USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 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 126:sc= 0.765 USER MOD Set 1.2: A 114 THR OG1 : rot -84:sc= 1.3 USER MOD Set 2.1: A 98 GLN :FLIP amide:sc= -0.414 F(o=-1.6!,f=-0.68) USER MOD Set 2.2: A 99 HIS : no HD1:sc= -0.266 K(o=-0.68,f=-1.6) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -124:sc= 0.135 (180deg=-0.383) USER MOD Set 3.2: A 62 TYR OH : rot 30:sc= 0.0898 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.724 X(o=-0.72,f=-0.79) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0.0012) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.157 F(o=-2.8!,f=-0.16) USER MOD Single : A 45 MET CE :methyl 158:sc= -0.144 (180deg=-0.789) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0523 (180deg=-0.316) USER MOD Single : A 48 TYR OH : rot -141:sc= 0.0522 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.336 K(o=0.34,f=-5.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 71 SER OG : rot -15:sc= 0.131 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.19) USER MOD Single : A 83 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.075) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 178:sc= 0 (180deg=-0.00688) USER MOD Single : A 94 THR OG1 : rot -84:sc= 0.253 USER MOD Single : A 95 THR OG1 : rot 77:sc= 0.474 USER MOD Single : A 96 THR OG1 : rot 83:sc= 0.721 USER MOD Single : A 100 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 149:sc= -0.233 (180deg=-0.995) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 172:sc= 0.192 (180deg=0.0502) USER MOD Single : A 124 MET CE :methyl 158:sc= -0.234 (180deg=-0.884) USER MOD Single : A 128 TYR OH : rot 180:sc= -0.252 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.268 2.051 6.920 1.00 0.00 N ATOM 243 CA ALA A 19 19.234 3.428 6.438 1.00 0.00 C ATOM 244 C ALA A 19 18.338 3.571 5.212 1.00 0.00 C ATOM 245 O ALA A 19 17.446 4.419 5.179 1.00 0.00 O ATOM 246 CB ALA A 19 20.642 3.909 6.120 1.00 0.00 C ATOM 0 HA ALA A 19 18.815 4.048 7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.603 4.938 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.255 3.862 7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.079 3.273 5.350 1.00 0.00 H new ATOM 252 N GLU A 20 18.581 2.738 4.206 1.00 0.00 N ATOM 253 CA GLU A 20 17.801 2.779 2.974 1.00 0.00 C ATOM 254 C GLU A 20 16.334 2.448 3.240 1.00 0.00 C ATOM 255 O GLU A 20 15.439 3.171 2.801 1.00 0.00 O ATOM 256 CB GLU A 20 18.391 1.812 1.946 1.00 0.00 C ATOM 257 CG GLU A 20 17.751 1.914 0.570 1.00 0.00 C ATOM 258 CD GLU A 20 17.922 3.285 -0.056 1.00 0.00 C ATOM 259 OE1 GLU A 20 19.024 3.567 -0.575 1.00 0.00 O ATOM 260 OE2 GLU A 20 16.958 4.077 -0.024 1.00 0.00 O ATOM 0 H GLU A 20 19.312 2.026 4.219 1.00 0.00 H new ATOM 0 HA GLU A 20 17.847 3.792 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.460 2.002 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.279 0.792 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.189 1.162 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.688 1.686 0.651 1.00 0.00 H new ATOM 267 N PHE A 21 16.089 1.353 3.956 1.00 0.00 N ATOM 268 CA PHE A 21 14.725 0.941 4.283 1.00 0.00 C ATOM 269 C PHE A 21 13.968 2.064 4.988 1.00 0.00 C ATOM 270 O PHE A 21 12.872 2.441 4.575 1.00 0.00 O ATOM 271 CB PHE A 21 14.744 -0.309 5.169 1.00 0.00 C ATOM 272 CG PHE A 21 13.375 -0.832 5.514 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.724 -1.715 4.669 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.743 -0.444 6.687 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.467 -2.200 4.982 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.487 -0.926 7.006 1.00 0.00 C ATOM 277 CZ PHE A 21 10.848 -1.805 6.153 1.00 0.00 C ATOM 0 H PHE A 21 16.815 0.736 4.320 1.00 0.00 H new ATOM 0 HA PHE A 21 14.211 0.711 3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.305 -1.094 4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.278 -0.081 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.204 -2.029 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.238 0.242 7.358 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.970 -2.886 4.312 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.006 -0.615 7.922 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.867 -2.183 6.401 1.00 0.00 H new ATOM 287 N ASP A 22 14.565 2.596 6.052 1.00 0.00 N ATOM 288 CA ASP A 22 13.948 3.671 6.824 1.00 0.00 C ATOM 289 C ASP A 22 13.620 4.869 5.939 1.00 0.00 C ATOM 290 O ASP A 22 12.627 5.563 6.162 1.00 0.00 O ATOM 291 CB ASP A 22 14.875 4.106 7.962 1.00 0.00 C ATOM 292 CG ASP A 22 14.253 5.175 8.839 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.352 6.368 8.483 1.00 0.00 O ATOM 294 OD2 ASP A 22 13.668 4.818 9.883 1.00 0.00 O ATOM 0 H ASP A 22 15.477 2.299 6.399 1.00 0.00 H new ATOM 0 HA ASP A 22 13.017 3.289 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.126 3.239 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.808 4.482 7.543 1.00 0.00 H new ATOM 299 N ALA A 23 14.459 5.109 4.938 1.00 0.00 N ATOM 300 CA ALA A 23 14.254 6.223 4.020 1.00 0.00 C ATOM 301 C ALA A 23 12.950 6.059 3.248 1.00 0.00 C ATOM 302 O ALA A 23 12.154 6.994 3.152 1.00 0.00 O ATOM 303 CB ALA A 23 15.428 6.342 3.060 1.00 0.00 C ATOM 0 H ALA A 23 15.287 4.547 4.741 1.00 0.00 H new ATOM 0 HA ALA A 23 14.188 7.139 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.260 7.178 