 8.385 7.397 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.707 4.581 -5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.088 4.957 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 81 6.204 5.538 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.431 3.633 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.606 3.128 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.046 3.291 -2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.129 5.889 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.771 5.633 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.814 7.033 -2.732 1.00 0.00 H new ATOM 1297 N LEU A 82 8.934 6.282 -7.699 1.00 0.00 N ATOM 1298 CA LEU A 82 9.906 6.274 -8.790 1.00 0.00 C ATOM 1299 C LEU A 82 10.280 7.693 -9.208 1.00 0.00 C ATOM 1300 O LEU A 82 11.363 7.926 -9.745 1.00 0.00 O ATOM 1301 CB LEU A 82 9.351 5.503 -9.992 1.00 0.00 C ATOM 1302 CG LEU A 82 9.183 3.997 -9.778 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.491 3.361 -10.974 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.532 3.339 -9.532 1.00 0.00 C ATOM 0 H LEU A 82 8.013 5.923 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 82 10.807 5.776 -8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.383 5.926 -10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.014 5.661 -10.843 1.00 0.00 H new ATOM 0 HG LEU A 82 8.559 3.843 -8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.380 2.290 -10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.507 3.811 -11.107 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.089 3.526 -11.870 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.393 2.268 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.180 3.503 -10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.992 3.773 -8.644 1.00 0.00 H new ATOM 1316 N GLN A 83 9.380 8.639 -8.957 1.00 0.00 N ATOM 1317 CA GLN A 83 9.621 10.034 -9.308 1.00 0.00 C ATOM 1318 C GLN A 83 10.831 10.587 -8.559 1.00 0.00 C ATOM 1319 O GLN A 83 11.407 11.600 -8.953 1.00 0.00 O ATOM 1320 CB GLN A 83 8.386 10.883 -9.000 1.00 0.00 C ATOM 1321 CG GLN A 83 7.218 10.618 -9.937 1.00 0.00 C ATOM 1322 CD GLN A 83 6.025 11.517 -9.661 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.267 11.853 -10.570 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.852 11.909 -8.403 1.00 0.00 N ATOM 0 H GLN A 83 8.479 8.465 -8.513 1.00 0.00 H new ATOM 0 HA GLN A 83 9.827 10.079 -10.377 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.070 10.691 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.656 11.937 -9.058 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.545 10.762 -10.967 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.912 9.576 -9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.505 11.607 -7.680 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.066 12.512 -8.160 1.00 0.00 H new ATOM 1333 N ARG A 84 11.211 9.911 -7.479 1.00 0.00 N ATOM 1334 CA ARG A 84 12.351 10.334 -6.674 1.00 0.00 C ATOM 1335 C ARG A 84 13.469 9.293 -6.722 1.00 0.00 C ATOM 1336 O ARG A 84 14.643 9.623 -6.559 1.00 0.00 O ATOM 1337 CB ARG A 84 11.916 10.574 -5.228 1.00 0.00 C ATOM 1338 CG ARG A 84 10.868 11.666 -5.082 1.00 0.00 C ATOM 1339 CD ARG A 84 10.313 11.722 -3.667 1.00 0.00 C ATOM 1340 NE ARG A 84 9.304 12.768 -3.518 1.00 0.00 N ATOM 1341 CZ ARG A 84 8.633 12.993 -2.391 1.00 0.00 C ATOM 1342 NH1 ARG A 84 8.863 12.248 -1.318 1.00 0.00 N ATOM 1343 NH2 ARG A 84 7.733 13.964 -2.338 1.00 0.00 N ATOM 0 H ARG A 84 10.746 9.068 -7.141 1.00 0.00 H new ATOM 0 HA ARG A 84 12.734 11.266 -7.089 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.521 9.645 -4.817 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.790 10.839 -4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.307 12.630 -5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.055 11.488 -5.786 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.876 10.757 -3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.127 11.900 -2.965 1.00 0.00 H new ATOM 0 HE ARG A 84 9.102 13.360 -4.324 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.556 11.500 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.347 12.423 -0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.554 14.539 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.219 14.136 -1.474 1.00 0.00 H new ATOM 1357 N ILE A 85 13.094 8.037 -6.946 1.00 0.00 N ATOM 1358 CA ILE A 85 14.065 6.950 -7.020 1.00 0.00 C ATOM 1359 C ILE A 85 13.798 6.068 -8.243 1.00 0.00 C ATOM 1360 O ILE A 85 12.968 5.162 -8.188 1.00 0.00 O ATOM 1361 CB ILE A 85 14.042 6.072 -5.751 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.221 6.931 -4.497 1.00 0.00 C ATOM 1363 CG2 ILE A 85 15.127 5.005 -5.823 1.00 0.00 C ATOM 1364 CD1 ILE A 85 12.921 7.483 -3.948 1.00 0.00 C ATOM 0 H ILE A 85 12.125 7.747 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 85 15.049 7.411 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 85 13.072 5.578 -5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.707 6.335 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 85 14.889 7.761 -4.728 1.00 0.00 H new ATOM 0 HG21 ILE A 85 15.097 4.394 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.958 4.373 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 85 16.103 5.483 -5.905 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.126 8.081 -3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.443 8.107 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 85 12.258 6.659 -3.685 1.00 0.00 H new ATOM 1376 N PRO A 86 14.498 6.327 -9.367 1.00 0.00 N ATOM 1377 CA PRO A 86 14.323 5.552 -10.602 1.00 0.00 C ATOM 1378 C PRO A 86 14.871 4.135 -10.487 1.00 0.00 C ATOM 1379 O PRO A 86 14.764 3.340 -11.421 1.00 0.00 O ATOM 1380 CB PRO A 86 15.118 6.350 -11.638 1.00 0.00 C ATOM 1381 CG PRO A 86 16.151 7.072 -10.845 1.00 0.00 C ATOM 1382 CD PRO A 86 15.512 7.388 -9.522 1.00 0.00 C ATOM 0 HA PRO A 86 13.270 5.426 -10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.574 5.694 -12.379 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.477 7.045 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.041 6.457 -10.711 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.467 7.983 -11.353 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.239 7.370 -8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.059 8.379 -9.522 1.00 0.00 H new ATOM 1390 N GLU A 87 15.460 3.826 -9.339 1.00 0.00 N ATOM 1391 CA GLU A 87 16.028 2.504 -9.101 1.00 0.00 C ATOM 1392 C GLU A 87 15.256 1.768 -8.010 1.00 0.00 C ATOM 1393 O