USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 114 THR OG1 : rot -80:sc= 0.686 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 166:sc= -1.61! (180deg=-2.2!) USER MOD Set 2.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 171:sc=-0.00527 (180deg=-0.168) USER MOD Single : A 38 GLN : amide:sc= -0.758 K(o=-0.76,f=-5.2!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 45 MET CE :methyl -111:sc= -0.237 (180deg=-1.86) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc=-0.000426 (180deg=-0.181) USER MOD Single : A 48 TYR OH : rot -7:sc= 0.665 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 110:sc= 0.222 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.8) USER MOD Single : A 71 SER OG : rot 85:sc= 0.629 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= -0.0336 (180deg=-0.212) USER MOD Single : A 76 TYR OH : rot 33:sc= 0.725 USER MOD Single : A 80 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.076) USER MOD Single : A 83 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.82) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -19:sc= 0.464 USER MOD Single : A 95 THR OG1 : rot 74:sc= 0.306 USER MOD Single : A 96 THR OG1 : rot 80:sc= 0.0161 USER MOD Single : A 98 GLN : amide:sc= -1.14! K(o=-1.1!,f=-0.0047) USER MOD Single : A 99 HIS : no HE2:sc= -2.57 K(o=-2.6,f=-4.9!) USER MOD Single : A 100 HIS : no HE2:sc= -0.179 K(o=-0.18,f=-1.3) USER MOD Single : A 101 LYS NZ :NH3+ 164:sc= -0.0722 (180deg=-0.374) USER MOD Single : A 111 MET CE :methyl -174:sc= -1.14 (180deg=-1.43) USER MOD Single : A 116 THR OG1 : rot -25:sc= 0.122! USER MOD Single : A 122 LYS NZ :NH3+ -176:sc= -0.594 (180deg=-0.621) USER MOD Single : A 124 MET CE :methyl 163:sc= -0.0546 (180deg=-0.423) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.359 0.882 5.981 1.00 0.00 N ATOM 243 CA ALA A 19 19.401 2.334 5.851 1.00 0.00 C ATOM 244 C ALA A 19 18.420 2.832 4.796 1.00 0.00 C ATOM 245 O ALA A 19 17.544 3.651 5.084 1.00 0.00 O ATOM 246 CB ALA A 19 20.813 2.789 5.515 1.00 0.00 C ATOM 0 HA ALA A 19 19.104 2.763 6.808 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.833 3.875 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.493 2.482 6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.127 2.337 4.574 1.00 0.00 H new ATOM 252 N GLU A 20 18.571 2.335 3.571 1.00 0.00 N ATOM 253 CA GLU A 20 17.698 2.736 2.476 1.00 0.00 C ATOM 254 C GLU A 20 16.243 2.433 2.813 1.00 0.00 C ATOM 255 O GLU A 20 15.341 3.178 2.430 1.00 0.00 O ATOM 256 CB GLU A 20 18.097 2.026 1.180 1.00 0.00 C ATOM 257 CG GLU A 20 17.262 2.440 -0.022 1.00 0.00 C ATOM 258 CD GLU A 20 17.728 1.787 -1.308 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.308 0.643 -1.581 1.00 0.00 O ATOM 260 OE2 GLU A 20 18.515 2.420 -2.043 1.00 0.00 O ATOM 0 H GLU A 20 19.288 1.656 3.314 1.00 0.00 H new ATOM 0 HA GLU A 20 17.807 3.811 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.147 2.232 0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.005 0.949 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.219 2.178 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.304 3.524 -0.133 1.00 0.00 H new ATOM 267 N PHE A 21 16.023 1.337 3.533 1.00 0.00 N ATOM 268 CA PHE A 21 14.676 0.943 3.927 1.00 0.00 C ATOM 269 C PHE A 21 14.001 2.065 4.712 1.00 0.00 C ATOM 270 O PHE A 21 12.879 2.463 4.399 1.00 0.00 O ATOM 271 CB PHE A 21 14.715 -0.335 4.768 1.00 0.00 C ATOM 272 CG PHE A 21 13.352 -0.879 5.100 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.664 -0.427 6.215 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.760 -1.840 4.297 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.411 -0.923 6.523 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.506 -2.340 4.599 1.00 0.00 C ATOM 277 CZ PHE A 21 10.831 -1.880 5.714 1.00 0.00 C ATOM 0 H PHE A 21 16.759 0.708 3.854 1.00 0.00 H new ATOM 0 HA PHE A 21 14.098 0.749 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.280 -1.097 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.252 -0.134 5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.112 0.322 6.851 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.284 -2.203 3.425 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.886 -0.562 7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.055 -3.089 3.964 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.852 -2.268 5.952 1.00 0.00 H new ATOM 287 N ASP A 22 14.694 2.568 5.731 1.00 0.00 N ATOM 288 CA ASP A 22 14.163 3.648 6.557 1.00 0.00 C ATOM 289 C ASP A 22 13.792 4.850 5.697 1.00 0.00 C ATOM 290 O ASP A 22 12.757 5.482 5.912 1.00 0.00 O ATOM 291 CB ASP A 22 15.182 4.061 7.620 1.00 0.00 C ATOM 292 CG ASP A 22 15.414 2.975 8.653 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.445 2.596 9.344 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.565 2.503 8.769 1.00 0.00 O ATOM 0 H ASP A 22 15.622 2.245 6.004 1.00 0.00 H new ATOM 0 HA ASP A 22 13.264 3.284 7.054 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.128 4.307 7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.835 4.965 8.120 1.00 0.00 H new ATOM 299 N ALA A 23 14.645 5.160 4.725 1.00 0.00 N ATOM 300 CA ALA A 23 14.402 6.280 3.823 1.00 0.00 C ATOM 301 C ALA A 23 13.076 6.109 3.089 1.00 0.00 C ATOM 302 O ALA A 23 12.279 7.045 2.993 1.00 0.00 O ATOM 303 CB ALA A 23 15.545 6.413 2.828 1.00 0.00 C ATOM 0 H ALA A 23 15.510 4.651 4.542 1.00 0.00 H new ATOM 0 HA ALA A 23 14.346 7.192 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.351 7.253 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.477 6.585 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.627 5.497 2.243 1.00 0.00 H new ATOM 309 N VAL A 24 12.846 4.905 2.572 1.00 0.00 N ATOM 310 CA VAL A 24 11.615 4.606 1.851 1.00 0.00 C ATOM 311 C VAL A 24 10.398 4.849 2.737 1.00 0.00 C ATOM 312 O VAL A 24 9.478 5.570 2.354 1.00 0.00 O ATOM 313 CB VAL A 24 11.593 3.148 1.347 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.305 2.861 0.588 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.806 2.865 0.472 1.00 0.00 C ATOM 0 H VAL A 24 13.496 4.122 2.640 1.00 0.00 H new ATOM 0 HA VAL A 24 11.578 5.273 0.990 1.00 0.00 H new ATOM 0 HB VAL A 24 11.634 2.487 2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.310 1.828 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.451 3.019 1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.230 3.531 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.772 1.832 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.799 3.535 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.716 3.025 1.050 1.00 0.00 H new ATOM 325 N VAL A 25 10.410 4.255 3.929 1.00 0.00 N ATOM 326 CA VAL A 25 9.307 4.408 4.873 1.00 0.00 C ATOM 327 C VAL A 25 8.952 5.877 5.062 1.00 0.00 C ATOM 328 O VAL A 25 7.779 6.231 5.189 1.00 0.00 O ATOM 329 CB VAL A 25 9.654 3.794 6.245 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.490 3.947 7.215 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.041 2.332 6.093 1.00 0.00 C ATOM 0 H VAL A 25 11.171 3.664 4.263 1.00 0.00 H new ATOM 0 HA VAL A 25 8.451 3.879 4.453 1.00 0.00 H new ATOM 0 HB VAL A 25 10.508 4.333 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.757 3.507 8.176 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.266 5.005 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.613 3.439 6.814 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.282 1.916 7.071 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.208 1.779 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.910 2.252 5.440 1.00 0.00 H new ATOM 341 N GLY A 26 9.972 6.730 5.075 1.00 0.00 N ATOM 342 CA GLY A 26 9.745 8.153 5.241 1.00 0.00 C ATOM 343 C GLY A 26 8.931 8.741 4.104 1.00 0.00 C ATOM 344 O GLY A 26 7.991 9.502 4.334 1.00 0.00 O ATOM 0 H GLY A 26 10.951 6.461 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.228 8.329 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.704 8.667 5.303 1.00 0.00 H new ATOM 348 N TYR A 27 9.293 8.386 2.873 1.00 0.00 N ATOM 349 CA TYR A 27 8.585 8.882 1.697 1.00 0.00 C ATOM 350 C TYR A 27 7.115 8.472 1.723 1.00 0.00 C ATOM 351 O TYR A 27 6.227 9.308 1.552 1.00 0.00 O ATOM 352 CB TYR A 27 9.248 8.372 0.414 1.00 0.00 C ATOM 353 CG TYR A 27 10.615 8.969 0.150 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.815 10.346 0.184 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.706 8.157 -0.138 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.060 10.893 -0.060 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.954 8.698 -0.383 1.00 0.00 C ATOM 358 CZ TYR A 27 13.126 10.065 -0.343 1.00 0.00 C ATOM 359 OH TYR A 27 14.367 10.607 -0.586 1.00 0.00 O ATOM 0 H TYR A 27 10.070 7.759 2.665 1.00 0.00 H new ATOM 0 HA TYR A 27 8.637 9.971 1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.341 7.287 0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.597 8.592 -0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.983 10.998 0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.576 7.085 -0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.198 11.964 -0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.791 8.052 -0.605 1.00 0.00 H new ATOM 0 HH TYR A 27 15.008 9.888 -0.768 1.00 0.00 H new ATOM 369 N LEU A 28 6.861 7.181 1.935 1.00 0.00 N ATOM 370 CA LEU A 28 5.497 6.667 1.986 1.00 0.00 C ATOM 371 C LEU A 28 4.649 7.447 2.986 1.00 0.00 C ATOM 372 O LEU A 28 3.529 7.849 2.677 1.00 0.00 O ATOM 373 CB LEU A 28 5.498 5.181 2.353 1.00 0.00 C ATOM 374 CG LEU A 28 5.841 4.230 1.204 1.00 0.00 C ATOM 375 CD1 LEU A 28 7.306 4.343 0.824 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.495 2.796 1.576 1.00 0.00 C ATOM 0 H LEU A 28 7.583 6.474 2.074 1.00 0.00 H new ATOM 0 HA LEU A 28 5.059 6.790 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.212 5.022 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.514 4.918 2.741 1.00 0.00 H new ATOM 0 HG LEU A 28 5.244 4.517 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.524 3.657 0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.523 5.364 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.926 4.089 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.746 2.134 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.062 2.502 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.429 2.723 1.789 1.00 0.00 H new ATOM 388 N GLU A 29 5.189 7.659 4.182 1.00 0.00 N ATOM 389 CA GLU A 29 4.479 8.393 5.225 1.00 0.00 C ATOM 390 C GLU A 29 4.058 9.774 4.735 1.00 0.00 C ATOM 391 O GLU A 29 2.956 10.239 5.030 1.00 0.00 O ATOM 392 CB GLU A 29 5.353 8.524 6.472 1.00 0.00 C ATOM 393 CG GLU A 29 5.558 7.212 7.211 1.00 0.00 C ATOM 394 CD GLU A 29 6.423 7.367 8.446 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.663 7.311 8.313 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.860 7.546 9.546 1.00 0.00 O ATOM 0 H GLU A 29 6.117 7.333 4.454 1.00 0.00 H new ATOM 0 HA GLU A 29 3.580 7.831 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.325 8.925 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.898 9.246 7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.588 6.807 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.018 6.488 6.538 1.00 0.00 H new ATOM 403 N ASP A 30 4.941 10.428 3.988 1.00 0.00 N ATOM 404 CA ASP A 30 4.655 11.757 3.458 1.00 0.00 C ATOM 405 C ASP A 30 3.510 11.706 2.453 1.00 0.00 C ATOM 406 O ASP A 30 2.731 12.652 2.335 1.00 0.00 O ATOM 407 CB ASP A 30 5.904 12.349 2.801 1.00 0.00 C ATOM 408 CG ASP A 30 5.682 13.769 2.316 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.245 13.939 1.159 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.946 14.710 3.095 1.00 0.00 O ATOM 0 H ASP A 30 5.859 10.061 3.736 1.00 0.00 H new ATOM 0 HA ASP A 30 4.356 12.396 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.728 12.336 3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.201 11.722 1.960 1.00 0.00 H new ATOM 415 N ILE A 31 3.413 10.593 1.730 1.00 0.00 N ATOM 416 CA ILE A 31 2.365 10.415 0.730 1.00 0.00 C ATOM 417 C ILE A 31 1.027 10.076 1.383 1.00 0.00 C ATOM 418 O ILE A 31 -0.023 10.548 0.949 1.00 0.00 O ATOM 419 CB ILE A 31 2.735 9.305 -0.275 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.062 9.635 -0.964 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.625 9.126 -1.303 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.572 8.532 -1.867 1.00 0.00 C ATOM 0 H ILE A 31 4.049 9.800 1.819 1.00 0.00 H new ATOM 0 HA ILE A 31 2.271 11.361 0.197 1.00 0.00 H new ATOM 0 HB ILE A 31 2.852 8.367 0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.939 10.545 -1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.813 9.845 -0.203 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.902 8.339 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.700 8.851 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.477 10.060 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.515 8.839 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.728 7.626 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.841 8.336 -2.651 1.00 0.00 H new ATOM 434 N ILE A 32 1.072 9.254 2.426 1.00 0.00 N ATOM 435 CA ILE A 32 -0.135 8.851 3.136 1.00 0.00 C ATOM 436 C ILE A 32 -0.801 10.052 3.803 1.00 0.00 C ATOM 437 O ILE A 32 -2.024 10.098 3.944 1.00 0.00 O ATOM 438 CB ILE A 32 0.175 7.778 4.199 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.784 6.540 3.536 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.086 7.408 4.971 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.338 5.532 4.519 1.00 0.00 C ATOM 0 H ILE A 32 1.933 8.854 2.798 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.818 8.428 2.400 1.00 0.00 H new ATOM 0 HB ILE A 32 0.898 8.186 4.905 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.023 6.056 2.923 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.582 6.855 2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.847 6.650 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.481 8.294 5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.833 7.016 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.752 4.683 3.975 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.122 5.998 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.539 5.187 5.176 1.00 0.00 H new ATOM 453 N MET A 33 0.011 11.025 4.203 1.00 0.00 N ATOM 454 CA MET A 33 -0.497 12.227 4.855 1.00 0.00 C ATOM 455 C MET A 33 -0.792 13.324 3.833 1.00 0.00 C ATOM 456 O MET A 33 -1.292 14.393 4.183 1.00 0.00 O ATOM 457 CB MET A 33 0.503 12.732 5.893 1.00 0.00 C ATOM 458 CG MET A 33 1.745 13.333 5.275 1.00 0.00 C ATOM 459 SD MET A 33 2.731 14.274 6.455 1.00 0.00 S ATOM 460 CE MET A 33 3.162 12.996 7.634 1.00 0.00 C ATOM 0 H MET A 33 1.024 11.005 4.087 1.00 0.00 H new ATOM 0 HA MET A 33 -1.429 11.968 5.357 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.019 13.479 6.522 