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.344 6.512 3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.522 5.421 2.485 1.00 0.00 H new ATOM 309 N VAL A 24 12.737 4.865 2.703 1.00 0.00 N ATOM 310 CA VAL A 24 11.531 4.580 1.936 1.00 0.00 C ATOM 311 C VAL A 24 10.281 4.742 2.794 1.00 0.00 C ATOM 312 O VAL A 24 9.293 5.335 2.360 1.00 0.00 O ATOM 313 CB VAL A 24 11.557 3.155 1.351 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.376 2.941 0.419 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.871 2.897 0.627 1.00 0.00 C ATOM 0 H VAL A 24 13.384 4.080 2.779 1.00 0.00 H new ATOM 0 HA VAL A 24 11.503 5.299 1.117 1.00 0.00 H new ATOM 0 HB VAL A 24 11.477 2.443 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.410 1.929 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.447 3.080 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.423 3.660 -0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.870 1.885 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.986 3.614 -0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.700 3.006 1.327 1.00 0.00 H new ATOM 325 N VAL A 25 10.331 4.215 4.015 1.00 0.00 N ATOM 326 CA VAL A 25 9.199 4.303 4.931 1.00 0.00 C ATOM 327 C VAL A 25 8.792 5.756 5.158 1.00 0.00 C ATOM 328 O VAL A 25 7.606 6.071 5.245 1.00 0.00 O ATOM 329 CB VAL A 25 9.518 3.653 6.292 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.306 3.708 7.212 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.983 2.218 6.101 1.00 0.00 C ATOM 0 H VAL A 25 11.142 3.724 4.392 1.00 0.00 H new ATOM 0 HA VAL A 25 8.375 3.762 4.466 1.00 0.00 H new ATOM 0 HB VAL A 25 10.325 4.216 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.553 3.244 8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.021 4.747 7.376 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.476 3.172 6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.204 1.775 7.072 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.198 1.643 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.881 2.206 5.484 1.00 0.00 H new ATOM 341 N GLY A 26 9.786 6.635 5.252 1.00 0.00 N ATOM 342 CA GLY A 26 9.513 8.045 5.463 1.00 0.00 C ATOM 343 C GLY A 26 8.750 8.658 4.307 1.00 0.00 C ATOM 344 O GLY A 26 7.758 9.362 4.510 1.00 0.00 O ATOM 0 H GLY A 26 10.775 6.396 5.186 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.939 8.169 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.453 8.579 5.600 1.00 0.00 H new ATOM 348 N TYR A 27 9.212 8.388 3.089 1.00 0.00 N ATOM 349 CA TYR A 27 8.563 8.915 1.894 1.00 0.00 C ATOM 350 C TYR A 27 7.128 8.413 1.800 1.00 0.00 C ATOM 351 O TYR A 27 6.235 9.133 1.352 1.00 0.00 O ATOM 352 CB TYR A 27 9.341 8.514 0.637 1.00 0.00 C ATOM 353 CG TYR A 27 10.793 8.942 0.654 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.152 10.251 0.954 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.805 8.034 0.367 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.478 10.642 0.969 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.132 8.417 0.380 1.00 0.00 C ATOM 358 CZ TYR A 27 13.464 9.721 0.682 1.00 0.00 C ATOM 359 OH TYR A 27 14.785 10.106 0.696 1.00 0.00 O ATOM 0 H TYR A 27 10.031 7.809 2.905 1.00 0.00 H new ATOM 0 HA TYR A 27 8.551 10.003 1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.293 7.431 0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.854 8.950 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.382 10.974 1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.550 7.012 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.740 11.663 1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.906 7.698 0.155 1.00 0.00 H new ATOM 0 HH TYR A 27 15.352 9.338 0.473 1.00 0.00 H new ATOM 369 N LEU A 28 6.912 7.172 2.229 1.00 0.00 N ATOM 370 CA LEU A 28 5.584 6.571 2.200 1.00 0.00 C ATOM 371 C LEU A 28 4.606 7.378 3.047 1.00 0.00 C ATOM 372 O LEU A 28 3.505 7.698 2.601 1.00 0.00 O ATOM 373 CB LEU A 28 5.640 5.125 2.702 1.00 0.00 C ATOM 374 CG LEU A 28 6.401 4.149 1.800 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.531 2.790 2.470 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.705 4.011 0.452 1.00 0.00 C ATOM 0 H LEU A 28 7.641 6.564 2.601 1.00 0.00 H new ATOM 0 HA LEU A 28 5.234 6.574 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.102 5.118 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.620 4.761 2.825 1.00 0.00 H new ATOM 0 HG LEU A 28 7.401 4.549 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.075 2.111 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.073 2.898 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.538 2.386 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.261 3.313 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.692 3.637 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.663 4.984 -0.037 1.00 0.00 H new ATOM 388 N GLU A 29 5.018 7.707 4.268 1.00 0.00 N ATOM 389 CA GLU A 29 4.177 8.478 5.179 1.00 0.00 C ATOM 390 C GLU A 29 3.822 9.835 4.578 1.00 0.00 C ATOM 391 O GLU A 29 2.709 10.329 4.754 1.00 0.00 O ATOM 392 CB GLU A 29 4.885 8.678 6.521 1.00 0.00 C ATOM 393 CG GLU A 29 5.259 7.379 7.215 1.00 0.00 C ATOM 394 CD GLU A 29 6.013 7.608 8.509 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.257 7.704 8.462 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.358 7.692 9.570 1.00 0.00 O ATOM 0 H GLU A 29 5.929 7.452 4.650 1.00 0.00 H new ATOM 0 HA GLU A 29 3.257 7.916 