GLU A 87 15.722 0.760 -7.477 1.00 0.00 O ATOM 1394 CB GLU A 87 17.502 2.625 -8.710 1.00 0.00 C ATOM 1395 CG GLU A 87 18.374 3.215 -9.807 1.00 0.00 C ATOM 1396 CD GLU A 87 19.839 3.270 -9.421 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.557 2.278 -9.672 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.270 4.304 -8.870 1.00 0.00 O ATOM 0 H GLU A 87 15.557 4.473 -8.557 1.00 0.00 H new ATOM 0 HA GLU A 87 15.950 1.929 -10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.583 3.247 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.882 1.638 -8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.263 2.620 -10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.026 4.221 -10.041 1.00 0.00 H new ATOM 1405 N PHE A 88 14.070 2.275 -7.687 1.00 0.00 N ATOM 1406 CA PHE A 88 13.230 1.670 -6.658 1.00 0.00 C ATOM 1407 C PHE A 88 12.437 0.496 -7.221 1.00 0.00 C ATOM 1408 O PHE A 88 12.009 0.518 -8.375 1.00 0.00 O ATOM 1409 CB PHE A 88 12.274 2.713 -6.076 1.00 0.00 C ATOM 1410 CG PHE A 88 11.457 2.207 -4.920 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.971 2.225 -3.634 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.177 1.717 -5.121 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.222 1.765 -2.568 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.424 1.254 -4.059 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.947 1.278 -2.781 1.00 0.00 C ATOM 0 H PHE A 88 13.668 3.105 -8.124 1.00 0.00 H new ATOM 0 HA PHE A 88 13.880 1.298 -5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.850 3.579 -5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.601 3.055 -6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.968 2.603 -3.463 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.763 1.697 -6.118 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.633 1.786 -1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.427 0.874 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.360 0.917 -1.950 1.00 0.00 H new ATOM 1425 N ASN A 89 12.242 -0.528 -6.395 1.00 0.00 N ATOM 1426 CA ASN A 89 11.497 -1.710 -6.805 1.00 0.00 C ATOM 1427 C ASN A 89 10.327 -1.957 -5.859 1.00 0.00 C ATOM 1428 O ASN A 89 10.510 -2.451 -4.746 1.00 0.00 O ATOM 1429 CB ASN A 89 12.416 -2.934 -6.834 1.00 0.00 C ATOM 1430 CG ASN A 89 11.880 -4.056 -7.707 1.00 0.00 C ATOM 1431 OD1 ASN A 89 12.648 -4.817 -8.294 1.00 0.00 O ATOM 1432 ND2 ASN A 89 10.559 -4.166 -7.797 1.00 0.00 N ATOM 0 H ASN A 89 12.591 -0.561 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 89 11.106 -1.540 -7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.399 -2.635 -7.198 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.551 -3.304 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.146 -4.903 -8.369 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.957 -3.514 -7.294 1.00 0.00 H new ATOM 1439 N MET A 90 9.125 -1.610 -6.307 1.00 0.00 N ATOM 1440 CA MET A 90 7.923 -1.787 -5.498 1.00 0.00 C ATOM 1441 C MET A 90 7.679 -3.263 -5.194 1.00 0.00 C ATOM 1442 O MET A 90 7.099 -3.606 -4.164 1.00 0.00 O ATOM 1443 CB MET A 90 6.709 -1.189 -6.214 1.00 0.00 C ATOM 1444 CG MET A 90 5.457 -1.139 -5.353 1.00 0.00 C ATOM 1445 SD MET A 90 5.696 -0.188 -3.838 1.00 0.00 S ATOM 1446 CE MET A 90 4.071 -0.317 -3.091 1.00 0.00 C ATOM 0 H MET A 90 8.957 -1.204 -7.227 1.00 0.00 H new ATOM 0 HA MET A 90 8.071 -1.264 -4.553 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.953 -0.179 -6.544 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.501 -1.775 -7.109 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.642 -0.700 -5.928 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.156 -2.155 -5.097 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.062 0.223 -2.144 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.327 0.113 -3.761 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.835 -1.366 -2.913 1.00 0.00 H new ATOM 1456 N ALA A 91 8.129 -4.133 -6.094 1.00 0.00 N ATOM 1457 CA ALA A 91 7.958 -5.572 -5.917 1.00 0.00 C ATOM 1458 C ALA A 91 8.891 -6.110 -4.837 1.00 0.00 C ATOM 1459 O ALA A 91 8.455 -6.807 -3.920 1.00 0.00 O ATOM 1460 CB ALA A 91 8.199 -6.296 -7.233 1.00 0.00 C ATOM 0 H ALA A 91 8.614 -3.868 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 91 6.932 -5.753 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.068 -7.368 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.487 -5.942 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.214 -6.097 -7.577 1.00 0.00 H new ATOM 1466 N ALA A 92 10.174 -5.783 -4.953 1.00 0.00 N ATOM 1467 CA ALA A 92 11.168 -6.234 -3.987 1.00 0.00 C ATOM 1468 C ALA A 92 10.958 -5.571 -2.630 1.00 0.00 C ATOM 1469 O ALA A 92 11.337 -6.120 -1.596 1.00 0.00 O ATOM 1470 CB ALA A 92 12.571 -5.948 -4.502 1.00 0.00 C ATOM 0 H ALA A 92 10.549 -5.207 -5.707 1.00 0.00 H new ATOM 0 HA ALA A 92 11.050 -7.310 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.304 -6.290 -3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.727 -6.473 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.689 -4.876 -4.660 1.00 0.00 H new ATOM 1476 N PHE A 93 10.349 -4.389 -2.642 1.00 0.00 N ATOM 1477 CA PHE A 93 10.093 -3.652 -1.412 1.00 0.00 C ATOM 1478 C PHE A 93 8.983 -4.309 -0.598 1.00 0.00 C ATOM 1479 O PHE A 93 9.135 -4.529 0.601 1.00 0.00 O ATOM 1480 CB PHE A 93 9.724 -2.198 -1.721 1.00 0.00 C ATOM 1481 CG PHE A 93 9.364 -1.399 -0.499 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.286 -1.215 0.519 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.104 -0.837 -0.369 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.958 -0.484 1.645 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.772 -0.103 0.754 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.699 0.073 1.762 1.00 0.00 C ATOM 0 H PHE A 93 10.025 -3.923 -3.489 1.00 0.00 H new ATOM 0 HA PHE A 93 11.008 -3.667 -0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.562 -1.718 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.884 -2.184 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.272 -1.648 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.374 -0.974 -1.153 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.685 -0.348 2.432 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.788 0.333 0.843 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.440 0.645 2.641 1.00 0.00 H new ATOM 1496 N THR A 94 7.868 -4.618 -1.255 1.00 0.00 N ATOM 1497 CA THR A 94 6.735 -5.245 -0.582 1.00 0.00 C ATOM 1498 C THR A 94 7.122 -6.591 0.020 1.00 0.00 C ATOM 1499 O THR A 94 6.795 -6.879 1.172 1.00 0.00 O