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.791 11.906 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.357 12.536 4.852 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.456 13.984 4.450 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.900 13.383 8.336 1.00 0.00 H new ATOM 0 HE2 MET A 33 2.270 12.688 8.179 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.579 12.139 7.105 1.00 0.00 H new ATOM 470 N ASP A 34 -0.477 13.051 2.571 1.00 0.00 N ATOM 471 CA ASP A 34 -0.708 14.014 1.498 1.00 0.00 C ATOM 472 C ASP A 34 -2.202 14.256 1.300 1.00 0.00 C ATOM 473 O ASP A 34 -2.989 13.312 1.226 1.00 0.00 O ATOM 474 CB ASP A 34 -0.082 13.518 0.195 1.00 0.00 C ATOM 475 CG ASP A 34 -0.175 14.544 -0.917 1.00 0.00 C ATOM 476 OD1 ASP A 34 -1.205 14.563 -1.622 1.00 0.00 O ATOM 477 OD2 ASP A 34 0.782 15.330 -1.080 1.00 0.00 O ATOM 0 H ASP A 34 -0.061 12.171 2.265 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.239 14.956 1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.965 13.269 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.580 12.600 -0.118 1.00 0.00 H new ATOM 482 N ASP A 35 -2.582 15.527 1.205 1.00 0.00 N ATOM 483 CA ASP A 35 -3.982 15.902 1.023 1.00 0.00 C ATOM 484 C ASP A 35 -4.581 15.237 -0.214 1.00 0.00 C ATOM 485 O ASP A 35 -5.654 14.636 -0.146 1.00 0.00 O ATOM 486 CB ASP A 35 -4.115 17.421 0.912 1.00 0.00 C ATOM 487 CG ASP A 35 -5.555 17.865 0.744 1.00 0.00 C ATOM 488 OD1 ASP A 35 -6.028 17.923 -0.412 1.00 0.00 O ATOM 489 OD2 ASP A 35 -6.210 18.154 1.766 1.00 0.00 O ATOM 0 H ASP A 35 -1.938 16.317 1.251 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.534 15.555 1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.696 17.886 1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.528 17.773 0.064 1.00 0.00 H new ATOM 494 N GLU A 36 -3.885 15.351 -1.343 1.00 0.00 N ATOM 495 CA GLU A 36 -4.358 14.761 -2.592 1.00 0.00 C ATOM 496 C GLU A 36 -4.554 13.255 -2.449 1.00 0.00 C ATOM 497 O GLU A 36 -5.418 12.668 -3.100 1.00 0.00 O ATOM 498 CB GLU A 36 -3.377 15.056 -3.729 1.00 0.00 C ATOM 499 CG GLU A 36 -3.848 14.553 -5.084 1.00 0.00 C ATOM 500 CD GLU A 36 -2.855 14.843 -6.192 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.881 15.967 -6.735 1.00 0.00 O ATOM 502 OE2 GLU A 36 -2.050 13.944 -6.518 1.00 0.00 O ATOM 0 H GLU A 36 -2.995 15.844 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.322 15.211 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.214 16.132 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.415 14.600 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.021 13.478 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.804 15.017 -5.327 1.00 0.00 H new ATOM 509 N PHE A 37 -3.748 12.633 -1.591 1.00 0.00 N ATOM 510 CA PHE A 37 -3.839 11.195 -1.367 1.00 0.00 C ATOM 511 C PHE A 37 -5.117 10.844 -0.614 1.00 0.00 C ATOM 512 O PHE A 37 -5.841 9.923 -0.993 1.00 0.00 O ATOM 513 CB PHE A 37 -2.620 10.701 -0.585 1.00 0.00 C ATOM 514 CG PHE A 37 -2.672 9.236 -0.255 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.362 8.286 -1.214 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.028 8.811 1.015 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.409 6.937 -0.914 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.078 7.465 1.321 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.768 6.527 0.355 1.00 0.00 C ATOM 0 H PHE A 37 -3.027 13.102 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.863 10.701 -2.338 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.720 10.903 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.537 11.271 0.340 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.080 8.602 -2.207 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.269 9.540 1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.166 6.206 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.359 7.146 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.806 5.474 0.592 1.00 0.00 H new ATOM 529 N GLN A 38 -5.384 11.584 0.457 1.00 0.00 N ATOM 530 CA GLN A 38 -6.574 11.358 1.268 1.00 0.00 C ATOM 531 C GLN A 38 -7.840 11.488 0.424 1.00 0.00 C ATOM 532 O GLN A 38 -8.806 10.753 0.623 1.00 0.00 O ATOM 533 CB GLN A 38 -6.619 12.355 2.428 1.00 0.00 C ATOM 534 CG GLN A 38 -5.380 12.321 3.312 1.00 0.00 C ATOM 535 CD GLN A 38 -5.304 11.077 4.176 1.00 0.00 C ATOM 536 OE1 GLN A 38 -5.796 10.012 3.801 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.684 11.206 5.342 1.00 0.00 N ATOM 0 H GLN A 38 -4.791 12.347 0.784 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.526 10.345 1.667 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.741 13.361 2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.497 12.148 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.491 12.376 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.373 13.203 3.953 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.291 12.107 5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.601 10.404 5.967 1.00 0.00 H new ATOM 546 N LEU A 39 -7.825 12.426 -0.517 1.00 0.00 N ATOM 547 CA LEU A 39 -8.972 12.654 -1.390 1.00 0.00 C ATOM 548 C LEU A 39 -9.164 11.482 -2.350 1.00 0.00 C ATOM 549 O LEU A 39 -10.288 11.045 -2.590 1.00 0.00 O ATOM 550 CB LEU A 39 -8.787 13.956 -2.175 1.00 0.00 C ATOM 551 CG LEU A 39 -10.075 14.574 -2.732 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.896 16.069 -2.947 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.476 13.898 -4.035 1.00 0.00 C ATOM 0 H LEU A 39 -7.031 13.041 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.864 12.738 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.304 14.687 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.106 13.767 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.871 14.418 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.819 16.493 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.655 16.547 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.085 16.240 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.392 14.351 -4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.680 14.022 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.643 12.836 -3.857 1.00 0.00 H new ATOM 565 N LEU A 40 -8.059 10.979 -2.891 1.00 0.00 N ATOM 566 CA LEU A 40 -8.100 9.860 -3.828 1.00 0.00 C ATOM 567 C LEU A 40 -8.684 8.611 -3.173 1.00 0.00 C ATOM 568 O LEU A 40 -9.596 7.983 -3.712 1.00 0.00 O ATOM 569 CB LEU A 40 -6.689 9.566 -4.358 1.00 0.00 C ATOM 570 CG LEU A 40 -6.561 8.330 -5.258 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.453 8.529 -6.280 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.287 7.083 -4.426 1.00 0.00 C ATOM 0 H LEU A 40 -7.121 11.329 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.747 10.139 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.341 10.436 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.019 9.444 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.506 8.195 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.376 7.643 -6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.681 9.396 -6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.507 8.691 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.200 6.218 -5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.357 7.212 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.108 6.925 -3.726 1.00 0.00 H new ATOM 584 N GLN A 41 -8.153 8.258 -2.008 1.00 0.00 N ATOM 585 CA GLN A 41 -8.603 7.075 -1.282 1.00 0.00 C ATOM 586 C GLN A 41 -10.093 7.140 -0.955 1.00 0.00 C ATOM 587 O GLN A 41 -10.839 6.206 -1.241 1.00 0.00 O ATOM 588 CB GLN A 41 -7.795 6.912 0.007 1.00 0.00 C ATOM 589 CG GLN A 41 -8.181 5.684 0.817 1.00 0.00 C ATOM 590 CD GLN A 41 -7.354 5.534 2.079 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.902 6.521 2.661 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.153 4.294 2.510 1.00 0.00 N ATOM 0 H GLN A 41 -7.407 8.776 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.442 6.212 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.736 6.854 -0.243 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.928 7.801 0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.236 5.746 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.060 4.794 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.546 3.505 1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.605 4.130 3.355 1.00 0.00 H new ATOM 601 N ARG A 42 -10.520 8.246 -0.355 1.00 0.00 N ATOM 602 CA ARG A 42 -11.920 8.420 0.028 1.00 0.00 C ATOM 603 C ARG A 42 -12.841 8.489 -1.189 1.00 0.00 C ATOM 604 O ARG A 42 -13.972 8.004 -1.149 1.00 0.00 O ATOM 605 CB ARG A 42 -12.080 9.688 0.869 1.00 0.00 C ATOM 606 CG ARG A 42 -11.231 9.692 2.130 1.00 0.00 C ATOM 607 CD ARG A 42 -11.754 8.707 3.163 1.00 0.00 C ATOM 608 NE ARG A 42 -13.015 9.150 3.751 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.446 8.764 4.948 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.722 7.930 5.681 1.00 0.00 N ATOM 611 NH2 ARG A 42 -14.602 9.214 5.413 1.00 0.00 N ATOM 0 H ARG A 42 -9.918 9.036 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.209 7.549 0.615 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.817 10.553 0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.128 9.800 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.201 9.441 1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.218 10.695 2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.894 7.732 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.012 8.579 3.951 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.598 9.792 3.213 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.831 7.582 5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.056 7.636 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.162 9.857 4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.932 8.918 6.331 1.00 0.00 H new ATOM 625 N ASN A 43 -12.352 9.090 -2.269 1.00 0.00 N ATOM 626 CA ASN A 43 -13.141 9.235 -3.491 1.00 0.00 C ATOM 627 C ASN A 43 -13.570 7.881 -4.054 1.00 0.00 C ATOM 628 O ASN A 43 -14.744 7.674 -4.364 1.00 0.00 O ATOM 629 CB ASN A 43 -12.338 10.000 -4.544 1.00 0.00 C ATOM 630 CG ASN A 43 -13.111 10.199 -5.832 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.068 9.360 -6.731 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.825 11.317 -5.929 1.00 0.00 N ATOM 0 H ASN A 43 -11.413 9.485 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.042 9.793 -3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.051 10.972 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.416 9.459 -4.757 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.365 11.505 -6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.832 11.986 -5.159 1.00 0.00 H new ATOM 639 N PHE A 44 -12.616 6.964 -4.183 1.00 0.00 N ATOM 640 CA PHE A 44 -12.899 5.638 -4.724 1.00 0.00 C ATOM 641 C PHE A 44 -13.544 4.723 -3.687 1.00 0.00 C ATOM 642 O PHE A 44 -14.485 3.994 -3.999 1.00 0.00 O ATOM 643 CB PHE A 44 -11.616 4.998 -5.258 1.00 0.00 C ATOM 644 CG PHE A 44 -11.166 5.566 -6.573 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.532 6.796 -6.632 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.381 4.869 -7.751 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.121 7.321 -7.842 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.972 5.389 -8.964 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.340 6.616 -9.009 1.00 0.00 C ATOM 0 H PHE A 44 -11.642 7.114 -3.921 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.609 5.766 -5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.821 5.129 -4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.774 3.925 -5.369 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.357 7.351 -5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.874 3.908 -7.721 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.629 8.282 -7.875 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.146 4.837 -9.876 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.017 7.024 -9.956 1.00 0.00 H new ATOM 659 N MET A 45 -13.037 4.760 -2.459 1.00 0.00 N ATOM 660 CA MET A 45 -13.568 3.919 -1.388 1.00 0.00 C ATOM 661 C MET A 45 -15.062 4.160 -1.192 1.00 0.00 C ATOM 662 O MET A 45 -15.788 3.277 -0.733 1.00 0.00 O ATOM 663 CB MET A 45 -12.808 4.177 -0.082 1.00 0.00 C ATOM 664 CG MET A 45 -13.378 5.307 0.759 1.00 0.00 C ATOM 665 SD MET A 45 -14.599 4.735 1.957 1.00 0.00 S ATOM 666 CE MET A 45 -13.582 3.702 3.011 1.00 0.00 C ATOM 0 H MET A 45 -12.262 5.361 -2.180 1.00 0.00 H new ATOM 0 HA MET A 45 -13.429 2.876 -1.674 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.807 3.263 0.511 1.00 0.00 H new ATOM 0 HB3 MET A 45 -11.769 4.404 -0.319 1.00 0.00 H new ATOM 0 HG2 MET A 45 -12.566 5.808 1.285 1.00 0.00 H new ATOM 0 HG3 MET A 45 -13.837 6.047 0.103 1.00 0.00 H new ATOM 0 HE1 MET A 45 -13.861 2.657 2.875 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.533 3.834 2.747 1.00 0.00 H new ATOM 0 HE3 MET A 45 -13.732 3.985 4.053 1.00 0.00 H new ATOM 676 N ASP A 46 -15.514 5.359 -1.542 1.00 0.00 N ATOM 677 CA ASP A 46 -16.923 5.719 -1.409 1.00 0.00 C ATOM 678 C ASP A 46 -17.803 4.812 -2.265 1.00 0.00 C ATOM 679 O ASP A 46 -18.954 4.542 -1.923 1.00 0.00 O ATOM 680 CB ASP A 46 -17.137 7.179 -1.809 1.00 0.00 C ATOM 681 CG ASP A 46 -18.593 7.593 -1.722 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.315 7.440 -2.729 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.012 8.068 -0.645 1.00 0.00 O ATOM 0 H ASP A 46 -14.925 6.100 -1.921 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.207 5.588 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.540 7.822 -1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.779 7.330 -2.827 1.00 0.00 H new ATOM 688 N LYS A 47 -17.253 4.352 -3.383 1.00 0.00 N ATOM 689 CA LYS A 47 -17.982 3.477 -4.296 1.00 0.00 C ATOM 690 C LYS A 47 -17.668 2.013 -4.010 1.00 0.00 C ATOM 691 O LYS A 47 -18.558 1.164 -3.996 1.00 0.00 O ATOM 692 CB LYS A 47 -17.611 3.806 -5.740 1.00 0.00 C ATOM 693 CG LYS A 47 -18.540 3.182 -6.771 1.00 0.00 C ATOM 694 CD LYS A 47 -19.955 3.732 -6.658 1.00 0.00 C ATOM 695 CE LYS A 47 -20.879 3.111 -7.692 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.015 1.640 -7.503 1.00 0.00 N ATOM 0 H LYS A 47 -16.302 4.571 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.049 3.641 -4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.616 4.888 -5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.593 3.467 -5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.154 3.373 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.558 2.100 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.343 3.537 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.937 4.814 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.862 3.578 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.494 3.315 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.810 