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.788 9.267 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.239 9.258 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.354 6.808 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.870 6.775 6.544 1.00 0.00 H new ATOM 403 N ASP A 30 4.777 10.431 3.870 1.00 0.00 N ATOM 404 CA ASP A 30 4.565 11.733 3.247 1.00 0.00 C ATOM 405 C ASP A 30 3.488 11.659 2.170 1.00 0.00 C ATOM 406 O ASP A 30 2.693 12.586 2.008 1.00 0.00 O ATOM 407 CB ASP A 30 5.869 12.255 2.641 1.00 0.00 C ATOM 408 CG ASP A 30 5.687 13.584 1.936 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.821 14.633 2.602 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.405 13.578 0.720 1.00 0.00 O ATOM 0 H ASP A 30 5.703 10.034 3.714 1.00 0.00 H new ATOM 0 HA ASP A 30 4.230 12.422 4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.615 12.364 3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.257 11.522 1.934 1.00 0.00 H new ATOM 415 N ILE A 31 3.466 10.552 1.434 1.00 0.00 N ATOM 416 CA ILE A 31 2.487 10.360 0.371 1.00 0.00 C ATOM 417 C ILE A 31 1.099 10.083 0.945 1.00 0.00 C ATOM 418 O ILE A 31 0.093 10.552 0.413 1.00 0.00 O ATOM 419 CB ILE A 31 2.892 9.200 -0.563 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.278 9.459 -1.158 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.861 9.021 -1.669 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.850 8.273 -1.907 1.00 0.00 C ATOM 0 H ILE A 31 4.115 9.775 1.555 1.00 0.00 H new ATOM 0 HA ILE A 31 2.458 11.284 -0.206 1.00 0.00 H new ATOM 0 HB ILE A 31 2.931 8.280 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.220 10.311 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.962 9.735 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.163 8.199 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.890 8.798 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.792 9.938 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.833 8.531 -2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.941 7.424 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.187 8.009 -2.731 1.00 0.00 H new ATOM 434 N ILE A 32 1.054 9.320 2.033 1.00 0.00 N ATOM 435 CA ILE A 32 -0.211 8.983 2.678 1.00 0.00 C ATOM 436 C ILE A 32 -0.876 10.225 3.264 1.00 0.00 C ATOM 437 O ILE A 32 -2.103 10.332 3.288 1.00 0.00 O ATOM 438 CB ILE A 32 -0.010 7.943 3.800 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.618 6.666 3.238 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.337 7.630 4.482 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.091 5.701 4.303 1.00 0.00 C ATOM 0 H ILE A 32 1.878 8.924 2.486 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.856 8.557 1.909 1.00 0.00 H new ATOM 0 HB ILE A 32 0.668 8.363 4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.110 6.163 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.462 6.936 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.176 6.895 5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.748 8.542 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.037 7.229 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.524 4.820 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.844 6.186 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.246 5.401 4.923 1.00 0.00 H new ATOM 453 N MET A 33 -0.057 11.161 3.732 1.00 0.00 N ATOM 454 CA MET A 33 -0.565 12.395 4.324 1.00 0.00 C ATOM 455 C MET A 33 -0.725 13.487 3.271 1.00 0.00 C ATOM 456 O MET A 33 -1.137 14.605 3.582 1.00 0.00 O ATOM 457 CB MET A 33 0.375 12.875 5.431 1.00 0.00 C ATOM 458 CG MET A 33 0.480 11.910 6.599 1.00 0.00 C ATOM 459 SD MET A 33 1.623 12.482 7.871 1.00 0.00 S ATOM 460 CE MET A 33 1.533 11.129 9.041 1.00 0.00 C ATOM 0 H MET A 33 0.960 11.090 3.713 1.00 0.00 H new ATOM 0 HA MET A 33 -1.546 12.184 4.750 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.368 13.033 5.010 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.027 13.841 5.798 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.507 11.770 7.039 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.807 10.937 6.233 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.188 11.336 9.887 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.507 11.021 9.394 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.849 10.206 8.555 1.00 0.00 H new ATOM 470 N ASP A 34 -0.398 13.159 2.025 1.00 0.00 N ATOM 471 CA ASP A 34 -0.506 14.115 0.929 1.00 0.00 C ATOM 472 C ASP A 34 -1.968 14.466 0.661 1.00 0.00 C ATOM 473 O ASP A 34 -2.846 13.606 0.737 1.00 0.00 O ATOM 474 CB ASP A 34 0.140 13.547 -0.336 1.00 0.00 C ATOM 475 CG ASP A 34 0.328 14.596 -1.413 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.363 15.295 -1.387 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.558 14.719 -2.283 1.00 0.00 O ATOM 0 H ASP A 34 -0.056 12.238 1.749 1.00 0.00 H new ATOM 0 HA ASP A 34 0.021 15.025 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.108 13.114 -0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.479 12.739 -0.725 1.00 0.00 H new ATOM 482 N ASP A 35 -2.221 15.734 0.349 1.00 0.00 N ATOM 483 CA ASP A 35 -3.576 16.204 0.076 1.00 0.00 C ATOM 484 C ASP A 35 -4.213 15.423 -1.071 1.00 0.00 C ATOM 485 O ASP A 35 -5.408 15.128 -1.043 1.00 0.00 O ATOM 486 CB ASP A 35 -3.565 17.698 -0.254 1.00 0.00 C ATOM 487 CG ASP A 35 -2.697 18.022 -1.456 1.00 0.00 C ATOM 488 OD1 ASP A 35 -1.490 18.278 -1.264 