ATOM 1500 CB THR A 94 5.546 -5.446 -1.539 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.974 -6.138 -2.718 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.930 -4.109 -1.921 1.00 0.00 C ATOM 0 H THR A 94 7.725 -4.445 -2.250 1.00 0.00 H new ATOM 0 HA THR A 94 6.435 -4.567 0.217 1.00 0.00 H new ATOM 0 HB THR A 94 4.791 -6.043 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.951 -6.101 -2.782 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.092 -4.275 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.577 -3.601 -1.023 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.679 -3.491 -2.416 1.00 0.00 H new ATOM 1510 N THR A 95 7.816 -7.412 -0.762 1.00 0.00 N ATOM 1511 CA THR A 95 8.246 -8.725 -0.295 1.00 0.00 C ATOM 1512 C THR A 95 9.093 -8.605 0.967 1.00 0.00 C ATOM 1513 O THR A 95 8.846 -9.290 1.960 1.00 0.00 O ATOM 1514 CB THR A 95 9.050 -9.473 -1.376 1.00 0.00 C ATOM 1515 OG1 THR A 95 10.136 -8.658 -1.832 1.00 0.00 O ATOM 1516 CG2 THR A 95 8.159 -9.848 -2.550 1.00 0.00 C ATOM 0 H THR A 95 8.092 -7.192 -1.719 1.00 0.00 H new ATOM 0 HA THR A 95 7.344 -9.294 -0.071 1.00 0.00 H new ATOM 0 HB THR A 95 9.446 -10.388 -0.936 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.642 -9.142 -2.518 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.748 -10.375 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.352 -10.494 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.737 -8.944 -2.989 1.00 0.00 H new ATOM 1524 N THR A 96 10.090 -7.728 0.921 1.00 0.00 N ATOM 1525 CA THR A 96 10.973 -7.511 2.062 1.00 0.00 C ATOM 1526 C THR A 96 10.219 -6.859 3.219 1.00 0.00 C ATOM 1527 O THR A 96 10.552 -7.063 4.388 1.00 0.00 O ATOM 1528 CB THR A 96 12.178 -6.631 1.677 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.835 -7.179 0.527 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.168 -6.528 2.827 1.00 0.00 C ATOM 0 H THR A 96 10.307 -7.155 0.105 1.00 0.00 H new ATOM 0 HA THR A 96 11.338 -8.488 2.378 1.00 0.00 H new ATOM 0 HB THR A 96 11.809 -5.632 1.447 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.384 -6.869 -0.286 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.009 -5.902 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.675 -6.086 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.531 -7.523 3.085 1.00 0.00 H new ATOM 1538 N LEU A 97 9.197 -6.075 2.883 1.00 0.00 N ATOM 1539 CA LEU A 97 8.394 -5.392 3.890 1.00 0.00 C ATOM 1540 C LEU A 97 7.683 -6.402 4.784 1.00 0.00 C ATOM 1541 O LEU A 97 7.558 -6.197 5.990 1.00 0.00 O ATOM 1542 CB LEU A 97 7.365 -4.474 3.220 1.00 0.00 C ATOM 1543 CG LEU A 97 7.027 -3.197 3.995 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.183 -2.264 3.140 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.302 -3.527 5.293 1.00 0.00 C ATOM 0 H LEU A 97 8.907 -5.898 1.921 1.00 0.00 H new ATOM 0 HA LEU A 97 9.061 -4.787 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.739 -4.194 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.446 -5.039 3.063 1.00 0.00 H new ATOM 0 HG LEU A 97 7.961 -2.693 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.952 -1.362 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.736 -1.996 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.256 -2.765 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.072 -2.604 5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.376 -4.056 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.938 -4.157 5.915 1.00 0.00 H new ATOM 1557 N GLN A 98 7.224 -7.497 4.181 1.00 0.00 N ATOM 1558 CA GLN A 98 6.523 -8.540 4.921 1.00 0.00 C ATOM 1559 C GLN A 98 7.331 -8.981 6.136 1.00 0.00 C ATOM 1560 O GLN A 98 6.769 -9.283 7.189 1.00 0.00 O ATOM 1561 CB GLN A 98 6.242 -9.739 4.013 1.00 0.00 C ATOM 1562 CG GLN A 98 5.437 -9.384 2.773 1.00 0.00 C ATOM 1563 CD GLN A 98 5.060 -10.604 1.954 1.00 0.00 C ATOM 1564 OE1 GLN A 98 4.006 -11.202 2.161 1.00 0.00 O ATOM 1565 NE2 GLN A 98 5.924 -10.979 1.017 1.00 0.00 N ATOM 0 H GLN A 98 7.326 -7.683 3.183 1.00 0.00 H new ATOM 0 HA GLN A 98 5.575 -8.130 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.189 -10.183 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.704 -10.497 4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.531 -8.857 3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.015 -8.699 2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.787 -10.453 0.879 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.724 -11.793 0.435 1.00 0.00 H new ATOM 1574 N HIS A 99 8.651 -9.014 5.983 1.00 0.00 N ATOM 1575 CA HIS A 99 9.532 -9.407 7.075 1.00 0.00 C ATOM 1576 C HIS A 99 9.651 -8.279 8.093 1.00 0.00 C ATOM 1577 O HIS A 99 9.580 -8.505 9.301 1.00 0.00 O ATOM 1578 CB HIS A 99 10.918 -9.774 6.540 1.00 0.00 C ATOM 1579 CG HIS A 99 10.902 -10.914 5.570 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.081 -12.228 5.952 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.731 -10.934 4.228 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.019 -13.006 4.886 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.807 -12.245 3.828 1.00 0.00 N ATOM 0 H HIS A 99 9.132 -8.774 5.116 1.00 0.00 H new ATOM 0 HA HIS A 99 9.102 -10.281 7.564 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.354 -8.901 6.055 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.566 -10.030 7.378 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.566 -10.078 3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 99 11.124 -14.081 4.881 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.715 -12.578 2.868 1.00 0.00 H new ATOM 1592 N HIS A 100 9.819 -7.057 7.593 1.00 0.00 N ATOM 1593 CA HIS A 100 9.949 -5.892 8.459 1.00 0.00 C ATOM 1594 C HIS A 100 8.626 -5.571 9.144 1.00 0.00 C ATOM 1595 O HIS A 100 8.552 -4.665 9.973 1.00 0.00 O ATOM 1596 CB HIS A 100 10.433 -4.681 7.660 1.00 0.00 C ATOM 1597 CG HIS A 100 11.860 -4.788 7.226 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.922 -4.714 8.104 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.401 -4.968 6.000 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.054 -4.843 7.435 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.765 -5.001 6.157 1.00 0.00 N ATOM 0 H HIS A 100 9.868 -6.850 6.595 1.00 0.00 H new ATOM 0 HA HIS A 100 10.687 -6.126 9.227 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.801 -4.560 6.780 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.312 -3.783 8.266 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.861 -5.067 5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.046 -4.823 7.861 