1.289 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.138 1.169 -7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.193 1.434 -6.499 1.00 0.00 H new ATOM 710 N TYR A 48 -16.390 1.732 -3.795 1.00 0.00 N ATOM 711 CA TYR A 48 -15.933 0.375 -3.513 1.00 0.00 C ATOM 712 C TYR A 48 -16.695 -0.248 -2.344 1.00 0.00 C ATOM 713 O TYR A 48 -17.188 -1.371 -2.447 1.00 0.00 O ATOM 714 CB TYR A 48 -14.433 0.376 -3.208 1.00 0.00 C ATOM 715 CG TYR A 48 -13.549 0.422 -4.438 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.733 1.388 -5.420 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.529 -0.505 -4.614 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.926 1.429 -6.540 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.717 -0.470 -5.732 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.920 0.498 -6.692 1.00 0.00 C ATOM 721 OH TYR A 48 -11.114 0.537 -7.806 1.00 0.00 O ATOM 0 H TYR A 48 -15.646 2.430 -3.810 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.127 -0.227 -4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.203 1.234 -2.576 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.190 -0.517 -2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.520 2.119 -5.305 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.368 -1.266 -3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.082 2.187 -7.293 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.928 -1.197 -5.853 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.457 1.206 -8.434 1.00 0.00 H new ATOM 731 N TYR A 49 -16.794 0.483 -1.237 1.00 0.00 N ATOM 732 CA TYR A 49 -17.485 -0.021 -0.051 1.00 0.00 C ATOM 733 C TYR A 49 -18.956 -0.317 -0.348 1.00 0.00 C ATOM 734 O TYR A 49 -19.610 -1.048 0.396 1.00 0.00 O ATOM 735 CB TYR A 49 -17.350 0.969 1.118 1.00 0.00 C ATOM 736 CG TYR A 49 -18.579 1.815 1.379 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.780 3.011 0.703 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.535 1.419 2.307 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.899 3.788 0.943 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.656 2.190 2.553 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.833 3.372 1.867 1.00 0.00 C ATOM 742 OH TYR A 49 -21.947 4.143 2.107 1.00 0.00 O ATOM 0 H TYR A 49 -16.407 1.421 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.011 -0.959 0.238 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.112 0.410 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.506 1.630 0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.051 3.340 -0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.400 0.493 2.845 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.040 4.716 0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.388 1.868 3.278 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.506 3.708 2.785 1.00 0.00 H new ATOM 752 N LEU A 50 -19.471 0.251 -1.436 1.00 0.00 N ATOM 753 CA LEU A 50 -20.861 0.032 -1.822 1.00 0.00 C ATOM 754 C LEU A 50 -21.017 -1.302 -2.543 1.00 0.00 C ATOM 755 O LEU A 50 -21.977 -2.037 -2.309 1.00 0.00 O ATOM 756 CB LEU A 50 -21.358 1.167 -2.720 1.00 0.00 C ATOM 757 CG LEU A 50 -21.504 2.527 -2.035 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.837 3.606 -3.054 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.575 2.464 -0.955 1.00 0.00 C ATOM 0 H LEU A 50 -18.949 0.863 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.462 0.013 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.669 1.273 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.325 0.882 -3.136 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.554 2.781 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.937 4.566 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.038 3.667 -3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.775 3.359 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.667 3.439 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.529 2.189 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.297 1.719 -0.210 1.00 0.00 H new ATOM 771 N GLU A 51 -20.068 -1.606 -3.423 1.00 0.00 N ATOM 772 CA GLU A 51 -20.096 -2.852 -4.178 1.00 0.00 C ATOM 773 C GLU A 51 -19.831 -4.047 -3.265 1.00 0.00 C ATOM 774 O GLU A 51 -20.434 -5.109 -3.425 1.00 0.00 O ATOM 775 CB GLU A 51 -19.063 -2.815 -5.306 1.00 0.00 C ATOM 776 CG GLU A 51 -19.286 -1.686 -6.302 1.00 0.00 C ATOM 777 CD GLU A 51 -20.637 -1.767 -6.986 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.732 -2.434 -8.037 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.601 -1.161 -6.469 1.00 0.00 O ATOM 0 H GLU A 51 -19.270 -1.006 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.090 -2.963 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.068 -2.714 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.084 -3.766 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.202 -0.730 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.499 -1.712 -7.056 1.00 0.00 H new ATOM 786 N PHE A 52 -18.929 -3.865 -2.304 1.00 0.00 N ATOM 787 CA PHE A 52 -18.586 -4.926 -1.364 1.00 0.00 C ATOM 788 C PHE A 52 -19.620 -5.027 -0.246 1.00 0.00 C ATOM 789 O PHE A 52 -19.440 -4.462 0.833 1.00 0.00 O ATOM 790 CB PHE A 52 -17.197 -4.683 -0.766 1.00 0.00 C ATOM 791 CG PHE A 52 -16.069 -5.015 -1.703 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.813 -4.226 -2.811 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.264 -6.119 -1.471 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.775 -4.529 -3.671 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.225 -6.428 -2.326 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.980 -5.632 -3.428 1.00 0.00 C ATOM 0 H PHE A 52 -18.423 -2.992 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.579 -5.867 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.116 -3.637 -0.471 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.092 -5.279 0.140 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.432 -3.363 -3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.452 -6.745 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.586 -3.905 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.605 -7.291 -2.134 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.168 -5.872 -4.099 1.00 0.00 H new ATOM 806 N GLU A 53 -20.709 -5.743 -0.515 1.00 0.00 N ATOM 807 CA GLU A 53 -21.771 -5.923 0.470 1.00 0.00 C ATOM 808 C GLU A 53 -21.600 -7.245 1.213 1.00 0.00 C ATOM 809 O GLU A 53 -21.070 -8.212 0.664 1.00 0.00 O ATOM 810 CB GLU A 53 -23.144 -5.879 -0.204 1.00 0.00 C ATOM 811 CG GLU A 53 -23.487 -4.524 -0.801 1.00 0.00 C ATOM 812 CD GLU A 53 -24.883 -4.486 -1.394 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.837 -4.181 -0.648 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.021 -4.765 -2.604 1.00 0.00 O ATOM 0 H GLU A 53 -20.879 -6.208 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.705 -5.106 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.177 -6.632 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.907 -6.148 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.403 -3.759 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.760 -4.277 -1.575 1.00 0.00 H new ATOM 821 N ASP A 54 -22.052 -7.281 2.463 1.00 0.00 N ATOM 822 CA ASP A 54 -21.946 -8.484 3.280 1.00 0.00 C ATOM 823 C ASP A 54 -22.927 -9.552 2.806 1.00 0.00 C ATOM 824 O ASP A 54 -24.100 -9.542 3.180 1.00 0.00 O ATOM 825 CB ASP A 54 -22.206 -8.154 4.751 1.00 0.00 C ATOM 826 CG ASP A 54 -21.982 -9.346 5.660 1.00 0.00 C ATOM 827 OD1 ASP A 54 -22.924 -10.147 5.832 1.00 0.00 O ATOM 828 OD2 ASP A 54 -20.863 -9.478 6.201 1.00 0.00 O ATOM 0 H ASP A 54 -22.495 -6.491 2.932 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.933 -8.874 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.552 -7.338 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.231 -7.801 4.865 1.00 0.00 H new ATOM 833 N THR A 55 -22.439 -10.469 1.977 1.00 0.00 N ATOM 834 CA THR A 55 -23.271 -11.546 1.450 1.00 0.00 C ATOM 835 C THR A 55 -22.597 -12.900 1.635 1.00 0.00 C ATOM 836 O THR A 55 -21.475 -12.983 2.135 1.00 0.00 O ATOM 837 CB THR A 55 -23.580 -11.339 -0.043 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.361 -11.263 -0.791 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.394 -10.072 -0.256 1.00 0.00 C ATOM 0 H THR A 55 -21.471 -10.488 1.655 1.00 0.00 H new ATOM 0 HA THR A 55 -24.205 -11.527 2.011 1.00 0.00 H new ATOM 0 HB THR A 55 -24.165 -12.190 -0.392 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.261 -12.071 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.600 -9.946 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.334 -10.148 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.831 -9.212 0.108 1.00 0.00 H new ATOM 847 N GLU A 56 -23.287 -13.960 1.227 1.00 0.00 N ATOM 848 CA GLU A 56 -22.755 -15.314 1.347 1.00 0.00 C ATOM 849 C GLU A 56 -22.254 -15.824 0.001 1.00 0.00 C ATOM 850 O GLU A 56 -21.499 -16.796 -0.064 1.00 0.00 O ATOM 851 CB GLU A 56 -23.827 -16.258 1.894 1.00 0.00 C ATOM 852 CG GLU A 56 -25.067 -16.343 1.022 1.00 0.00 C ATOM 853 CD GLU A 56 -26.104 -17.300 1.574 1.00 0.00 C ATOM 854 OE1 GLU A 56 -26.043 -18.501 1.236 1.00 0.00 O ATOM 855 OE2 GLU A 56 -26.977 -16.850 2.346 1.00 0.00 O ATOM 0 H GLU A 56 -24.216 -13.908 0.810 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.915 -15.286 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.400 -17.255 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -24.117 -15.926 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.508 -15.351 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.781 -16.662 0.020 1.00 0.00 H new ATOM 862 N GLU A 57 -22.679 -15.165 -1.072 1.00 0.00 N ATOM 863 CA GLU A 57 -22.276 -15.552 -2.419 1.00 0.00 C ATOM 864 C GLU A 57 -21.236 -14.586 -2.976 1.00 0.00 C ATOM 865 O GLU A 57 -21.307 -13.379 -2.742 1.00 0.00 O ATOM 866 CB GLU A 57 -23.495 -15.597 -3.342 1.00 0.00 C ATOM 867 CG GLU A 57 -24.540 -16.616 -2.917 1.00 0.00 C ATOM 868 CD GLU A 57 -25.781 -16.573 -3.787 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.802 -17.264 -4.827 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.734 -15.849 -3.428 1.00 0.00 O ATOM 0 H GLU A 57 -23.303 -14.359 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.829 -16.545 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.954 -14.609 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.165 -15.827 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.106 -17.615 -2.958 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.821 -16.433 -1.880 1.00 0.00 H new ATOM 877 N ASN A 58 -20.270 -15.125 -3.714 1.00 0.00 N ATOM 878 CA ASN A 58 -19.213 -14.310 -4.301 1.00 0.00 C ATOM 879 C ASN A 58 -19.520 -13.987 -5.759 1.00 0.00 C ATOM 880 O ASN A 58 -19.872 -14.871 -6.541 1.00 0.00 O ATOM 881 CB ASN A 58 -17.868 -15.031 -4.198 1.00 0.00 C ATOM 882 CG ASN A 58 -17.474 -15.319 -2.763 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.826 -14.572 -1.850 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.740 -16.406 -2.556 1.00 0.00 N ATOM 0 H ASN A 58 -20.198 -16.122 -3.919 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.159 -13.374 -3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.918 -15.968 -4.753 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.096 -14.422 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.445 -16.650 -1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.471 -16.997 -3.343 1.00 0.00 H new ATOM 891 N LYS A 59 -19.381 -12.715 -6.116 1.00 0.00 N ATOM 892 CA LYS A 59 -19.640 -12.270 -7.481 1.00 0.00 C ATOM 893 C LYS A 59 -18.338 -12.095 -8.253 1.00 0.00 C ATOM 894 O LYS A 59 -17.267 -11.952 -7.663 1.00 0.00 O ATOM 895 CB LYS A 59 -20.423 -10.954 -7.469 1.00 0.00 C ATOM 896 CG LYS A 59 -21.857 -11.106 -6.984 1.00 0.00 C ATOM 897 CD LYS A 59 -22.562 -9.762 -6.883 1.00 0.00 C ATOM 898 CE LYS A 59 -22.339 -9.111 -5.527 1.00 0.00 C ATOM 899 NZ LYS A 59 -20.895 -8.875 -5.251 1.00 0.00 N ATOM 0 H LYS A 59 -19.090 -11.973 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.235 -13.035 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.906 -10.238 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.431 -10.536 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.406 -11.754 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.862 -11.594 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.198 -9.100 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.630 -9.898 -7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.875 -8.163 -5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.758 -9.746 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.797 -8.227 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.432 -9.779 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.446 -8.453 -6.089 1.00 0.00 H new ATOM 913 N LEU A 60 -18.437 -12.110 -9.578 1.00 0.00 N ATOM 914 CA LEU A 60 -17.268 -11.953 -10.434 1.00 0.00 C ATOM 915 C LEU A 60 -16.873 -10.483 -10.542 1.00 0.00 C ATOM 916 O LEU A 60 -15.806 -10.154 -11.058 1.00 0.00 O ATOM 917 CB LEU A 60 -17.553 -12.524 -11.825 1.00 0.00 C ATOM 918 CG LEU A 60 -16.368 -12.513 -12.795 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.223 -13.355 -12.255 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.798 -13.015 -14.167 1.00 0.00 C ATOM 0 H LEU A 60 -19.316 -12.229 -10.082 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.438 -12.502 -9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.900 -13.551 -11.713 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.371 -11.958 -12.271 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.018 -11.486 -12.896 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.392 -13.333 -12.960 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.896 -12.953 -11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.559 -14.383 -12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.944 -13.001 -14.844 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.175 -14.034 -14.080 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.584 -12.370 -14.561 1.00 0.00 H new ATOM 932 N ILE A 61 -17.742 -9.607 -10.047 1.00 0.00 N ATOM 933 CA ILE A 61 -17.493 -8.169 -10.090 1.00 0.00 C ATOM 934 C ILE A 61 -16.284 -7.790 -9.235 1.00 0.00 C ATOM 935 O ILE A 61 -15.711 -6.711 -9.394 1.00 0.00 O ATOM 936 CB ILE A 61 -18.728 -7.375 -9.613 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.556 -5.881 -9.904 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.973 -7.604 -8.129 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.563 -5.547 -11.381 1.00 0.00 C ATOM 0 H ILE A 61 -18.626 -9.868 -9.611 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.285 -7.911 -11.129 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.597 -7.734 -10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.356 -5.329 -9.411 