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.225 18.019 -2.588 1.00 0.00 O ATOM 0 H ASP A 35 -1.504 16.456 0.279 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.172 16.039 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.585 18.032 -0.446 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.205 18.255 0.611 1.00 0.00 H new ATOM 494 N GLU A 36 -3.407 15.091 -2.075 1.00 0.00 N ATOM 495 CA GLU A 36 -3.894 14.349 -3.233 1.00 0.00 C ATOM 496 C GLU A 36 -4.338 12.944 -2.840 1.00 0.00 C ATOM 497 O GLU A 36 -5.267 12.390 -3.428 1.00 0.00 O ATOM 498 CB GLU A 36 -2.808 14.266 -4.308 1.00 0.00 C ATOM 499 CG GLU A 36 -2.397 15.619 -4.866 1.00 0.00 C ATOM 500 CD GLU A 36 -3.532 16.318 -5.589 1.00 0.00 C ATOM 501 OE1 GLU A 36 -4.310 17.031 -4.922 1.00 0.00 O ATOM 502 OE2 GLU A 36 -3.644 16.151 -6.821 1.00 0.00 O ATOM 0 H GLU A 36 -2.415 15.324 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.756 14.884 -3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.931 13.774 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.165 13.639 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.044 16.252 -4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.560 15.487 -5.552 1.00 0.00 H new ATOM 509 N PHE A 37 -3.669 12.371 -1.844 1.00 0.00 N ATOM 510 CA PHE A 37 -3.999 11.027 -1.380 1.00 0.00 C ATOM 511 C PHE A 37 -5.285 11.035 -0.561 1.00 0.00 C ATOM 512 O PHE A 37 -6.116 10.137 -0.691 1.00 0.00 O ATOM 513 CB PHE A 37 -2.851 10.452 -0.548 1.00 0.00 C ATOM 514 CG PHE A 37 -3.044 9.008 -0.177 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.735 8.001 -1.077 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.536 8.660 1.071 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.912 6.672 -0.739 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.715 7.333 1.414 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.403 6.338 0.508 1.00 0.00 C ATOM 0 H PHE A 37 -2.898 12.814 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.152 10.396 -2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.921 10.554 -1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.742 11.041 0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.352 8.257 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.782 9.434 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.667 5.896 -1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.099 7.074 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.543 5.301 0.774 1.00 0.00 H new ATOM 529 N GLN A 38 -5.441 12.051 0.281 1.00 0.00 N ATOM 530 CA GLN A 38 -6.626 12.175 1.122 1.00 0.00 C ATOM 531 C GLN A 38 -7.891 12.278 0.275 1.00 0.00 C ATOM 532 O GLN A 38 -8.893 11.620 0.557 1.00 0.00 O ATOM 533 CB GLN A 38 -6.502 13.403 2.026 1.00 0.00 C ATOM 534 CG GLN A 38 -5.294 13.360 2.946 1.00 0.00 C ATOM 535 CD GLN A 38 -5.378 12.245 3.970 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.466 11.836 4.376 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.222 11.749 4.397 1.00 0.00 N ATOM 0 H GLN A 38 -4.761 12.802 0.399 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.700 11.279 1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.444 14.297 1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.405 13.492 2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.392 13.232 2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.201 14.316 3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.343 12.118 4.033 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.213 10.999 5.088 1.00 0.00 H new ATOM 546 N LEU A 39 -7.836 13.106 -0.763 1.00 0.00 N ATOM 547 CA LEU A 39 -8.977 13.298 -1.651 1.00 0.00 C ATOM 548 C LEU A 39 -9.244 12.043 -2.477 1.00 0.00 C ATOM 549 O LEU A 39 -10.379 11.571 -2.558 1.00 0.00 O ATOM 550 CB LEU A 39 -8.735 14.500 -2.569 1.00 0.00 C ATOM 551 CG LEU A 39 -9.891 14.852 -3.511 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.944 16.353 -3.746 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.747 14.115 -4.834 1.00 0.00 C ATOM 0 H LEU A 39 -7.013 13.655 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.858 13.493 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.516 15.370 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.847 14.304 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.824 14.539 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.770 16.587 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.092 16.865 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.007 16.684 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.577 14.378 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.807 14.398 -5.308 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.753 13.040 -4.654 1.00 0.00 H new ATOM 565 N LEU A 40 -8.194 11.506 -3.089 1.00 0.00 N ATOM 566 CA LEU A 40 -8.316 10.308 -3.912 1.00 0.00 C ATOM 567 C LEU A 40 -8.764 9.111 -3.076 1.00 0.00 C ATOM 568 O LEU A 40 -9.359 8.168 -3.596 1.00 0.00 O ATOM 569 CB LEU A 40 -6.984 10.002 -4.605 1.00 0.00 C ATOM 570 CG LEU A 40 -6.965 8.729 -5.457 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.124 8.938 -6.707 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.431 7.556 -4.648 1.00 0.00 C ATOM 0 H LEU A 40 -7.248 11.882 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.075 10.495 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.721 10.848 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.208 9.921 