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.445 -5.127 5.407 1.00 0.00 H new ATOM 1610 N LYS A 101 7.584 -6.318 8.796 1.00 0.00 N ATOM 1611 CA LYS A 101 6.267 -6.111 9.387 1.00 0.00 C ATOM 1612 C LYS A 101 6.290 -6.443 10.876 1.00 0.00 C ATOM 1613 O LYS A 101 5.369 -6.097 11.616 1.00 0.00 O ATOM 1614 CB LYS A 101 5.223 -6.970 8.669 1.00 0.00 C ATOM 1615 CG LYS A 101 3.793 -6.673 9.090 1.00 0.00 C ATOM 1616 CD LYS A 101 2.782 -7.397 8.211 1.00 0.00 C ATOM 1617 CE LYS A 101 2.837 -8.906 8.409 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.956 -9.534 7.654 1.00 0.00 N ATOM 0 H LYS A 101 7.625 -7.071 8.109 1.00 0.00 H new ATOM 0 HA LYS A 101 5.998 -5.061 9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.315 -6.815 7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.437 -8.022 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.651 -6.971 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.615 -5.599 9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.779 -7.037 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.975 -7.161 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.948 -9.127 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.893 -9.347 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.592 -10.330 7.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.385 -8.830 7.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.674 -9.881 8.322 1.00 0.00 H new ATOM 1632 N ASP A 102 7.355 -7.114 11.308 1.00 0.00 N ATOM 1633 CA ASP A 102 7.502 -7.497 12.708 1.00 0.00 C ATOM 1634 C ASP A 102 8.033 -6.336 13.546 1.00 0.00 C ATOM 1635 O ASP A 102 7.902 -6.333 14.770 1.00 0.00 O ATOM 1636 CB ASP A 102 8.439 -8.701 12.831 1.00 0.00 C ATOM 1637 CG ASP A 102 8.644 -9.136 14.269 1.00 0.00 C ATOM 1638 OD1 ASP A 102 7.851 -9.968 14.756 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.598 -8.643 14.907 1.00 0.00 O ATOM 0 H ASP A 102 8.128 -7.403 10.708 1.00 0.00 H new ATOM 0 HA ASP A 102 6.517 -7.768 13.087 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.031 -9.534 12.258 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.404 -8.452 12.389 1.00 0.00 H new ATOM 1644 N GLU A 103 8.630 -5.350 12.881 1.00 0.00 N ATOM 1645 CA GLU A 103 9.181 -4.189 13.574 1.00 0.00 C ATOM 1646 C GLU A 103 8.435 -2.909 13.200 1.00 0.00 C ATOM 1647 O GLU A 103 7.975 -2.174 14.074 1.00 0.00 O ATOM 1648 CB GLU A 103 10.673 -4.041 13.265 1.00 0.00 C ATOM 1649 CG GLU A 103 10.998 -4.062 11.779 1.00 0.00 C ATOM 1650 CD GLU A 103 12.484 -3.933 11.507 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.974 -2.788 11.422 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.156 -4.978 11.377 1.00 0.00 O ATOM 0 H GLU A 103 8.744 -5.332 11.868 1.00 0.00 H new ATOM 0 HA GLU A 103 9.054 -4.351 14.644 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.032 -3.105 13.693 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.218 -4.846 13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.632 -4.992 11.344 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.469 -3.248 11.283 1.00 0.00 H new ATOM 1659 N VAL A 104 8.319 -2.645 11.900 1.00 0.00 N ATOM 1660 CA VAL A 104 7.629 -1.451 11.423 1.00 0.00 C ATOM 1661 C VAL A 104 6.189 -1.417 11.926 1.00 0.00 C ATOM 1662 O VAL A 104 5.639 -2.445 12.323 1.00 0.00 O ATOM 1663 CB VAL A 104 7.637 -1.373 9.879 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.616 -2.329 9.278 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.380 0.052 9.413 1.00 0.00 C ATOM 0 H VAL A 104 8.693 -3.240 11.161 1.00 0.00 H new ATOM 0 HA VAL A 104 8.167 -0.590 11.818 1.00 0.00 H new ATOM 0 HB VAL A 104 8.625 -1.675 9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.643 -2.254 8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.853 -3.350 9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.620 -2.069 9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.390 0.086 8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.408 0.384 9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.158 0.708 9.803 1.00 0.00 H new ATOM 1675 N ALA A 105 5.583 -0.234 11.910 1.00 0.00 N ATOM 1676 CA ALA A 105 4.208 -0.078 12.367 1.00 0.00 C ATOM 1677 C ALA A 105 3.261 -0.962 11.566 1.00 0.00 C ATOM 1678 O ALA A 105 2.970 -0.684 10.403 1.00 0.00 O ATOM 1679 CB ALA A 105 3.780 1.379 12.268 1.00 0.00 C ATOM 0 H ALA A 105 6.022 0.628 11.586 1.00 0.00 H new ATOM 0 HA ALA A 105 4.161 -0.389 13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.751 1.480 12.613 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.433 1.993 12.889 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.850 1.709 11.231 1.00 0.00 H new ATOM 1685 N GLY A 106 2.781 -2.029 12.198 1.00 0.00 N ATOM 1686 CA GLY A 106 1.871 -2.938 11.530 1.00 0.00 C ATOM 1687 C GLY A 106 0.544 -2.285 11.199 1.00 0.00 C ATOM 1688 O GLY A 106 -0.096 -2.635 10.209 1.00 0.00 O ATOM 0 H GLY A 106 3.007 -2.279 13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.333 -3.302 10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.697 -3.807 12.165 1.00 0.00 H new ATOM 1692 N ASP A 107 0.135 -1.333 12.031 1.00 0.00 N ATOM 1693 CA ASP A 107 -1.124 -0.626 11.828 1.00 0.00 C ATOM 1694 C ASP A 107 -1.101 0.183 10.535 1.00 0.00 C ATOM 1695 O ASP A 107 -2.099 0.248 9.817 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.409 0.299 13.013 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.474 -0.449 14.330 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.560 -0.963 14.668 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -0.437 -0.520 15.023 1.00 0.00 O ATOM 0 H ASP A 107 0.658 -1.033 12.854 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.917 -1.370 11.752 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.632 1.061 13.070 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.353 0.818 12.846 1.00 0.00 H new ATOM 1704 N ILE A 108 0.042 0.797 10.241 1.00 0.00 N ATOM 1705 CA ILE A 108 0.182 1.605 9.035 1.00 0.00 C ATOM 1706 C ILE A 108 0.228 0.735 7.785 1.00 0.00 C ATOM 1707 O ILE A 108 -0.504 0.978 6.823 1.00 0.00 O ATOM 1708 CB ILE A 108 1.450 2.479 9.088 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.417 3.380 10.326 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.575 3.311 7.818 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.668 4.214 10.511 1.00 0.00 C ATOM 0 H ILE A 108 0.881 0.750 10.819 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.695 2.251 8.988 1.00 0.00 H new ATOM 0 HB ILE A 108 2.323 1.830 9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.556 4.045 10.257 