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.617 -5.540 -9.467 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.848 -7.036 -7.813 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.145 -8.665 -7.948 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.102 -7.276 -7.562 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.437 -4.472 -11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.746 -6.071 -11.876 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.512 -5.857 -11.820 1.00 0.00 H new ATOM 951 N TYR A 62 -15.895 -8.688 -8.337 1.00 0.00 N ATOM 952 CA TYR A 62 -14.758 -8.445 -7.459 1.00 0.00 C ATOM 953 C TYR A 62 -13.441 -8.488 -8.231 1.00 0.00 C ATOM 954 O TYR A 62 -12.431 -7.948 -7.776 1.00 0.00 O ATOM 955 CB TYR A 62 -14.732 -9.471 -6.322 1.00 0.00 C ATOM 956 CG TYR A 62 -15.893 -9.345 -5.358 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.163 -8.141 -4.719 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.716 -10.430 -5.089 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.222 -8.024 -3.838 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.777 -10.320 -4.209 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.024 -9.116 -3.587 1.00 0.00 C ATOM 962 OH TYR A 62 -19.079 -9.004 -2.709 1.00 0.00 O ATOM 0 H TYR A 62 -16.350 -9.590 -8.198 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.872 -7.447 -7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.734 -10.474 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.799 -9.363 -5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.536 -7.283 -4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.525 -11.375 -5.575 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.420 -7.082 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.409 -11.173 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.544 -9.864 -2.645 1.00 0.00 H new ATOM 972 N THR A 63 -13.454 -9.126 -9.399 1.00 0.00 N ATOM 973 CA THR A 63 -12.249 -9.234 -10.218 1.00 0.00 C ATOM 974 C THR A 63 -11.903 -7.902 -10.895 1.00 0.00 C ATOM 975 O THR A 63 -10.776 -7.424 -10.769 1.00 0.00 O ATOM 976 CB THR A 63 -12.381 -10.340 -11.288 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.688 -11.592 -10.665 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.096 -10.473 -12.092 1.00 0.00 C ATOM 0 H THR A 63 -14.279 -9.573 -9.798 1.00 0.00 H new ATOM 0 HA THR A 63 -11.439 -9.502 -9.539 1.00 0.00 H new ATOM 0 HB THR A 63 -13.189 -10.062 -11.965 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.772 -12.287 -11.351 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.214 -11.258 -12.839 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.879 -9.528 -12.590 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.274 -10.728 -11.424 1.00 0.00 H new ATOM 986 N PRO A 64 -12.857 -7.274 -11.622 1.00 0.00 N ATOM 987 CA PRO A 64 -12.608 -5.993 -12.294 1.00 0.00 C ATOM 988 C PRO A 64 -12.352 -4.861 -11.305 1.00 0.00 C ATOM 989 O PRO A 64 -11.483 -4.018 -11.527 1.00 0.00 O ATOM 990 CB PRO A 64 -13.895 -5.737 -13.083 1.00 0.00 C ATOM 991 CG PRO A 64 -14.936 -6.538 -12.385 1.00 0.00 C ATOM 992 CD PRO A 64 -14.232 -7.755 -11.859 1.00 0.00 C ATOM 0 HA PRO A 64 -11.716 -6.032 -12.920 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.150 -4.677 -13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.789 -6.046 -14.123 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.390 -5.968 -11.574 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.739 -6.815 -13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.694 -8.122 -10.942 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.254 -8.575 -12.577 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.116 -4.844 -10.215 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.963 -3.813 -9.194 1.00 0.00 C ATOM 1002 C ILE A 65 -11.566 -3.861 -8.578 1.00 0.00 C ATOM 1003 O ILE A 65 -10.913 -2.828 -8.412 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.018 -3.961 -8.077 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.425 -3.769 -8.649 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.754 -2.966 -6.955 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.531 -4.050 -7.653 1.00 0.00 C ATOM 0 H ILE A 65 -13.844 -5.530 -10.017 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.109 -2.852 -9.686 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.946 -4.967 -7.663 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.524 -2.745 -9.010 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.550 -4.424 -9.511 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.508 -3.086 -6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.766 -3.147 -6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.799 -1.951 -7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.499 -3.893 -8.130 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.459 -5.082 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.433 -3.377 -6.801 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.113 -5.065 -8.243 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.796 -5.247 -7.646 1.00 0.00 C ATOM 1021 C PHE A 66 -8.701 -4.757 -8.591 1.00 0.00 C ATOM 1022 O PHE A 66 -7.723 -4.148 -8.159 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.569 -6.720 -7.297 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.252 -6.985 -6.624 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.092 -6.746 -5.268 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.175 -7.475 -7.348 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.882 -6.991 -4.647 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -5.964 -7.721 -6.731 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.817 -7.479 -5.379 1.00 0.00 C ATOM 0 H PHE A 66 -11.639 -5.929 -8.375 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.752 -4.656 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.375 -7.058 -6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.627 -7.314 -8.209 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.921 -6.364 -4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.285 -7.666 -8.405 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.769 -6.801 -3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.133 -8.102 -7.305 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.871 -7.671 -4.895 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.876 -5.023 -9.882 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.903 -4.610 -10.887 1.00 0.00 C ATOM 1041 C ASN A 67 -7.801 -3.089 -10.954 1.00 0.00 C ATOM 1042 O ASN A 67 -6.731 -2.540 -11.216 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.284 -5.167 -12.260 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.335 -6.682 -12.276 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.602 -7.347 -11.544 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.206 -7.237 -13.111 1.00 0.00 N ATOM 0 H ASN A 67 -9.683 -5.523 -10.256 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.931 -5.010 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.256 -4.770 -12.553 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.563 -4.823 -13.001 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.287 -8.252 -13.163 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.794 -6.648 -13.700 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.921 -2.414 -10.714 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.957 -0.956 -10.748 1.00 0.00 C ATOM 1055 C GLU A 68 -8.192 -0.364 -9.569 1.00 0.00 C ATOM 1056 O GLU A 68 -7.554 0.680 -9.695 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.405 -0.462 -10.734 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.536 1.050 -10.827 1.00 0.00 C ATOM 1059 CD GLU A 68 -11.980 1.510 -10.838 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.590 1.524 -11.928 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.502 1.855 -9.756 1.00 0.00 O ATOM 0 H GLU A 68 -9.815 -2.853 -10.494 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.477 -0.626 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.943 -0.916 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.887 -0.804 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.019 1.508 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.040 1.399 -11.733 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.262 -1.036 -8.424 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.573 -0.574 -7.221 1.00 0.00 C ATOM 1070 C TYR A 69 -6.060 -0.704 -7.373 1.00 0.00 C ATOM 1071 O TYR A 69 -5.304 0.164 -6.935 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.045 -1.373 -6.003 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.592 -0.793 -4.682 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.342 0.183 -4.040 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.419 -1.225 -4.076 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.934 0.715 -2.831 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.005 -0.699 -2.867 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.767 0.271 -2.249 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.358 0.796 -1.045 1.00 0.00 O ATOM 0 H TYR A 69 -8.788 -1.901 -8.303 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.814 0.479 -7.076 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.134 -1.424 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.677 -2.396 -6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.259 0.532 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.821 -1.984 -4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.527 1.475 -2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.090 -1.045 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.517 0.374 -0.773 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.629 -1.795 -7.996 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.209 -2.049 -8.208 1.00 0.00 C ATOM 1091 C ILE A 70 -3.640 -1.148 -9.303 1.00 0.00 C ATOM 1092 O ILE A 70 -2.457 -0.815 -9.295 1.00 0.00 O ATOM 1093 CB ILE A 70 -3.956 -3.525 -8.583 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.554 -4.455 -7.521 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.465 -3.788 -8.750 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.938 -4.293 -6.146 1.00 0.00 C ATOM 0 H ILE A 70 -6.245 -2.520 -8.364 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.704 -1.827 -7.268 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.446 -3.729 -9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.626 -4.270 -7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.429 -5.488 -7.845 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.307 -4.834 -9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.069 -3.150 -9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.950 -3.568 -7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.414 -4.985 -5.450 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.871 -4.507 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.086 -3.270 -5.799 1.00 0.00 H new ATOM 1108 N SER A 71 -4.484 -0.761 -10.248 1.00 0.00 N ATOM 1109 CA SER A 71 -4.051 0.094 -11.343 1.00 0.00 C ATOM 1110 C SER A 71 -4.109 1.570 -10.957 1.00 0.00 C ATOM 1111 O SER A 71 -3.342 2.383 -11.471 1.00 0.00 O ATOM 1112 CB SER A 71 -4.915 -0.157 -12.579 1.00 0.00 C ATOM 1113 OG SER A 71 -4.763 -1.487 -13.045 1.00 0.00 O ATOM 0 H SER A 71 -5.469 -1.024 -10.279 1.00 0.00 H new ATOM 0 HA SER A 71 -3.014 -0.154 -11.570 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.962 0.030 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.639 0.542 -13.368 1.00 0.00 H new ATOM 0 HG SER A 71 -5.364 -2.079 -12.546 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.035 1.915 -10.068 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.191 3.298 -9.629 1.00 0.00 C ATOM 1121 C LEU A 72 -4.340 3.615 -8.396 1.00 0.00 C ATOM 1122 O LEU A 72 -3.446 4.460 -8.448 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.673 3.592 -9.345 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.021 5.041 -8.968 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.836 5.272 -7.475 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.186 6.033 -9.768 1.00 0.00 C ATOM 0 H LEU A 72 -5.687 1.259 -9.638 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.838 3.941 -10.435 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.251 3.320 -10.228 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.002 2.940 -8.536 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.070 5.205 -9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.088 6.304 -7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.489 4.599 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.798 5.079 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.454 7.050 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.128 5.865 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.378 5.895 -10.832 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.620 2.925 -7.292 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.911 3.159 -6.034 1.00 0.00 C ATOM 1140 C VAL A 73 -2.479 2.628 -6.049 1.00 0.00 C ATOM 1141 O VAL A 73 -1.528 3.394 -5.886 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.663 2.524 -4.848 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.933 2.793 -3.540 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.090 3.043 -4.782 1.00 0.00 C ATOM 0 H VAL A 73 -5.334 2.198 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.870 4.242 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.696 1.446 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.482 2.336 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.931 2.368 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.863 3.868 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.606 2.584 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.078 4.125 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.611 2.793 -5.706 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.328 1.319 -6.234 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.005 0.694 -6.239 1.00 0.00 C ATOM 1156 C GLU A 74 -0.055 1.400 -7.204 1.00 0.00 C ATOM 1157 O GLU A 74 1.074 1.731 -6.843 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.120 -0.789 -6.601 1.00 0.00 C ATOM 1159 CG GLU A 74 0.135 -1.598 -6.308 1.00 0.00 C ATOM 1160 CD GLU A 74 1.213 -1.417 -7.359 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.107 -2.047 -8.433 1.00 0.00 O ATOM 1162 OE2 GLU A 74 2.163 -0.646 -7.110 1.00 0.00 O ATOM 0 H GLU A 74 -3.102 0.671 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.590 0.786 -5.235 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.956 -1.223 -6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.356 -0.876 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.531 -1.306 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.127 -2.654 -6.242 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.518 1.633 -8.428 1.00 0.00 N ATOM 1170 CA LYS A 75 0.301 2.295 -9.438 1.00 0.00 C ATOM 1171 C LYS A 75 0.670 3.713 -9.017 1.00 0.00 C ATOM 1172 O LYS A 75 1.796 4.157 -9.235 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.427 2.322 -10.782 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.527 0.958 -11.449 1.00 0.00 C ATOM 1175 CD LYS A 75 0.838 0.451 -11.889 1.00 0.00 C ATOM 1176 CE LYS A 75 0.745 -0.931 -12.515 1.00 0.00 C ATOM 1177 NZ LYS A 75 -0.151 -0.946 -13.703 1.00 0.00 N ATOM 0 H LYS A 75 -1.453 1.374 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 75 1.223 1.722 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.431 2.719 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.091 3.008 -11.