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.987 8.503 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.121 8.024 -7.301 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.545 9.752 -7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.102 9.188 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.424 6.660 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.416 7.775 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.070 7.392 -3.780 1.00 0.00 H new ATOM 584 N GLN A 41 -8.480 9.159 -1.777 1.00 0.00 N ATOM 585 CA GLN A 41 -8.853 8.077 -0.872 1.00 0.00 C ATOM 586 C GLN A 41 -10.361 8.056 -0.637 1.00 0.00 C ATOM 587 O GLN A 41 -11.002 7.013 -0.754 1.00 0.00 O ATOM 588 CB GLN A 41 -8.121 8.224 0.464 1.00 0.00 C ATOM 589 CG GLN A 41 -8.415 7.105 1.451 1.00 0.00 C ATOM 590 CD GLN A 41 -7.734 7.316 2.789 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.605 6.873 3.001 1.00 0.00 O ATOM 592 NE2 GLN A 41 -8.420 7.995 3.701 1.00 0.00 N ATOM 0 H GLN A 41 -7.993 9.935 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.562 7.135 -1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.048 8.259 0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.397 9.177 0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.492 7.033 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.088 6.156 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.353 8.344 3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.014 8.168 4.621 1.00 0.00 H new ATOM 601 N ARG A 42 -10.919 9.216 -0.305 1.00 0.00 N ATOM 602 CA ARG A 42 -12.351 9.332 -0.049 1.00 0.00 C ATOM 603 C ARG A 42 -13.158 9.076 -1.320 1.00 0.00 C ATOM 604 O ARG A 42 -14.251 8.509 -1.269 1.00 0.00 O ATOM 605 CB ARG A 42 -12.675 10.720 0.507 1.00 0.00 C ATOM 606 CG ARG A 42 -11.897 11.071 1.765 1.00 0.00 C ATOM 607 CD ARG A 42 -12.303 10.196 2.942 1.00 0.00 C ATOM 608 NE ARG A 42 -13.701 10.392 3.316 1.00 0.00 N ATOM 609 CZ ARG A 42 -14.203 10.048 4.500 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.425 9.494 5.420 1.00 0.00 N ATOM 611 NH2 ARG A 42 -15.485 10.256 4.763 1.00 0.00 N ATOM 0 H ARG A 42 -10.401 10.089 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.627 8.577 0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.466 11.467 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.742 10.775 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.830 10.955 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.064 12.118 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.140 9.149 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.665 10.420 3.797 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.328 10.816 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.438 9.330 5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.814 9.232 6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.088 10.680 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.869 9.992 5.670 1.00 0.00 H new ATOM 625 N ASN A 43 -12.611 9.493 -2.458 1.00 0.00 N ATOM 626 CA ASN A 43 -13.281 9.316 -3.743 1.00 0.00 C ATOM 627 C ASN A 43 -13.286 7.849 -4.167 1.00 0.00 C ATOM 628 O ASN A 43 -14.275 7.353 -4.707 1.00 0.00 O ATOM 629 CB ASN A 43 -12.597 10.165 -4.818 1.00 0.00 C ATOM 630 CG ASN A 43 -12.844 11.653 -4.643 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.035 12.088 -3.402 1.00 0.00 O flip ATOM 632 ND2 ASN A 43 -12.862 12.407 -5.617 1.00 0.00 N flip ATOM 0 H ASN A 43 -11.704 9.957 -2.517 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.315 9.642 -3.629 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.524 9.975 -4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.955 9.856 -5.800 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.711 12.033 -6.554 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.028 13.405 -5.486 1.00 0.00 H new ATOM 639 N PHE A 44 -12.175 7.161 -3.922 1.00 0.00 N ATOM 640 CA PHE A 44 -12.047 5.754 -4.286 1.00 0.00 C ATOM 641 C PHE A 44 -12.906 4.870 -3.379 1.00 0.00 C ATOM 642 O PHE A 44 -13.650 4.015 -3.861 1.00 0.00 O ATOM 643 CB PHE A 44 -10.568 5.338 -4.235 1.00 0.00 C ATOM 644 CG PHE A 44 -10.312 3.993 -3.613 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.413 2.834 -4.364 1.00 0.00 C ATOM 646 CD2 PHE A 44 -9.962 3.892 -2.276 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.170 1.600 -3.793 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.719 2.660 -1.699 1.00 0.00 C ATOM 649 CZ PHE A 44 -9.824 1.513 -2.459 1.00 0.00 C ATOM 0 H PHE A 44 -11.349 7.556 -3.472 1.00 0.00 H new ATOM 0 HA PHE A 44 -12.411 5.619 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.171 5.335 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.012 6.092 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.685 2.896 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.878 4.787 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -10.251 0.703 -4.390 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.448 2.595 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.636 0.548 -2.011 1.00 0.00 H new ATOM 659 N MET A 45 -12.801 5.081 -2.071 1.00 0.00 N ATOM 660 CA MET A 45 -13.571 4.299 -1.109 1.00 0.00 C ATOM 661 C MET A 45 -15.066 4.559 -1.266 1.00 0.00 C ATOM 662 O MET A 45 -15.890 3.712 -0.929 1.00 0.00 O ATOM 663 CB MET A 45 -13.135 4.625 0.322 1.00 0.00 C ATOM 664 CG MET A 45 -11.699 4.236 0.627 1.00 0.00 C ATOM 665 SD MET A 45 -11.243 4.543 2.345 1.00 0.00 S ATOM 666 CE