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.271 2.760 11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.476 3.923 7.871 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.636 2.649 6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.703 3.957 7.719 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.569 4.825 11.408 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.532 3.557 10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.805 4.861 9.645 1.00 0.00 H new ATOM 1723 N PHE A 109 1.082 -0.285 7.800 1.00 0.00 N ATOM 1724 CA PHE A 109 1.208 -1.180 6.659 1.00 0.00 C ATOM 1725 C PHE A 109 -0.075 -1.973 6.448 1.00 0.00 C ATOM 1726 O PHE A 109 -0.396 -2.353 5.325 1.00 0.00 O ATOM 1727 CB PHE A 109 2.391 -2.137 6.829 1.00 0.00 C ATOM 1728 CG PHE A 109 2.542 -3.100 5.681 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.581 -2.640 4.372 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.635 -4.464 5.910 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.712 -3.521 3.314 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.767 -5.350 4.855 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.804 -4.878 3.557 1.00 0.00 C ATOM 0 H PHE A 109 1.693 -0.510 8.586 1.00 0.00 H new ATOM 0 HA PHE A 109 1.390 -0.563 5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.308 -1.557 6.932 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.265 -2.700 7.754 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.508 -1.580 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.604 -4.839 6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.742 -3.149 2.300 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.841 -6.410 5.046 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.905 -5.569 2.733 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.805 -2.216 7.536 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.053 -2.973 7.470 1.00 0.00 C ATOM 1745 C ASP A 110 -2.949 -2.450 6.353 1.00 0.00 C ATOM 1746 O ASP A 110 -3.738 -3.199 5.776 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.793 -2.901 8.808 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.115 -3.640 8.778 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.099 -4.887 8.840 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.167 -2.973 8.690 1.00 0.00 O ATOM 0 H ASP A 110 -0.553 -1.900 8.473 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.805 -4.013 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.163 -3.321 9.592 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.969 -1.857 9.067 1.00 0.00 H new ATOM 1755 N MET A 111 -2.826 -1.161 6.054 1.00 0.00 N ATOM 1756 CA MET A 111 -3.611 -0.548 4.991 1.00 0.00 C ATOM 1757 C MET A 111 -3.097 -1.009 3.633 1.00 0.00 C ATOM 1758 O MET A 111 -3.860 -1.478 2.786 1.00 0.00 O ATOM 1759 CB MET A 111 -3.541 0.978 5.088 1.00 0.00 C ATOM 1760 CG MET A 111 -4.251 1.694 3.951 1.00 0.00 C ATOM 1761 SD MET A 111 -3.946 3.472 3.956 1.00 0.00 S ATOM 1762 CE MET A 111 -2.166 3.509 3.753 1.00 0.00 C ATOM 0 H MET A 111 -2.191 -0.522 6.533 1.00 0.00 H new ATOM 0 HA MET A 111 -4.651 -0.856 5.102 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.979 1.294 6.035 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.495 1.285 5.103 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.922 1.275 3.000 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.323 1.512 4.025 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.895 4.307 3.061 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.693 3.690 4.718 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.825 2.553 3.356 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.788 -0.879 3.441 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.144 -1.278 2.196 1.00 0.00 C ATOM 1774 C LEU A 112 -1.220 -2.791 2.018 1.00 0.00 C ATOM 1775 O LEU A 112 -1.142 -3.302 0.903 1.00 0.00 O ATOM 1776 CB LEU A 112 0.315 -0.818 2.183 1.00 0.00 C ATOM 1777 CG LEU A 112 0.529 0.678 2.440 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.013 1.000 2.514 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.144 1.508 1.356 1.00 0.00 C ATOM 0 H LEU A 112 -1.149 -0.497 4.138 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.669 -0.803 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.864 -1.382 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.750 -1.070 1.216 1.00 0.00 H new ATOM 0 HG LEU A 112 0.074 0.930 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.145 2.066 2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.468 0.433 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.491 0.731 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.019 2.567 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.281 1.252 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.214 1.300 1.350 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.382 -3.497 3.132 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.463 -4.953 3.126 1.00 0.00 C ATOM 1793 C LEU A 113 -2.490 -5.439 2.110 1.00 0.00 C ATOM 1794 O LEU A 113 -2.381 -6.548 1.586 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.822 -5.466 4.523 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.762 -6.984 4.701 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.338 -7.489 4.519 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.296 -7.378 6.069 1.00 0.00 C ATOM 0 H LEU A 113 -1.460 -3.079 4.059 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.488 -5.347 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.147 -5.006 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.829 -5.128 4.768 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.389 -7.445 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.316 -8.571 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.012 -7.237 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.311 -7.021 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.247 -8.461 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.693 -6.906 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.331 -7.050 6.164 1.00 0.00 H new ATOM 1810 N THR A 114 -3.488 -4.603 1.838 1.00 0.00 N ATOM 1811 CA THR A 114 -4.539 -4.943 0.883 1.00 0.00 C ATOM 1812 C THR A 114 -3.984 -5.159 -0.528 1.00 0.00 C ATOM 1813 O THR A 114 -4.747 -5.381 -1.468 1.00 0.00 O ATOM 1814 CB THR A 114 -5.622 -3.849 0.829 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.058 -2.621 0.352 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.237 -3.627 2.202 1.00 0.00 C ATOM 0 H THR A 114 -3.591 -3.683 2.266 1.00 0.00 H new ATOM 