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.975 0.245 -10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.188 1.022 -12.313 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.272 1.148 -12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.509 0.418 -11.031 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.741 -1.264 -12.808 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.377 -1.641 -11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.031 -1.842 -14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.140 -0.854 -13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.091 -0.152 -14.330 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.282 4.426 -8.418 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.040 5.795 -7.972 1.00 0.00 C ATOM 1193 C TYR A 76 1.142 5.856 -7.008 1.00 0.00 C ATOM 1194 O TYR A 76 1.917 6.812 -7.021 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.287 6.373 -7.300 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.109 7.794 -6.808 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.226 8.871 -7.678 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -0.823 8.058 -5.475 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.066 10.169 -7.234 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.662 9.354 -5.022 1.00 0.00 C ATOM 1201 CZ TYR A 76 -0.784 10.406 -5.905 1.00 0.00 C ATOM 1202 OH TYR A 76 -0.623 11.696 -5.458 1.00 0.00 O ATOM 0 H TYR A 76 -1.223 4.080 -8.231 1.00 0.00 H new ATOM 0 HA TYR A 76 0.197 6.393 -8.852 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.117 6.344 -8.007 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.563 5.738 -6.458 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.446 8.690 -8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.725 7.237 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.161 10.994 -7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.442 9.542 -3.981 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.211 12.294 -5.966 1.00 0.00 H new ATOM 1212 N ILE A 77 1.274 4.828 -6.176 1.00 0.00 N ATOM 1213 CA ILE A 77 2.356 4.764 -5.200 1.00 0.00 C ATOM 1214 C ILE A 77 3.701 4.530 -5.881 1.00 0.00 C ATOM 1215 O ILE A 77 4.670 5.246 -5.625 1.00 0.00 O ATOM 1216 CB ILE A 77 2.115 3.643 -4.168 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.786 3.864 -3.441 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.269 3.579 -3.176 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.414 2.737 -2.500 1.00 0.00 C ATOM 0 H ILE A 77 0.644 4.026 -6.158 1.00 0.00 H new ATOM 0 HA ILE A 77 2.375 5.725 -4.687 1.00 0.00 H new ATOM 0 HB ILE A 77 2.062 2.690 -4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.841 4.794 -2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.006 3.986 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.085 2.783 -2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.197 3.376 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.352 4.532 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.539 2.963 -2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.326 1.807 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.187 2.629 -1.739 1.00 0.00 H new ATOM 1231 N GLU A 78 3.751 3.525 -6.746 1.00 0.00 N ATOM 1232 CA GLU A 78 4.978 3.182 -7.458 1.00 0.00 C ATOM 1233 C GLU A 78 5.488 4.357 -8.288 1.00 0.00 C ATOM 1234 O GLU A 78 6.687 4.634 -8.313 1.00 0.00 O ATOM 1235 CB GLU A 78 4.739 1.971 -8.362 1.00 0.00 C ATOM 1236 CG GLU A 78 5.984 1.507 -9.100 1.00 0.00 C ATOM 1237 CD GLU A 78 5.711 0.334 -10.021 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.712 -0.816 -9.534 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.495 0.567 -11.229 1.00 0.00 O ATOM 0 H GLU A 78 2.954 2.931 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 78 5.738 2.937 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.357 1.148 -7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.966 2.218 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.387 2.336 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.748 1.225 -8.375 1.00 0.00 H new ATOM 1246 N GLU A 79 4.573 5.045 -8.964 1.00 0.00 N ATOM 1247 CA GLU A 79 4.936 6.184 -9.803 1.00 0.00 C ATOM 1248 C GLU A 79 5.587 7.295 -8.986 1.00 0.00 C ATOM 1249 O GLU A 79 6.659 7.787 -9.338 1.00 0.00 O ATOM 1250 CB GLU A 79 3.703 6.729 -10.526 1.00 0.00 C ATOM 1251 CG GLU A 79 3.128 5.773 -11.559 1.00 0.00 C ATOM 1252 CD GLU A 79 4.108 5.463 -12.673 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.197 6.266 -13.626 1.00 0.00 O ATOM 1254 OE2 GLU A 79 4.787 4.418 -12.593 1.00 0.00 O ATOM 0 H GLU A 79 3.575 4.834 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 79 5.660 5.832 -10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.933 6.960 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.965 7.666 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.836 4.845 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.223 6.206 -11.986 1.00 0.00 H new ATOM 1261 N GLN A 80 4.936 7.684 -7.895 1.00 0.00 N ATOM 1262 CA GLN A 80 5.448 8.746 -7.032 1.00 0.00 C ATOM 1263 C GLN A 80 6.837 8.408 -6.500 1.00 0.00 C ATOM 1264 O GLN A 80 7.661 9.297 -6.281 1.00 0.00 O ATOM 1265 CB GLN A 80 4.488 8.988 -5.866 1.00 0.00 C ATOM 1266 CG GLN A 80 3.146 9.564 -6.288 1.00 0.00 C ATOM 1267 CD GLN A 80 3.266 10.950 -6.893 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.476 11.333 -7.756 1.00 0.00 O ATOM 1269 NE2 GLN A 80 4.255 11.714 -6.440 1.00 0.00 N ATOM 0 H GLN A 80 4.052 7.280 -7.586 1.00 0.00 H new ATOM 0 HA GLN A 80 5.525 9.654 -7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.321 8.046 -5.343 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.958 9.668 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.680 8.895 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.485 9.606 -5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.888 11.358 -5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.381 12.657 -6.809 1.00 0.00 H new ATOM 1278 N LEU A 81 7.093 7.121 -6.294 1.00 0.00 N ATOM 1279 CA LEU A 81 8.381 6.671 -5.779 1.00 0.00 C ATOM 1280 C LEU A 81 9.451 6.675 -6.868 1.00 0.00 C ATOM 1281 O LEU A 81 10.606 7.015 -6.610 1.00 0.00 O ATOM 1282 CB LEU A 81 8.249 5.270 -5.181 1.00 0.00 C ATOM 1283 CG LEU A 81 7.354 5.172 -3.944 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.158 3.720 -3.541 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.948 5.970 -2.791 1.00 0.00 C ATOM 0 H LEU A 81 6.426 6.371 -6.476 1.00 0.00 H new ATOM 0 HA LEU A 81 8.691 7.368 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.858 4.601 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.244 4.908 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 81 6.380 5.595 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.519 3.670 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.689 3.175 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.125 3.272 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.298 5.889 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.934 5.576 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.037 7.017 -3.081 1.00 0.00 H new ATOM 1297 N LEU A 82 9.064 6.296 -8.082 1.00 0.00 N ATOM 1298 CA LEU A 82 10.001 6.255 -9.203 1.00 0.00 C ATOM 1299 C LEU A 82 10.439 7.658 -9.612 1.00 0.00 C ATOM 1300 O LEU A 82 11.520 7.839 -10.174 1.00 0.00 O ATOM 1301 CB LEU A 82 9.374 5.531 -10.399 1.00 0.00 C ATOM 1302 CG LEU A 82 9.134 4.031 -10.201 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.420 3.443 -11.409 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.448 3.303 -9.957 1.00 0.00 C ATOM 0 H LEU A 82 8.112 6.014 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 82 10.884 5.705 -8.877 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.422 6.007 -10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.021 5.668 -11.266 1.00 0.00 H new ATOM 0 HG LEU A 82 8.501 3.900 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.257 2.377 -11.252 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.460 3.941 -11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.031 3.589 -12.300 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.254 2.239 -9.819 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.107 3.444 -10.814 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.925 3.704 -9.063 1.00 0.00 H new ATOM 1316 N GLN A 83 9.597 8.648 -9.329 1.00 0.00 N ATOM 1317 CA GLN A 83 9.903 10.034 -9.668 1.00 0.00 C ATOM 1318 C GLN A 83 11.185 10.503 -8.983 1.00 0.00 C ATOM 1319 O GLN A 83 11.784 11.499 -9.388 1.00 0.00 O ATOM 1320 CB GLN A 83 8.740 10.945 -9.273 1.00 0.00 C ATOM 1321 CG GLN A 83 7.500 10.748 -10.128 1.00 0.00 C ATOM 1322 CD GLN A 83 7.713 11.168 -11.570 1.00 0.00 C ATOM 1323 OE1 GLN A 83 8.498 12.071 -11.857 1.00 0.00 O ATOM 1324 NE2 GLN A 83 7.011 10.511 -12.488 1.00 0.00 N ATOM 0 H GLN A 83 8.698 8.516 -8.866 1.00 0.00 H new ATOM 0 HA GLN A 83 10.053 10.088 -10.746 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.485 10.763 -8.229 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.061 11.984 -9.346 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.206 9.699 -10.099 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.676 11.322 -9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.371 9.769 -12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.112 10.749 -13.475 1.00 0.00 H new ATOM 1333 N ARG A 84 11.599 9.782 -7.944 1.00 0.00 N ATOM 1334 CA ARG A 84 12.808 10.133 -7.207 1.00 0.00 C ATOM 1335 C ARG A 84 13.815 8.987 -7.218 1.00 0.00 C ATOM 1336 O ARG A 84 15.023 9.208 -7.125 1.00 0.00 O ATOM 1337 CB ARG A 84 12.458 10.503 -5.764 1.00 0.00 C ATOM 1338 CG ARG A 84 11.493 11.672 -5.653 1.00 0.00 C ATOM 1339 CD ARG A 84 11.120 11.951 -4.206 1.00 0.00 C ATOM 1340 NE ARG A 84 10.195 13.076 -4.088 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.802 13.590 -2.926 1.00 0.00 C ATOM 1342 NH1 ARG A 84 10.248 13.081 -1.785 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.962 14.617 -2.906 1.00 0.00 N ATOM 0 H ARG A 84 11.116 8.954 -7.595 1.00 0.00 H new ATOM 0 HA ARG A 84 13.263 10.992 -7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.022 9.634 -5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.375 10.747 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.946 12.562 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.592 11.457 -6.227 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.666 11.061 -3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.023 12.162 -3.633 1.00 0.00 H new ATOM 0 HE ARG A 84 9.830 13.491 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.895 12.292 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.944 13.478 -0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.618 15.012 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.660 15.012 -2.015 1.00 0.00 H new ATOM 1357 N ILE A 85 13.310 7.762 -7.335 1.00 0.00 N ATOM 1358 CA ILE A 85 14.164 6.580 -7.353 1.00 0.00 C ATOM 1359 C ILE A 85 13.878 5.718 -8.585 1.00 0.00 C ATOM 1360 O ILE A 85 12.993 4.863 -8.554 1.00 0.00 O ATOM 1361 CB ILE A 85 13.963 5.726 -6.085 1.00 0.00 C ATOM 1362 CG1 ILE A 85 14.024 6.605 -4.831 1.00 0.00 C ATOM 1363 CG2 ILE A 85 15.012 4.625 -6.019 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.636 5.879 -3.560 1.00 0.00 C ATOM 0 H ILE A 85 12.313 7.563 -7.419 1.00 0.00 H new ATOM 0 HA ILE A 85 15.196 6.930 -7.387 1.00 0.00 H new ATOM 0 HB ILE A 85 12.977 5.263 -6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.035 6.996 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.364 7.462 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.858 4.030 -5.119 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.923 3.985 -6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 85 16.006 5.071 -5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.703 6.564 -2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.614 5.511 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.312 5.039 -3.400 1.00 0.00 H new ATOM 1376 N PRO A 86 14.620 5.932 -9.690 1.00 0.00 N ATOM 1377 CA PRO A 86 14.423 5.167 -10.926 1.00 0.00 C ATOM 1378 C PRO A 86 14.895 3.722 -10.800 1.00 0.00 C ATOM 1379 O PRO A 86 14.747 2.927 -11.728 1.00 0.00 O ATOM 1380 CB PRO A 86 15.272 5.923 -11.949 1.00 0.00 C ATOM 1381 CG PRO A 86 16.337 6.580 -11.144 1.00 0.00 C ATOM 1382 CD PRO A 86 15.706 6.926 -9.823 1.00 0.00 C ATOM 0 HA PRO A 86 13.370 5.095 -11.196 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.697 5.245 -12.690 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.677 6.657 -12.493 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.189 5.914 -11.007 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.709 7.474 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.422 6.851 -9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.320 7.945 -9.817 1.00 0.00 H new ATOM 1390 N GLU A 87 15.462 3.390 -9.647 1.00 0.00 N ATOM 1391 CA GLU A 87 15.957 2.041 -9.394 1.00 0.00 C ATOM 1392 C GLU A 87 15.147 1.359 -8.296 1.00 0.00 C ATOM 1393 O GLU A 87 15.540 0.310 -7.784 1.00 0.00 O ATOM 1394 CB GLU A 87 17.434 2.083 -8.996 1.00 0.00 C ATOM 1395 CG GLU A 87 18.330 2.735 -10.037 1.00 0.00 C ATOM 1396 CD GLU A 87 18.323 1.997 -11.362 1.00 0.00 C ATOM 1397 OE1 GLU A 87 17.442 2.289 -12.199 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.198 1.129 -11.564 1.00 0.00 O ATOM 0 H GLU A 87 15.591 4.038 -8.870 1.00 0.00 H new ATOM 0 HA GLU A 87 15.849 1.465 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.532 2.624 -8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.782 1.066 -8.816 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.005 3.763 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 87 19.350 2.779 -9.656 1.00 0.00 H new ATOM 1405 N PHE A 88 14.014 1.957 -7.942 1.00 0.00 N ATOM 1406 CA PHE A 88 13.152 1.411 -6.899 1.00 0.00 C ATOM 1407 C PHE A 88 12.378 0.194 -7.401 1.00 0.00 C ATOM 1408 O PHE A 88 11.874 0.186 -8.524 1.00 0.00 O ATOM 1409 CB PHE A 88 12.174 2.480 -6.408 1.00 0.00 C ATOM 1410 CG PHE A 88 11.371 2.062 -5.209 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.854 2.275 -3.927 1.00 0.00 C ATOM 1412 CD2 PHE A 88 10.132 1.461 -5.363 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.116 1.895 -2.822 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.390 1.078 -4.262 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.883 1.296 -2.990 1.00 0.00 C ATOM 0 H PHE A 88 13.671 2.821 -8.362 1.00 0.00 H new ATOM 0 HA PHE A 88 13.788 1.095 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.731 3.384 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.492 2.736 -7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.818 2.743 -3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.742 1.290 -6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.503 2.066 -1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.426 0.609 -4.396 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.305 0.998 -2.128 1.00 0.00 H new ATOM 1425 N ASN A 89 12.292 -0.832 -6.557 1.00 0.00 N ATOM 1426 CA ASN A 89 11.573 -2.054 -6.903 1.00 0.00 C ATOM 1427 C ASN A 89 10.424 -2.292 -5.928 1.00 0.00 C ATOM 1428 O ASN A 89 10.630 -2.786 -4.820 1.00 0.00 O ATOM 1429 CB ASN A 89 12.521 -3.256 -6.896 1.00 0.00 C ATOM 1430 CG ASN A 89 13.606 -3.146 -7.950 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.684 -2.611 -7.694 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.324 -3.655 -9.144 1.00 0.00 N ATOM 0 H ASN A 89 12.712 -0.840 -5.628 1.00 0.00 H new ATOM 0 HA ASN A 89 11.164 -1.936 -7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.982 -3.345 -5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.948 -4.168 -7.063 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.015 -3.611 -9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.417 -4.090 -9.312 1.00 0.00 H new ATOM 1439 N MET A 90 9.214 -1.932 -6.347 1.00 0.00 N ATOM 1440 CA MET A 90 8.030 -2.096 -5.509 1.00 0.00 C ATOM 1441 C MET A 90 7.771 -3.567 -5.199 1.00 0.00 C ATOM 1442 O MET A 90 7.284 -3.909 -4.122 1.00 0.00 O ATOM 1443 CB MET A 90 6.806 -1.487 -6.198 1.00 0.00 C ATOM 1444 CG MET A 90 5.965 -0.610 -5.284 1.00 0.00 C ATOM 1445 SD MET A 90 5.320 -1.506 -3.859 1.00 0.00 S ATOM 1446 CE MET A 90 4.478 -0.189 -2.984 1.00 0.00 C ATOM 0 H MET A 90 9.028 -1.524 -7.263 1.00 0.00 H new ATOM 0 HA MET A 90 8.211 -1.576 -4.569 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.137 -0.895 -7.051 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.183 -2.291 -6.590 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.568 0.230 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.134 -0.193 -5.852 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.025 -0.587 -2.076 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.194 0.590 -2.722 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.701 0.233 -3.622 1.00 0.00 H new ATOM 1456 N ALA A 91 8.102 -4.434 -6.151 1.00 0.00 N ATOM 1457 CA ALA A 91 7.900 -5.869 -5.983 1.00 0.00 C ATOM 1458 C ALA A 91 8.768 -6.427 -4.860 1.00 0.00 C ATOM 1459 O ALA A 91 8.262 -7.020 -3.907 1.00 0.00 O ATOM 1460 CB ALA A 91 8.192 -6.596 -7.285 1.00 0.00 C ATOM 0 H ALA A 91 8.511 -4.168 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 91 6.857 -6.030 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.038 -7.666 -7.147 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.523 -6.231 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.225 -6.414 -7.580 1.00 0.00 H new ATOM 1466 N ALA A 92 10.078 -6.235 -4.979 1.00 0.00 N ATOM 1467 CA ALA A 92 11.020 -6.724 -3.978 1.00 0.00 C ATOM 1468 C ALA A 92 10.811 -6.038 -2.630 1.00 0.00 C ATOM 1469 O ALA A 92 11.076 -6.623 -1.578 1.00 0.00 O ATOM 1470 CB ALA A 92 12.447 -6.517 -4.459 1.00 0.00 C ATOM 0 H ALA A 92 10.512 -5.743 -5.760 1.00 0.00 H new ATOM 0 HA ALA A 92 10.839 -7.790 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.142 -6.885 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.600 -7.062 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.624 -5.455 -4.627 1.00 0.00 H new ATOM 1476 N PHE A 93 10.335 -4.797 -2.665 1.00 0.00 N ATOM 1477 CA PHE A 93 10.099 -4.032 -1.445 1.00 0.00 C ATOM 1478 C PHE A 93 8.989 -4.657 -0.603 1.00 0.00 C ATOM 1479 O PHE A 93 9.162 -4.886 0.593 1.00 0.00 O ATOM 1480 CB PHE A 93 9.747 -2.582 -1.788 1.00 0.00 C ATOM 1481 CG PHE A 93 9.480 -1.724 -0.583 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.472 -1.496 0.358 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.237 -1.143 -0.392 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.228 -0.706 1.466 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.987 -0.353 0.713 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.984 -0.134 1.644 1.00 0.00 C ATOM 0 H PHE A 93 10.105 -4.300 -3.525 1.00 0.00 H new ATOM 0 HA PHE A 93 11.017 -4.048 -0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.565 -2.145 -2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.867 -2.573 -2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.447 -1.941 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.453 -1.310 -1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.010 -0.536 2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.013 0.093 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.791 0.483 2.509 1.00 0.00 H new ATOM 1496 N THR A 94 7.851 -4.929 -1.234 1.00 0.00 N ATOM 1497 CA THR A 94 6.715 -5.524 -0.538 1.00 0.00 C ATOM 1498 C THR A 94 7.065 -6.897 0.024 1.00 0.00 C ATOM 1499 O THR A 94 6.689 -7.231 1.146 1.00 0.00 O ATOM 1500 CB THR A 94 5.494 -5.659 -1.466 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.846 -6.403 -2.639 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.971 -4.289 -1.867 1.00 0.00 C ATOM 0 H THR A 94 7.691 -4.747 -2.225 1.00 0.00 H new ATOM 0 HA THR A 94 6.466 -4.853 0.284 1.00 0.00 H new ATOM 0 HB THR A 94 4.710 -6.189 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.820 -6.402 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.108 -4.407 -2.523 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.676 -3.737 -0.975 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.753 -3.740 -2.391 1.00 0.00 H new ATOM 1510 N THR A 95 7.788 -7.688 -0.763 1.00 0.00 N ATOM 1511 CA THR A 95 8.187 -9.026 -0.344 1.00 0.00 C ATOM 1512 C THR A 95 8.939 -8.991 0.983 1.00 0.00 C ATOM 1513 O THR A 95 8.637 -9.759 1.898 1.00 0.00 O ATOM 1514 CB THR A 95 9.071 -9.706 -1.408 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.353 -9.823 -2.643 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.516 -11.086 -0.944 1.00 0.00 C ATOM 0 H THR A 95 8.109 -7.425 -1.695 1.00 0.00 H new ATOM 0 HA THR A 95 7.271 -9.603 -0.219 1.00 0.00 H new ATOM 0 HB THR A 95 9.956 -9.087 -1.559 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.288 -8.942 -3.068 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.138 -11.545 -1.712 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.088 -10.993 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.640 -11.710 -0.766 1.00 0.00 H new ATOM 1524 N THR A 96 9.915 -8.097 1.082 1.00 0.00 N ATOM 1525 CA THR A 96 10.713 -7.963 2.295 1.00 0.00 C ATOM 1526 C THR A 96 9.923 -7.278 3.409 1.00 0.00 C ATOM 1527 O THR A 96 10.153 -7.528 4.591 1.00 0.00 O ATOM 1528 CB THR A 96 12.003 -7.164 2.025 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.759 -7.793 0.984 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.854 -7.063 3.282 1.00 0.00 C ATOM 0 H THR A 96 10.174 -7.452 0.335 1.00 0.00 H new ATOM 0 HA THR A 96 10.975 -8.971 2.615 1.00 0.00 H new ATOM 0 HB THR A 96 11.720 -6.158 1.715 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.383 -7.548 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.758 -6.495 3.064 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.288 -6.559 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.126 -8.063 3.618 1.00 0.00 H new ATOM 1538 N LEU A 97 8.993 -6.416 3.019 1.00 0.00 N ATOM 1539 CA LEU A 97 8.170 -5.684 3.977 1.00 0.00 C ATOM 1540 C LEU A 97 7.282 -6.630 4.784 1.00 0.00 C ATOM 1541 O LEU A 97 7.047 -6.415 5.974 1.00 0.00 O ATOM 1542 CB LEU A 97 7.303 -4.653 3.246 1.00 0.00 C ATOM 1543 CG LEU A 97 7.149 -3.305 3.955 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.338 -2.345 3.098 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.495 -3.482 5.317 1.00 0.00 C ATOM 0 H LEU A 97 8.788 -6.205 2.042 1.00 0.00 H new ATOM 0 HA LEU A 97 8.837 -5.171 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.730 -4.478 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.312 -5.080 3.093 1.00 0.00 H new ATOM 0 HG LEU A 97 8.143 -2.884 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.237 -1.391 3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.846 -2.189 2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.349 -2.766 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.396 -2.511 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.508 -3.927 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.112 -4.135 5.935 1.00 0.00 H new ATOM 1557 N GLN A 98 6.795 -7.679 4.127 1.00 0.00 N ATOM 1558 CA GLN A 98 5.909 -8.648 4.766 1.00 0.00 C ATOM 1559 C GLN A 98 6.472 -9.165 6.088 1.00 0.00 C ATOM 1560 O GLN A 98 5.746 -9.259 7.077 1.00 0.00 O ATOM 1561 CB GLN A 98 5.640 -9.822 3.821 1.00 0.00 C ATOM 1562 CG GLN A 98 4.815 -9.445 2.600 1.00 0.00 C ATOM 1563 CD GLN A 98 4.623 -10.603 1.640 1.00 0.00 C ATOM 1564 OE1 GLN A 98 3.597 -10.699 0.965 1.00 0.00 O ATOM 1565 NE2 GLN A 98 5.613 -11.486 1.567 1.00 0.00 N ATOM 0 H GLN A 98 7.000 -7.880 3.148 1.00 0.00 H new ATOM 0 HA GLN A 98 4.975 -8.132 4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.592 -10.238 3.491 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.122 -10.608 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.840 -9.082 2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.303 -8.623 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.445 -11.368 2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.541 -12.282 0.933 1.00 0.00 H new ATOM 1574 N HIS A 99 7.756 -9.503 6.109 1.00 0.00 N ATOM 1575 CA HIS A 99 8.379 -10.008 7.329 1.00 0.00 C ATOM 1576 C HIS A 99 8.981 -8.866 8.140 1.00 0.00 C ATOM 1577 O HIS A 99 8.992 -8.902 9.372 1.00 0.00 O ATOM 1578 CB HIS A 99 9.456 -11.048 7.001 1.00 0.00 C ATOM 1579 CG HIS A 99 10.584 -10.516 6.170 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.720 -9.950 6.714 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.750 -10.474 4.828 1.00 0.00 C ATOM 1582 CE1 HIS A 99 12.535 -9.584 5.740 1.00 0.00 C ATOM 1583 NE2 HIS A 99 11.970 -9.890 4.587 1.00 0.00 N ATOM 0 H HIS A 99 8.381 -9.438 5.306 1.00 0.00 H new ATOM 0 HA HIS A 99 7.605 -10.489 7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.860 -11.444 7.933 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.993 -11.882 6.475 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.902 -9.833 7.711 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.053 -10.833 4.085 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.499 -9.114 5.866 1.00 0.00 H new ATOM 1592 N HIS A 100 9.455 -7.839 7.444 1.00 0.00 N ATOM 1593 CA HIS A 100 10.063 -6.692 8.108 1.00 0.00 C ATOM 1594 C HIS A 100 9.005 -5.876 8.837 1.00 0.00 C ATOM 1595 O HIS A 100 9.315 -4.888 9.504 1.00 0.00 O ATOM 1596 CB HIS A 100 10.804 -5.816 7.098 1.00 0.00 C ATOM 1597 CG HIS A 100 11.912 -5.018 7.711 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.754 -3.719 8.148 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.201 -5.345 7.968 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.897 -3.282 8.646 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.791 -4.250 8.549 1.00 0.00 N ATOM 0 H HIS A 100 9.431 -7.777 6.426 1.00 0.00 H new ATOM 0 HA HIS A 100 10.782 -7.062 8.839 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.213 -6.448 6.310 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.094 -5.137 6.626 1.00 0.00 H new ATOM 0 HD1 HIS A 100 10.890 -3.180 8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.676 -6.291 7.755 1.00 0.00 H new ATOM 0 HE1 HIS A 100 13.071 -2.300 9.062 1.00 0.00 H new ATOM 1610 N LYS A 101 7.752 -6.295 8.699 1.00 0.00 N ATOM 1611 CA LYS A 101 6.638 -5.621 9.350 1.00 0.00 C ATOM 1612 C LYS A 101 6.791 -5.674 10.867 1.00 0.00 C ATOM 1613 O LYS A 101 6.172 -4.895 11.591 1.00 0.00 O ATOM 1614 CB LYS A 101 5.315 -6.267 8.928 1.00 0.00 C ATOM 1615 CG LYS A 101 4.087 -5.610 9.539 1.00 0.00 C ATOM 1616 CD LYS A 101 2.800 -6.227 9.011 1.00 0.00 C ATOM 1617 CE LYS A 101 2.659 -7.682 9.434 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.708 -7.840 10.914 1.00 0.00 N ATOM 0 H LYS A 101 7.483 -7.103 8.138 1.00 0.00 H new ATOM 0 HA LYS A 101 6.636 -4.576 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.233 -6.229 7.842 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.330 -7.320 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.121 -5.711 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.097 -4.543 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.946 -5.657 9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.784 -6.161 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.716 -8.079 9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.456 -8.270 8.