MET A 45 -12.355 3.428 3.196 1.00 0.00 C ATOM 0 H MET A 45 -12.192 5.785 -1.653 1.00 0.00 H new ATOM 0 HA MET A 45 -13.379 3.245 -1.307 1.00 0.00 H new ATOM 0 HB2 MET A 45 -13.257 5.694 0.495 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.797 4.112 1.020 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.558 3.179 0.401 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.029 4.794 -0.027 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.957 3.202 4.185 1.00 0.00 H new ATOM 0 HE2 MET A 45 -13.334 3.897 3.297 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.452 2.505 2.625 1.00 0.00 H new ATOM 676 N ASP A 46 -15.405 5.736 -1.781 1.00 0.00 N ATOM 677 CA ASP A 46 -16.802 6.115 -1.980 1.00 0.00 C ATOM 678 C ASP A 46 -17.528 5.133 -2.897 1.00 0.00 C ATOM 679 O ASP A 46 -18.730 4.913 -2.755 1.00 0.00 O ATOM 680 CB ASP A 46 -16.883 7.524 -2.569 1.00 0.00 C ATOM 681 CG ASP A 46 -18.310 7.946 -2.862 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.981 8.451 -1.937 1.00 0.00 O ATOM 683 OD2 ASP A 46 -18.757 7.772 -4.015 1.00 0.00 O ATOM 0 H ASP A 46 -14.732 6.446 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.292 6.093 -1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.433 8.232 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.299 7.565 -3.488 1.00 0.00 H new ATOM 688 N LYS A 47 -16.793 4.545 -3.838 1.00 0.00 N ATOM 689 CA LYS A 47 -17.379 3.601 -4.787 1.00 0.00 C ATOM 690 C LYS A 47 -17.223 2.156 -4.317 1.00 0.00 C ATOM 691 O LYS A 47 -18.183 1.383 -4.326 1.00 0.00 O ATOM 692 CB LYS A 47 -16.726 3.769 -6.160 1.00 0.00 C ATOM 693 CG LYS A 47 -16.801 5.187 -6.702 1.00 0.00 C ATOM 694 CD LYS A 47 -18.228 5.577 -7.055 1.00 0.00 C ATOM 695 CE LYS A 47 -18.298 6.983 -7.627 1.00 0.00 C ATOM 696 NZ LYS A 47 -17.475 7.123 -8.860 1.00 0.00 N ATOM 0 H LYS A 47 -15.793 4.705 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.445 3.819 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -15.680 3.469 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.207 3.093 -6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.406 5.882 -5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.170 5.273 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -18.631 4.869 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.854 5.514 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.335 7.232 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.955 7.697 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.741 7.997 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.468 7.163 -8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.641 6.307 -9.483 1.00 0.00 H new ATOM 710 N TYR A 48 -16.011 1.796 -3.913 1.00 0.00 N ATOM 711 CA TYR A 48 -15.725 0.441 -3.456 1.00 0.00 C ATOM 712 C TYR A 48 -16.591 0.045 -2.260 1.00 0.00 C ATOM 713 O TYR A 48 -17.153 -1.047 -2.234 1.00 0.00 O ATOM 714 CB TYR A 48 -14.243 0.304 -3.098 1.00 0.00 C ATOM 715 CG TYR A 48 -13.338 0.132 -4.299 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.295 1.090 -5.306 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.523 -0.988 -4.426 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.471 0.936 -6.403 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.694 -1.147 -5.521 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.672 -0.183 -6.505 1.00 0.00 C ATOM 721 OH TYR A 48 -10.850 -0.338 -7.596 1.00 0.00 O ATOM 0 H TYR A 48 -15.208 2.425 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 48 -15.965 -0.236 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -13.930 1.188 -2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.117 -0.551 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.917 1.970 -5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.538 -1.746 -3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.452 1.688 -7.178 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.067 -2.022 -5.605 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.843 -1.279 -7.869 1.00 0.00 H new ATOM 731 N TYR A 49 -16.706 0.932 -1.274 1.00 0.00 N ATOM 732 CA TYR A 49 -17.501 0.639 -0.082 1.00 0.00 C ATOM 733 C TYR A 49 -18.960 0.362 -0.446 1.00 0.00 C ATOM 734 O TYR A 49 -19.700 -0.234 0.338 1.00 0.00 O ATOM 735 CB TYR A 49 -17.402 1.786 0.935 1.00 0.00 C ATOM 736 CG TYR A 49 -18.626 2.678 1.008 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.806 3.724 0.111 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.599 2.473 1.979 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.920 4.539 0.180 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.716 3.284 2.054 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.871 4.315 1.153 1.00 0.00 C ATOM 742 OH TYR A 49 -21.982 5.125 1.225 1.00 0.00 O ATOM 0 H TYR A 49 -16.264 1.851 -1.275 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.094 -0.262 0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.219 1.363 1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.537 2.400 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -18.063 3.903 -0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.480 1.666 2.687 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -20.045 5.348 -0.525 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.463 3.111 2.814 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.553 4.832 1.965 1.00 0.00 H new ATOM 752 N LEU A 50 -19.367 0.796 -1.636 1.00 0.00 N ATOM 753 CA LEU A 50 -20.735 0.584 -2.097 1.00 0.00 C ATOM 754 C LEU A 50 -20.909 -0.824 -2.651 1.00 0.00 C ATOM 755 O LEU A 50 -21.830 -1.544 -2.265 1.00 0.00 O ATOM 756 CB LEU A 50 -21.112 1.614 -3.168 1.00 0.00 C ATOM 757 CG LEU A 50 -21.345 3.036 -2.651 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.599 3.989 -3.809 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.509 3.062 -1.672 1.00 0.00 C ATOM 0 H LEU A 50 -18.771 1.295 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.398 0.707 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.321 1.642 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.017 1.275 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.447 3.364 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.763 4.995 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.736 3.991 -4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.481 3.664 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.661 4.080 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.413 2.715 -2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.288 2.410 -0.827 1.00 0.00 H new ATOM 771 N GLU A 51 -20.016 -1.212 -3.556 1.00 0.00 N ATOM 772 CA GLU A 51 -20.077 -2.536 -4.168 1.00 0.00 C ATOM 773 C GLU A 51 -19.791 -3.629 -3.141 1.00 0.00 C ATOM 774 O GLU A 51 -20.356 -4.720 -3.210 1.00 0.00 O ATOM 775 CB GLU A 51 -19.082 -2.632 -5.326 1.00 0.00 C ATOM 776 CG GLU A 51 -19.320 -1.601 -6.417 1.00 0.00 C ATOM 777 CD GLU A 51 -20.727 -1.664 -6.980 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.978 -2.516 -7.857 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.577 -0.860 -6.542 1.00 0.00 O ATOM 0 H GLU A 51 -19.243 -0.631 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.086 -2.683 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.071 -2.511 -4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.138 -3.630 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.137 -0.604 -6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.603 -1.757 -7.223 1.00 0.00 H new ATOM 786 N PHE A 52 -18.912 -3.330 -2.190 1.00 0.00 N ATOM 787 CA PHE A 52 -18.557 -4.291 -1.154 1.00 0.00 C ATOM 788 C PHE A 52 -19.634 -4.357 -0.076 1.00 0.00 C ATOM 789 O PHE A 52 -19.564 -3.655 0.933 1.00 0.00 O ATOM 790 CB PHE A 52 -17.207 -3.933 -0.526 1.00 0.00 C ATOM 791 CG PHE A 52 -16.023 -4.425 -1.314 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.505 -5.690 -1.090 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.427 -3.622 -2.275 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.417 -6.147 -1.809 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.338 -4.073 -2.996 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.832 -5.337 -2.762 1.00 0.00 C ATOM 0 H PHE A 52 -18.434 -2.432 -2.116 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.478 -5.272 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.140 -2.850 -0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.162 -4.351 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.957 -6.327 -0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.819 -2.633 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.025 -7.136 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.883 -3.438 -3.742 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.980 -5.691 -3.324 1.00 0.00 H new ATOM 806 N GLU A 53 -20.636 -5.197 -0.308 1.00 0.00 N ATOM 807 CA GLU A 53 -21.734 -5.365 0.639 1.00 0.00 C ATOM 808 C GLU A 53 -21.557 -6.643 1.451 1.00 0.00 C ATOM 809 O GLU A 53 -20.871 -7.571 1.023 1.00 0.00 O ATOM 810 CB GLU A 53 -23.072 -5.395 -0.102 1.00 0.00 C ATOM 811 CG GLU A 53 -23.138 -6.450 -1.195 1.00 0.00 C ATOM 812 CD GLU A 53 -24.458 -6.436 -1.941 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.393 -7.140 -1.506 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.556 -5.720 -2.960 1.00 0.00 O ATOM 0 H GLU A 53 -20.711 -5.774 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.727 -4.517 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.872 -5.577 0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.256 -4.415 -0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.324 -6.287 -1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.985 -7.435 -0.754 1.00 0.00 H new ATOM 821 N ASP A 54 -22.180 -6.685 2.624 1.00 0.00 N ATOM 822 CA ASP A 54 -22.089 -7.850 3.496 1.00 0.00 C ATOM 823 C ASP A 54 -22.833 -9.040 2.898 1.00 0.00 C ATOM 824 O ASP A 54 -24.058 -9.119 2.969 1.00 0.00 O ATOM 825 CB ASP A 54 -22.655 -7.521 4.878 1.00 0.00 C ATOM 826 CG ASP A 54 -22.503 -8.670 5.854 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.382 -9.558 5.869 1.00 0.00 O ATOM 828 OD2 ASP A 54 -21.504 -8.684 6.604 1.00 0.00 O ATOM 0 H ASP A 54 -22.753 -5.926 2.992 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.037 -8.118 3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.148 -6.641 5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.710 -7.265 4.784 1.00 0.00 H new ATOM 833 N THR A 55 -22.080 -9.962 2.302 1.00 0.00 N ATOM 834 CA THR A 55 -22.663 -11.152 1.691 1.00 0.00 C ATOM 835 C THR A 55 -21.805 -12.382 1.963 1.00 0.00 C ATOM 836 O THR A 55 -20.700 -12.274 2.496 1.00 0.00 O ATOM 837 CB THR A 55 -22.827 -10.983 0.169 1.00 0.00 C ATOM 838 OG1 THR A 55 -21.563 -10.674 -0.430 1.00 0.00 O ATOM 839 CG2 THR A 55 -23.828 -9.884 -0.152 1.00 0.00 C ATOM 0 H THR A 55 -21.064 -9.907 2.230 1.00 0.00 H new ATOM 0 HA THR A 55 -23.647 -11.288 