0 HA THR A 114 -4.980 -5.876 1.235 1.00 0.00 H new ATOM 0 HB THR A 114 -6.404 -4.180 0.145 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.626 -2.149 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.999 -2.850 2.138 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.692 -4.554 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.461 -3.318 2.902 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.660 -5.097 -0.675 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.030 -5.298 -1.977 1.00 0.00 C ATOM 1826 C PHE A 115 -2.266 -6.719 -2.476 1.00 0.00 C ATOM 1827 O PHE A 115 -2.416 -6.948 -3.675 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.521 -5.028 -1.904 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.141 -3.572 -1.990 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.775 -2.722 -2.886 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.858 -3.055 -1.178 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.422 -1.389 -2.968 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.214 -1.722 -1.257 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.573 -0.889 -2.151 1.00 0.00 C ATOM 0 H PHE A 115 -2.008 -4.910 0.087 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.483 -4.593 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.137 -5.436 -0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.029 -5.567 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.554 -3.108 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.363 -3.702 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.923 -0.739 -3.670 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.994 -1.332 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.849 0.153 -2.212 1.00 0.00 H new ATOM 1844 N THR A 116 -2.300 -7.671 -1.547 1.00 0.00 N ATOM 1845 CA THR A 116 -2.513 -9.072 -1.897 1.00 0.00 C ATOM 1846 C THR A 116 -3.422 -9.767 -0.886 1.00 0.00 C ATOM 1847 O THR A 116 -3.847 -10.901 -1.101 1.00 0.00 O ATOM 1848 CB THR A 116 -1.181 -9.841 -1.978 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.512 -9.797 -0.712 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.276 -9.253 -3.052 1.00 0.00 C ATOM 0 H THR A 116 -2.183 -7.498 -0.549 1.00 0.00 H new ATOM 0 HA THR A 116 -2.992 -9.078 -2.876 1.00 0.00 H new ATOM 0 HB THR A 116 -1.403 -10.876 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.333 -10.290 -0.771 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.658 -9.814 -3.088 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.773 -9.313 -4.020 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.063 -8.210 -2.818 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.716 -9.082 0.216 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.569 -9.645 1.259 1.00 0.00 C ATOM 1860 C ASP A 117 -6.022 -9.211 1.082 1.00 0.00 C ATOM 1861 O ASP A 117 -6.456 -8.204 1.646 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.060 -9.230 2.640 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.675 -9.775 2.926 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.697 -9.233 2.370 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.568 -10.744 3.707 1.00 0.00 O ATOM 0 H ASP A 117 -3.378 -8.139 0.410 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.529 -10.731 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.042 -8.142 2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.753 -9.585 3.403 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.769 -9.984 0.299 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.174 -9.691 0.042 1.00 0.00 C ATOM 1872 C PHE A 118 -8.975 -9.703 1.340 1.00 0.00 C ATOM 1873 O PHE A 118 -10.030 -9.076 1.438 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.753 -10.703 -0.948 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.183 -10.430 -1.323 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.490 -9.478 -2.282 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.217 -11.126 -0.718 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.804 -9.224 -2.630 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.533 -10.876 -1.062 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.826 -9.924 -2.020 1.00 0.00 C ATOM 0 H PHE A 118 -6.422 -10.821 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.243 -8.694 -0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.143 -10.704 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.684 -11.701 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.694 -8.928 -2.763 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.993 -11.872 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.031 -8.479 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.331 -11.424 -0.583 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.853 -9.728 -2.291 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.463 -10.423 2.335 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.123 -10.513 3.633 1.00 0.00 C ATOM 1892 C LEU A 119 -9.165 -9.137 4.293 1.00 0.00 C ATOM 1893 O LEU A 119 -10.188 -8.732 4.845 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.385 -11.514 4.534 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.231 -12.186 5.626 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -9.716 -11.166 6.646 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -10.408 -12.932 5.016 1.00 0.00 C ATOM 0 H LEU A 119 -7.594 -10.952 2.267 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.145 -10.864 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.956 -12.293 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.553 -10.997 5.013 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.598 -12.908 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.312 -11.668 7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.858 -10.685 7.116 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.325 -10.413 6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.992 -13.400 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -11.037 -12.232 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.039 -13.700 4.336 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.049 -8.417 4.219 1.00 0.00 N ATOM 1910 CA ALA A 120 -7.960 -7.084 4.804 1.00 0.00 C ATOM 1911 C ALA A 120 -8.714 -6.072 3.949 1.00 0.00 C ATOM 1912 O ALA A 120 -9.182 -5.048 4.446 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.504 -6.671 4.960 1.00 0.00 C ATOM 0 H ALA A 120 -7.195 -8.734 3.760 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.421 -7.109 5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.453 -5.674 