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.344 -8.779 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.691 -7.746 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.123 -7.106 11.361 1.00 0.00 H new ATOM 1632 N ASP A 102 7.625 -6.598 11.342 1.00 0.00 N ATOM 1633 CA ASP A 102 7.857 -6.746 12.774 1.00 0.00 C ATOM 1634 C ASP A 102 8.694 -5.588 13.310 1.00 0.00 C ATOM 1635 O ASP A 102 8.958 -5.501 14.508 1.00 0.00 O ATOM 1636 CB ASP A 102 8.546 -8.082 13.072 1.00 0.00 C ATOM 1637 CG ASP A 102 9.763 -8.324 12.200 1.00 0.00 C ATOM 1638 OD1 ASP A 102 10.482 -7.351 11.897 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.995 -9.491 11.819 1.00 0.00 O ATOM 0 H ASP A 102 8.148 -7.251 10.758 1.00 0.00 H new ATOM 0 HA ASP A 102 6.890 -6.733 13.277 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.845 -8.105 14.120 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.833 -8.894 12.926 1.00 0.00 H new ATOM 1644 N GLU A 103 9.104 -4.699 12.409 1.00 0.00 N ATOM 1645 CA GLU A 103 9.909 -3.541 12.782 1.00 0.00 C ATOM 1646 C GLU A 103 9.168 -2.240 12.485 1.00 0.00 C ATOM 1647 O GLU A 103 8.906 -1.444 13.387 1.00 0.00 O ATOM 1648 CB GLU A 103 11.243 -3.561 12.035 1.00 0.00 C ATOM 1649 CG GLU A 103 12.173 -4.679 12.476 1.00 0.00 C ATOM 1650 CD GLU A 103 12.601 -4.547 13.925 1.00 0.00 C ATOM 1651 OE1 GLU A 103 11.896 -5.084 14.804 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.641 -3.904 14.180 1.00 0.00 O ATOM 0 H GLU A 103 8.891 -4.759 11.413 1.00 0.00 H new ATOM 0 HA GLU A 103 10.097 -3.593 13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.050 -3.661 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.745 -2.604 12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.674 -5.638 12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.058 -4.683 11.839 1.00 0.00 H new ATOM 1659 N VAL A 104 8.834 -2.030 11.214 1.00 0.00 N ATOM 1660 CA VAL A 104 8.128 -0.824 10.796 1.00 0.00 C ATOM 1661 C VAL A 104 6.739 -0.755 11.427 1.00 0.00 C ATOM 1662 O VAL A 104 6.189 -1.772 11.849 1.00 0.00 O ATOM 1663 CB VAL A 104 8.000 -0.754 9.259 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.009 -1.792 8.748 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.598 0.644 8.816 1.00 0.00 C ATOM 0 H VAL A 104 9.042 -2.680 10.456 1.00 0.00 H new ATOM 0 HA VAL A 104 8.716 0.028 11.138 1.00 0.00 H new ATOM 0 HB VAL A 104 8.975 -0.980 8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.937 -1.722 7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.351 -2.789 9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.030 -1.608 9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.513 0.671 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.638 0.905 9.261 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.354 1.360 9.139 1.00 0.00 H new ATOM 1675 N ALA A 105 6.181 0.451 11.488 1.00 0.00 N ATOM 1676 CA ALA A 105 4.859 0.657 12.069 1.00 0.00 C ATOM 1677 C ALA A 105 3.810 -0.196 11.364 1.00 0.00 C ATOM 1678 O ALA A 105 3.427 0.086 10.227 1.00 0.00 O ATOM 1679 CB ALA A 105 4.477 2.128 12.001 1.00 0.00 C ATOM 0 H ALA A 105 6.625 1.301 11.141 1.00 0.00 H new ATOM 0 HA ALA A 105 4.897 0.350 13.114 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.488 2.268 12.438 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.206 2.719 12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.463 2.453 10.961 1.00 0.00 H new ATOM 1685 N GLY A 106 3.348 -1.238 12.047 1.00 0.00 N ATOM 1686 CA GLY A 106 2.346 -2.116 11.474 1.00 0.00 C ATOM 1687 C GLY A 106 1.050 -1.392 11.166 1.00 0.00 C ATOM 1688 O GLY A 106 0.338 -1.752 10.229 1.00 0.00 O ATOM 0 H GLY A 106 3.650 -1.490 12.988 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.737 -2.560 10.559 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.146 -2.935 12.165 1.00 0.00 H new ATOM 1692 N ASP A 107 0.747 -0.367 11.957 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.472 0.412 11.773 1.00 0.00 C ATOM 1694 C ASP A 107 -0.472 1.133 10.425 1.00 0.00 C ATOM 1695 O ASP A 107 -1.517 1.271 9.789 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.627 1.428 12.905 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.749 0.768 14.264 1.00 0.00 C ATOM 1698 OD1 ASP A 107 0.297 0.430 14.857 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.892 0.590 14.737 1.00 0.00 O ATOM 0 H ASP A 107 1.331 -0.056 12.733 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.315 -0.279 11.790 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.232 2.099 12.906 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.510 2.040 12.721 1.00 0.00 H new ATOM 1704 N ILE A 108 0.701 1.591 9.996 1.00 0.00 N ATOM 1705 CA ILE A 108 0.820 2.302 8.726 1.00 0.00 C ATOM 1706 C ILE A 108 0.712 1.346 7.541 1.00 0.00 C ATOM 1707 O ILE A 108 -0.066 1.578 6.614 1.00 0.00 O ATOM 1708 CB ILE A 108 2.156 3.070 8.633 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.223 4.165 9.699 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.342 3.662 7.241 1.00 0.00 C ATOM 1711 CD1 ILE A 108 1.203 5.262 9.504 1.00 0.00 C ATOM 0 H ILE A 108 1.578 1.484 10.506 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.005 3.014 8.688 1.00 0.00 H new ATOM 0 HB ILE A 108 2.968 2.366 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.076 3.714 10.681 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.221 4.603 9.695 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.290 4.199 7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.345 2.861 6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.525 4.351 7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.309 6.003 10.296 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.362 5.739 8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.200 4.836 9.538 1.00 0.00 H new ATOM 1723 N PHE A 109 1.483 0.265 7.581 1.00 0.00 N ATOM 1724 CA PHE A 109 1.471 -0.713 6.500 1.00 0.00 C ATOM 1725 C PHE A 109 0.127 -1.423 6.408 1.00 0.00 C ATOM 1726 O PHE A 109 -0.282 -1.841 5.328 1.00 0.00 O ATOM 1727 CB PHE A 109 2.592 -1.742 6.669 1.00 0.00 C ATOM 1728 CG PHE A 109 2.645 -2.744 5.546 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.696 -2.322 4.225 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.632 -4.105 5.810 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.734 -3.238 3.190 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.669 -5.025 4.779 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.721 -4.591 3.467 1.00 0.00 C ATOM 0 H PHE A 109 2.121 0.045 8.346 1.00 0.00 H new ATOM 0 HA PHE A 109 1.638 -0.165 5.572 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.548 -1.223 6.731 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.454 -2.269 7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.706 -1.265 4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.593 -4.450 6.833 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.774 -2.896 2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.657 -6.082 4.998 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.751 -5.309 2.661 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.558 -1.552 7.543 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.856 -2.223 7.580 1.00 0.00 C ATOM 1745 C ASP A 110 -2.772 -1.697 6.481 1.00 0.00 C ATOM 1746 O ASP A 110 -3.637 -2.417 5.984 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.513 -2.037 8.948 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.893 -2.662 9.017 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.978 -3.891 9.230 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.888 -1.924 8.860 1.00 0.00 O ATOM 0 H ASP A 110 -0.237 -1.202 8.446 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.692 -3.287 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.878 -2.479 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.588 -0.973 9.170 1.00 0.00 H new ATOM 1755 N MET A 111 -2.579 -0.435 6.106 1.00 0.00 N ATOM 1756 CA MET A 111 -3.375 0.174 5.049 1.00 0.00 C ATOM 1757 C MET A 111 -2.953 -0.390 3.695 1.00 0.00 C ATOM 1758 O MET A 111 -3.784 -0.848 2.909 1.00 0.00 O ATOM 1759 CB MET A 111 -3.210 1.698 5.071 1.00 0.00 C ATOM 1760 CG MET A 111 -3.935 2.416 3.944 1.00 0.00 C ATOM 1761 SD MET A 111 -2.941 2.542 2.443 1.00 0.00 S ATOM 1762 CE MET A 111 -1.582 3.556 3.019 1.00 0.00 C ATOM 0 H MET A 111 -1.880 0.183 6.518 1.00 0.00 H new ATOM 0 HA MET A 111 -4.427 -0.059 5.215 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.575 2.079 6.025 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.148 1.939 5.017 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.861 1.887 3.718 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.213 3.416 4.276 1.00 0.00 H new ATOM 0 HE1 MET A 111 -0.937 3.811 2.178 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.974 4.470 3.466 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.007 3.005 3.763 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.648 -0.363 3.445 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.085 -0.870 2.199 1.00 0.00 C ATOM 1774 C LEU A 112 -1.279 -2.379 2.093 1.00 0.00 C ATOM 1775 O LEU A 112 -1.283 -2.941 1.000 1.00 0.00 O ATOM 1776 CB LEU A 112 0.406 -0.531 2.122 1.00 0.00 C ATOM 1777 CG LEU A 112 0.732 0.962 2.074 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.231 1.183 2.199 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.208 1.581 0.786 1.00 0.00 C ATOM 0 H LEU A 112 -0.955 0.008 4.095 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.606 -0.395 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.907 -0.968 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.825 -1.007 1.236 1.00 0.00 H new ATOM 0 HG LEU A 112 0.240 1.450 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.446 2.251 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.581 0.774 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.742 0.682 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.449 2.644 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.673 1.090 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -0.873 1.453 0.735 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.448 -3.021 3.243 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.633 -4.465 3.312 1.00 0.00 C ATOM 1793 C LEU A 113 -2.729 -4.927 2.354 1.00 0.00 C ATOM 1794 O LEU A 113 -2.718 -6.067 1.886 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.971 -4.879 4.746 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.971 -6.385 5.011 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.592 -6.977 4.757 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.418 -6.669 6.436 1.00 0.00 C ATOM 0 H LEU A 113 -1.461 -2.557 4.151 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.702 -4.944 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.255 -4.409 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.955 -4.483 4.998 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.675 -6.855 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.615 -8.049 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.307 -6.803 3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.134 -6.504 5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.413 -7.745 6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.736 -6.185 7.135 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.426 -6.281 6.585 1.00 0.00 H new ATOM 1810 N THR A 114 -3.676 -4.037 2.071 1.00 0.00 N ATOM 1811 CA THR A 114 -4.780 -4.353 1.170 1.00 0.00 C ATOM 1812 C THR A 114 -4.297 -4.633 -0.256 1.00 0.00 C ATOM 1813 O THR A 114 -5.108 -4.793 -1.169 1.00 0.00 O ATOM 1814 CB THR A 114 -5.812 -3.211 1.130 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.200 -2.012 0.638 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.394 -2.957 2.513 1.00 0.00 C ATOM 0 H THR A 114 -3.701 -3.091 2.453 1.00 0.00 H new ATOM 0 HA THR A 114 -5.247 -5.255 1.565 1.00 0.00 H new ATOM 0 HB THR A 114 -6.620 -3.507 0.461 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.695 -1.583 1.360 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.120 -2.146 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.886 -3.861 2.873 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.593 -2.682 3.200 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.979 -4.691 -0.448 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.409 -4.959 -1.767 1.00 0.00 C ATOM 1826 C PHE A 115 -2.770 -6.364 -2.245 1.00 0.00 C ATOM 1827 O PHE A 115 -2.981 -6.587 -3.437 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.882 -4.812 -1.742 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.388 -3.394 -1.868 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.010 -2.494 -2.721 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.711 -2.966 -1.136 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.549 -1.197 -2.839 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.176 -1.670 -1.252 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.545 -0.785 -2.103 1.00 0.00 C ATOM 0 H PHE A 115 -2.289 -4.556 0.291 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.830 -4.228 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.504 -5.233 -0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.459 -5.404 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.865 -2.811 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.208 -3.654 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.043 -0.506 -3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.032 -1.350 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.906 0.229 -2.193 1.00 0.00 H new ATOM 1844 N THR A 116 -2.841 -7.308 -1.310 1.00 0.00 N ATOM 1845 CA THR A 116 -3.168 -8.690 -1.644 1.00 0.00 C ATOM 1846 C THR A 116 -4.042 -9.334 -0.573 1.00 0.00 C ATOM 1847 O THR A 116 -4.686 -10.354 -0.820 1.00 0.00 O ATOM 1848 CB THR A 116 -1.895 -9.539 -1.830 1.00 0.00 C ATOM 1849 OG1 THR A 116 -2.250 -10.903 -2.090 1.00 0.00 O ATOM 1850 CG2 THR A 116 -1.009 -9.468 -0.596 1.00 0.00 C ATOM 0 H THR A 116 -2.677 -7.141 -0.317 1.00 0.00 H new ATOM 0 HA THR A 116 -3.721 -8.660 -2.583 1.00 0.00 H new ATOM 0 HB THR A 116 -1.340 -9.139 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 116 -3.134 -11.089 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.118 -10.075 -0.753 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.716 -8.433 -0.417 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.557 -9.844 0.268 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.062 -8.738 0.616 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.863 -9.265 1.715 1.00 0.00 C ATOM 1860 C ASP A 117 -6.341 -8.952 1.511 1.00 0.00 C ATOM 1861 O ASP A 117 -6.848 -7.942 2.004 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.381 -8.696 3.050 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.981 -9.159 3.402 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.027 -8.736 2.718 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.841 -9.949 4.360 1.00 0.00 O ATOM 0 H ASP A 117 -3.535 -7.894 0.842 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.742 -10.348 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.401 -7.607 3.006 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.070 -8.996 3.840 1.00 0.00 H new ATOM 1870 N PHE A 118 -7.025 -9.827 0.779 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.446 -9.654 0.498 1.00 0.00 C ATOM 1872 C PHE A 118 -9.253 -9.538 1.788 1.00 0.00 C ATOM 1873 O PHE A 118 -10.295 -8.883 1.820 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.961 -10.832 -0.336 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.417 -10.727 -0.698 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.818 -9.989 -1.801 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.383 -11.368 0.061 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -12.154 -9.892 -2.139 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.720 -11.275 -0.272 1.00 0.00 C ATOM 1880 CZ PHE A 118 -13.107 -10.536 -1.374 1.00 0.00 C ATOM 0 H PHE A 118 -6.616 -10.666 0.368 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.571 -8.729 -0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.373 -10.902 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.800 -11.756 0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -10.077 -9.484 -2.403 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.087 -11.947 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.453 -9.313 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.463 -11.779 0.328 1.00 0.00 H new ATOM 0 HZ PHE A 118 -14.152 -10.462 -1.636 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.762 -10.172 2.848 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.443 -10.143 4.136 1.00 0.00 C ATOM 1892 C LEU A 119 -9.467 -8.732 4.718 1.00 0.00 C ATOM 1893 O LEU A 119 -10.486 -8.291 5.249 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.765 -11.098 5.120 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.505 -11.288 6.446 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.830 -12.000 6.218 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.644 -12.065 7.430 1.00 0.00 C ATOM 0 H LEU A 119 -7.896 -10.711 2.840 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.472 -10.465 3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.652 -12.071 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.762 -10.728 5.330 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.710 -10.305 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.343 -12.127 7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.451 -11.406 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.646 -12.977 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.186 -12.191 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.408 -13.044 7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.720 -11.518 7.616 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.344 -8.028 4.612 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.246 -6.670 5.135 1.00 0.00 C ATOM 1911 C ALA A 120 -8.991 -5.687 4.241 1.00 0.00 C ATOM 1912 O ALA A 120 -9.454 -4.641 4.696 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.788 -6.258 5.275 1.00 0.00 C ATOM 0 H ALA A 120 -7.492 -8.374 4.170 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.710 -6.653 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.733 -5.242 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.282 -6.939 5.960 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.303 -6.298 4.299 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.102 -6.034 2.963 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.791 -5.194 1.993 1.00 0.00 C ATOM 1921 C PHE A 121 -11.286 -5.138 2.299 1.00 0.00 C ATOM 1922 O PHE A 121 -11.865 -4.058 2.459 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.559 -5.747 0.583 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.730 -4.735 -0.517 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.095 -3.505 -0.456 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.521 -5.022 -1.618 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.245 -2.581 -1.473 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.674 -4.102 -2.638 1.00 0.00 C ATOM 1929 CZ PHE A 121 -10.035 -2.880 -2.566 1.00 0.00 C ATOM 0 H PHE A 121 -8.721 -6.897 2.574 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.392 -4.181 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.551 -6.158 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.250 -6.573 0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.476 -3.266 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -11.024 -5.976 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.745 -1.626 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.293 -4.339 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.153 -2.160 -3.362 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.902 -6.312 2.393 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.326 -6.409 2.683 1.00 0.00 C ATOM 1941 C LYS A 122 -13.632 -5.864 4.074 1.00 0.00 C ATOM 1942 O LYS A 122 -14.602 -5.131 4.264 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.789 -7.862 2.577 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.289 -8.036 2.745 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.701 -9.490 2.587 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.206 -9.657 2.711 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.703 -9.232 4.049 1.00 0.00 N ATOM 0 H LYS A 122 -11.435 -7.211 2.272 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.866 -5.809 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.492 -8.259 1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.276 -8.454 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.590 -7.676 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.812 -7.426 2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.371 -9.860 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.203 -10.095 3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.701 -9.071 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.471 -10.700 2.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.723 -9.424 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.200 -9.761 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.534 -8.214 4.175 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.795 -6.226 5.043 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.976 -5.772 6.415 1.00 0.00 C ATOM 1963 C GLU A 123 -12.900 -4.251 6.495 1.00 0.00 C ATOM 1964 O GLU A 123 -13.557 -3.630 7.332 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.918 -6.396 7.328 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.044 -5.976 8.785 1.00 0.00 C ATOM 1967 CD GLU A 123 -10.964 -6.576 9.662 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.180 -7.684 10.196 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -9.901 -5.939 9.816 1.00 0.00 O ATOM 0 H GLU A 123 -11.986 -6.832 4.902 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.964 -6.089 6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.990 -7.482 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.928 -6.121 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.997 -4.889 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.021 -6.277 9.162 1.00 0.00 H new ATOM 1976 N MET A 124 -12.097 -3.657 5.618 1.00 0.00 N ATOM 1977 CA MET A 124 -11.939 -2.208 5.588 1.00 0.00 C ATOM 1978 C MET A 124 -13.246 -1.529 5.197 1.00 0.00 C ATOM 1979 O MET A 124 -13.677 -0.573 5.843 1.00 0.00 O ATOM 1980 CB MET A 124 -10.832 -1.811 4.611 1.00 0.00 C ATOM 1981 CG MET A 124 -10.570 -0.313 4.561 1.00 0.00 C ATOM 1982 SD MET A 124 -9.246 0.125 3.417 1.00 0.00 S ATOM 1983 CE MET A 124 -9.982 -0.330 1.848 1.00 0.00 C ATOM 0 H MET A 124 -11.546 -4.156 4.920 1.00 0.00 H new ATOM 0 HA MET A 124 -11.662 -1.878 6.589 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.911 -2.323 4.891 1.00 0.00 H new ATOM 0 HB3 MET A 124 -11.099 -2.158 3.613 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.484 0.202 4.266 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.313 0.040 5.560 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.432 0.146 1.036 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.942 -1.413 1.728 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.021 -0.001 1.824 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.873 -2.028 4.134 1.00 0.00 N ATOM 1994 CA PHE A 125 -15.133 -1.463 3.660 1.00 0.00 C ATOM 1995 C PHE A 125 -16.241 -1.641 4.692 1.00 0.00 C ATOM 1996 O PHE A 125 -16.954 -0.690 5.017 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.543 -2.107 2.335 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.540 -1.900 1.237 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.099 -0.625 0.915 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -14.037 -2.978 0.528 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.176 -0.431 -0.094 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -13.112 -2.790 -0.481 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.682 -1.515 -0.792 1.00 0.00 C ATOM 0 H PHE A 125 -13.531 -2.818 3.587 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.981 -0.395 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.687 -3.176 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.503 -1.697 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.482 0.226 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.371 -3.977 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.841 0.567 -0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.726 -3.639 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.960 -1.366 -1.581 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.384 -2.860 5.205 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.409 -3.155 6.202 1.00 0.00 C ATOM 2015 C LEU A 126 -17.247 -2.267 7.431 1.00 0.00 C ATOM 2016 O LEU A 126 -18.222 -1.952 8.113 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.355 -4.628 6.609 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.189 -5.575 5.741 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.661 -5.609 4.314 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.200 -6.973 6.340 1.00 0.00 C ATOM 0 H LEU A 126 -15.804 -3.658 4.947 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.381 -2.949 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.316 -4.958 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.692 -4.716 7.642 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.212 -5.201 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.269 -6.288 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.707 -4.608 3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.627 -5.955 4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.797 -7.634 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.180 -7.352 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.631 -6.937 7.340 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.010 -1.869 7.708 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.722 -1.013 8.852 1.00 0.00 C ATOM 2034 C ASP A 127 -16.273 0.390 8.623 1.00 0.00 C ATOM 2035 O ASP A 127 -16.901 0.976 9.507 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.213 -0.951 9.100 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.854 -0.073 10.283 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.885 -0.575 11.427 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.541 1.117 10.067 1.00 0.00 O ATOM 0 H ASP A 127 -15.191 -2.126 7.156 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.207 -1.438 9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.835 -1.959 9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.717 -0.572 8.207 1.00 0.00 H new ATOM 2044 N TYR A 128 -16.037 0.921 7.427 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.511 2.254 7.071 1.00 0.00 C ATOM 2046 C TYR A 128 -18.033 2.321 7.142 1.00 0.00 C ATOM 2047 O TYR A 128 -18.599 3.331 7.559 1.00 0.00 O ATOM 2048 CB TYR A 128 -16.031 2.630 5.669 1.00 0.00 C ATOM 2049 CG TYR A 128 -16.402 4.036 5.254 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -15.880 5.137 5.920 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -17.275 4.262 4.197 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -16.216 6.424 5.544 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -17.616 5.546 3.815 1.00 0.00 C ATOM 2054 CZ TYR A 128 -17.083 6.623 4.492 1.00 0.00 C ATOM 2055 OH TYR A 128 -17.419 7.903 4.115 1.00 0.00 O ATOM 0 H TYR A 128 -15.519 0.447 6.687 1.00 0.00 H new ATOM 0 HA TYR A 128 -16.101 2.967 7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.947 2.522 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -16.451 1.926 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -15.200 4.985 6.745 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -17.694 3.421 3.665 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -15.801 7.270 6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -18.296 5.705 2.991 1.00 0.00 H new ATOM 0 HH TYR A 128 -18.039 7.869 3.357 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.688 1.239 6.729 1.00 0.00 N ATOM 2066 CA ARG A 129 -20.144 1.174 6.754 1.00 0.00 C ATOM 2067 C ARG A 129 -20.650 1.147 8.192 1.00 0.00 C ATOM 2068 O ARG A 129 -21.702 1.706 8.503 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.641 -0.064 6.002 1.00 0.00 C ATOM 2070 CG ARG A 129 -22.157 -0.168 5.939 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.601 -1.460 5.271 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.129 -2.639 5.995 1.00 0.00 N ATOM 2073 CZ ARG A 129 -22.419 -3.887 5.641 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.182 -4.120 4.581 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -21.946 -4.904 6.348 1.00 0.00 N ATOM 0 H ARG A 129 -18.234 0.398 6.374 1.00 0.00 H new ATOM 0 HA ARG A 129 -20.534 2.063 6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -20.244 -0.047 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.243 -0.957 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.568 -0.119 6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -22.558 0.683 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -23.689 -1.482 5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -22.225 -1.488 4.248 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.544 -2.496 6.818 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.548 -3.340 4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.403 -5.079 4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -21.359 -4.729 7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -22.169 -5.862 6.076 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.891 0.490 9.064 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.253 0.393 10.472 1.00 0.00 C ATOM 2091 C ALA A 130 -20.268 1.770 11.123 1.00 0.00 C ATOM 2092 O ALA A 130 -21.089 2.044 11.999 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.289 -0.529 11.203 1.00 0.00 C ATOM 0 H ALA A 130 -19.021 0.017 8.819 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.257 -0.026 10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.572 -0.592 12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.327 -1.523 10.757 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.276 -0.134 11.123 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.353 2.631 10.691 1.00 0.00 N ATOM 2100 CA GLU A 131 -19.265 3.986 11.224 1.00 0.00 C ATOM 2101 C GLU A 131 -20.521 4.779 10.878 1.00 0.00 C ATOM 2102 O GLU A 131 -20.907 5.698 11.601 1.00 0.00 O ATOM 2103 CB GLU A 131 -18.029 4.698 10.670 1.00 0.00 C ATOM 2104 CG GLU A 131 -17.854 6.115 11.192 1.00 0.00 C ATOM 2105 CD GLU A 131 -16.702 6.843 10.528 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -16.934 7.497 9.489 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.570 6.758 11.046 1.00 0.00 O ATOM 0 H GLU A 131 -18.662 2.415 9.973 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.178 3.922 12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.142 4.116 10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -18.094 4.727 9.582 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -18.775 6.675 11.029 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.687 6.084 12.269 1.00 0.00 H new