5.398 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.993 -7.380 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.021 -6.663 3.983 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.820 -6.370 2.658 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.518 -5.499 1.717 1.00 0.00 C ATOM 1921 C PHE A 121 -11.005 -5.425 2.056 1.00 0.00 C ATOM 1922 O PHE A 121 -11.561 -4.340 2.251 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.328 -6.034 0.293 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.564 -5.022 -0.794 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.908 -3.801 -0.782 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.434 -5.300 -1.838 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.117 -2.876 -1.788 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.644 -4.380 -2.847 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.985 -3.166 -2.822 1.00 0.00 C ATOM 0 H PHE A 121 -8.429 -7.213 2.237 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.102 -4.494 1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.313 -6.421 0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.005 -6.875 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.226 -3.570 0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.953 -6.247 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.602 -1.927 -1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.323 -4.610 -3.655 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.148 -2.445 -3.610 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.638 -6.591 2.140 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.058 -6.678 2.458 1.00 0.00 C ATOM 1941 C LYS A 122 -13.329 -6.163 3.867 1.00 0.00 C ATOM 1942 O LYS A 122 -14.343 -5.511 4.117 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.534 -8.125 2.329 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.023 -8.307 2.565 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.416 -9.775 2.495 1.00 0.00 C ATOM 1946 CE LYS A 122 -16.915 -9.961 2.653 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.678 -9.258 1.584 1.00 0.00 N ATOM 0 H LYS A 122 -11.186 -7.493 1.991 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.608 -6.055 1.753 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.287 -8.491 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.985 -8.742 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.291 -7.902 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.584 -7.742 1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.096 -10.193 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.896 -10.329 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.153 -11.024 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.227 -9.586 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.648 -9.631 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.707 -8.239 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.213 -9.412 0.667 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.414 -6.458 4.785 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.554 -6.031 6.171 1.00 0.00 C ATOM 1963 C GLU A 123 -12.367 -4.521 6.296 1.00 0.00 C ATOM 1964 O GLU A 123 -12.930 -3.888 7.191 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.540 -6.759 7.055 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.664 -6.422 8.531 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.008 -6.821 9.109 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -13.135 -7.971 9.579 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -13.936 -5.984 9.090 1.00 0.00 O ATOM 0 H GLU A 123 -11.567 -6.992 4.593 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.561 -6.282 6.504 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.664 -7.834 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.533 -6.511 6.718 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -10.871 -6.927 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.517 -5.351 8.669 1.00 0.00 H new ATOM 1976 N MET A 124 -11.577 -3.949 5.394 1.00 0.00 N ATOM 1977 CA MET A 124 -11.316 -2.516 5.405 1.00 0.00 C ATOM 1978 C MET A 124 -12.581 -1.728 5.082 1.00 0.00 C ATOM 1979 O MET A 124 -12.913 -0.761 5.768 1.00 0.00 O ATOM 1980 CB MET A 124 -10.213 -2.166 4.405 1.00 0.00 C ATOM 1981 CG MET A 124 -9.826 -0.695 4.412 1.00 0.00 C ATOM 1982 SD MET A 124 -8.468 -0.324 3.285 1.00 0.00 S ATOM 1983 CE MET A 124 -9.201 -0.763 1.710 1.00 0.00 C ATOM 0 H MET A 124 -11.106 -4.457 4.645 1.00 0.00 H new ATOM 0 HA MET A 124 -10.986 -2.243 6.407 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.330 -2.766 4.626 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.542 -2.441 3.403 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.694 -0.095 4.138 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.543 -0.403 5.423 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.641 -0.290 0.904 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.173 -1.845 1.585 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.236 -0.421 1.682 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.284 -2.144 4.033 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.513 -1.468 3.624 1.00 0.00 C ATOM 1995 C PHE A 125 -15.643 -1.720 4.616 1.00 0.00 C ATOM 1996 O PHE A 125 -16.357 -0.793 4.999 1.00 0.00 O ATOM 1997 CB PHE A 125 -14.933 -1.920 2.227 1.00 0.00 C ATOM 1998 CG PHE A 125 -13.949 -1.532 1.164 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.677 -0.198 0.907 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.292 -2.500 0.424 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.765 0.164 -0.065 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.381 -2.146 -0.551 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.116 -0.812 -0.796 1.00 0.00 C ATOM 0 H PHE A 125 -13.026 -2.942 3.452 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.310 -0.397 3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.055 -3.003 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.905 -1.489 1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.185 0.568 1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.494 -3.544 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.560 1.208 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.876 -2.911 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.403 -0.533 -1.558 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.804 -2.975 5.026 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.849 -3.338 5.979 1.00 0.00 C ATOM 2015 C LEU A 126 -16.715 -2.524 7.262 1.00 0.00 C ATOM 2016 O LEU A 126 -17.713 -2.162 7.886 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.794 -4.834 6.298 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.774 -5.707 5.507 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.492 -5.619 4.016 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.700 -7.150 5.982 1.00 0.00 C ATOM 0 H LEU A 126 -15.226 -3.756 4.715 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.813 -3.114 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.782 -5.192 6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -16.989 -4.970 7.362 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.784 -5.336 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.200 -6.247 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.597 -4.585 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.477 -5.962 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.402 -7.758 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.689 -7.530 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -17.956 -7.198 7.040 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.475 -2.242 7.649 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.208 -1.464 8.853 1.00 0.00 C ATOM 2034 C ASP A 127 -15.605 -0.006 8.644 1.00 0.00 C ATOM 2035 O ASP A 127 -16.186 0.625 9.528 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.726 -1.558 9.223 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.386 -0.749 10.460 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.050 0.445 10.313 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.454 -1.309 11.574 1.00 0.00 O ATOM 0 H ASP A 127 -14.639 -2.541 7.146 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.803 -1.873 9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.462 -2.602 9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.122 -1.207 8.386 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.286 0.521 7.466 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.612 1.901 7.128 1.00 0.00 C ATOM 2046 C TYR A 128 -17.122 2.117 7.153 1.00 0.00 C ATOM 2047 O TYR A 128 -17.602 3.171 7.571 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.050 2.252 5.747 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.361 3.662 5.295 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.589 4.734 5.721 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.424 3.918 4.438 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.868 6.024 5.306 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.709 5.203 4.019 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.928 6.253 4.456 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.209 7.534 4.041 1.00 0.00 O ATOM 0 H TYR A 128 -14.801 0.011 6.728 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.158 2.556 7.871 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.969 2.116 5.761 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.450 1.550 5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.757 4.558 6.387 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.038 3.099 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.258 6.847 5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.539 5.385 3.353 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.986 7.521 3.444 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.865 1.109 6.702 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.321 1.182 6.675 1.00 0.00 C ATOM 2067 C ARG A 129 -19.894 1.120 8.088 1.00 0.00 C ATOM 2068 O ARG A 129 -20.886 1.780 8.395 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.895 0.041 5.828 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.411 0.073 5.710 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.935 -1.108 4.909 1.00 0.00 C ATOM 2072 NE ARG A 129 -21.606 -2.384 5.537 1.00 0.00 N ATOM 2073 CZ ARG A 129 -22.248 -3.520 5.284 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.250 -3.541 4.414 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -21.889 -4.638 5.900 1.00 0.00 N ATOM 0 H ARG A 129 -17.481 0.232 6.350 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.605 2.135 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.460 0.087 4.830 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.593 -0.911 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.854 0.063 6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.720 1.003 5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -23.017 -1.024 4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.514 -1.080 3.904 1.00 0.00 H new ATOM 0 HE ARG A 129 -20.839 -2.405 6.209 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.529 -2.684 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.741 -4.414 4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.119 -4.627 6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -22.383 -5.509 5.705 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.259 0.323 8.943 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.705 0.176 10.325 1.00 0.00 C ATOM 2091 C ALA A 130 -19.650 1.511 11.058 1.00 0.00 C ATOM 2092 O ALA A 130 -20.515 1.815 11.881 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.859 -0.862 11.048 1.00 0.00 C ATOM 0 H ALA A 130 -18.436 -0.230 8.704 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.741 -0.164 10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.204 -0.960 12.077 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -18.951 -1.823 10.542 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.815 -0.548 11.044 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.629 2.304 10.752 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.457 3.609 11.374 1.00 0.00 C ATOM 2101 C GLU A 131 -19.631 4.527 11.050 1.00 0.00 C ATOM 2102 O GLU A 131 -19.975 5.411 11.835 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.152 4.242 10.897 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.841 5.571 11.559 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.736 5.462 13.068 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -15.702 4.962 13.556 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -17.691 5.875 13.759 1.00 0.00 O ATOM 0 H GLU A 131 -17.906 2.063 10.074 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.419 3.473 12.455 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.332 3.550 11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.202 4.387 9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.904 5.960 11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.619 6.290 11.304 1.00 0.00 H new