2.140 1.00 0.00 H new ATOM 0 HB THR A 55 -23.202 -11.922 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.676 -10.570 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 55 -23.925 -9.785 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.797 -10.138 0.278 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.480 -8.941 0.269 1.00 0.00 H new ATOM 847 N GLU A 56 -22.319 -13.552 1.596 1.00 0.00 N ATOM 848 CA GLU A 56 -21.597 -14.803 1.800 1.00 0.00 C ATOM 849 C GLU A 56 -21.233 -15.444 0.465 1.00 0.00 C ATOM 850 O GLU A 56 -20.432 -16.379 0.410 1.00 0.00 O ATOM 851 CB GLU A 56 -22.438 -15.771 2.636 1.00 0.00 C ATOM 852 CG GLU A 56 -22.794 -15.234 4.013 1.00 0.00 C ATOM 853 CD GLU A 56 -23.595 -16.223 4.837 1.00 0.00 C ATOM 854 OE1 GLU A 56 -24.841 -16.201 4.743 1.00 0.00 O ATOM 855 OE2 GLU A 56 -22.977 -17.018 5.576 1.00 0.00 O ATOM 0 H GLU A 56 -23.233 -13.660 1.156 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.675 -14.580 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.357 -16.001 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -21.893 -16.708 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -21.879 -14.980 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.365 -14.312 3.903 1.00 0.00 H new ATOM 862 N GLU A 57 -21.829 -14.937 -0.611 1.00 0.00 N ATOM 863 CA GLU A 57 -21.567 -15.457 -1.948 1.00 0.00 C ATOM 864 C GLU A 57 -20.646 -14.521 -2.726 1.00 0.00 C ATOM 865 O GLU A 57 -20.711 -13.301 -2.572 1.00 0.00 O ATOM 866 CB GLU A 57 -22.880 -15.647 -2.712 1.00 0.00 C ATOM 867 CG GLU A 57 -22.695 -16.225 -4.106 1.00 0.00 C ATOM 868 CD GLU A 57 -24.008 -16.386 -4.850 1.00 0.00 C ATOM 869 OE1 GLU A 57 -24.441 -15.416 -5.506 1.00 0.00 O ATOM 870 OE2 GLU A 57 -24.601 -17.482 -4.775 1.00 0.00 O ATOM 0 H GLU A 57 -22.497 -14.166 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.072 -16.422 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.532 -16.305 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.387 -14.685 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -22.034 -15.576 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -22.203 -17.195 -4.031 1.00 0.00 H new ATOM 877 N ASN A 58 -19.788 -15.102 -3.559 1.00 0.00 N ATOM 878 CA ASN A 58 -18.857 -14.321 -4.366 1.00 0.00 C ATOM 879 C ASN A 58 -19.496 -13.924 -5.692 1.00 0.00 C ATOM 880 O ASN A 58 -20.355 -14.635 -6.213 1.00 0.00 O ATOM 881 CB ASN A 58 -17.575 -15.118 -4.619 1.00 0.00 C ATOM 882 CG ASN A 58 -17.832 -16.401 -5.387 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.900 -17.003 -5.278 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.847 -16.826 -6.170 1.00 0.00 N ATOM 0 H ASN A 58 -19.718 -16.111 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.606 -13.414 -3.817 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.870 -14.500 -5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.105 -15.357 -3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.959 -17.683 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.978 -16.295 -6.230 1.00 0.00 H new ATOM 891 N LYS A 59 -19.073 -12.785 -6.233 1.00 0.00 N ATOM 892 CA LYS A 59 -19.609 -12.296 -7.498 1.00 0.00 C ATOM 893 C LYS A 59 -18.493 -12.045 -8.506 1.00 0.00 C ATOM 894 O LYS A 59 -17.320 -11.964 -8.143 1.00 0.00 O ATOM 895 CB LYS A 59 -20.415 -11.015 -7.273 1.00 0.00 C ATOM 896 CG LYS A 59 -21.651 -11.218 -6.409 1.00 0.00 C ATOM 897 CD LYS A 59 -22.428 -9.923 -6.224 1.00 0.00 C ATOM 898 CE LYS A 59 -21.663 -8.926 -5.368 1.00 0.00 C ATOM 899 NZ LYS A 59 -21.411 -9.448 -3.998 1.00 0.00 N ATOM 0 H LYS A 59 -18.362 -12.185 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.268 -13.063 -7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.773 -10.269 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.719 -10.612 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.296 -11.967 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.354 -11.606 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.637 -9.481 -7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.390 -10.139 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.713 -8.691 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.227 -7.995 -5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.795 -8.782 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.875 -10.372 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -20.387 -9.555 -3.850 1.00 0.00 H new ATOM 913 N LEU A 60 -18.870 -11.924 -9.775 1.00 0.00 N ATOM 914 CA LEU A 60 -17.905 -11.686 -10.844 1.00 0.00 C ATOM 915 C LEU A 60 -17.503 -10.215 -10.905 1.00 0.00 C ATOM 916 O LEU A 60 -16.488 -9.866 -11.508 1.00 0.00 O ATOM 917 CB LEU A 60 -18.489 -12.120 -12.190 1.00 0.00 C ATOM 918 CG LEU A 60 -18.828 -13.609 -12.304 1.00 0.00 C ATOM 919 CD1 LEU A 60 -19.543 -13.893 -13.615 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.568 -14.455 -12.190 1.00 0.00 C ATOM 0 H LEU A 60 -19.838 -11.987 -10.089 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.014 -12.277 -10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.394 -11.542 -12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.778 -11.864 -12.976 1.00 0.00 H new ATOM 0 HG LEU A 60 -19.494 -13.873 -11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -19.776 -14.956 -13.679 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.466 -13.315 -13.658 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.900 -13.612 -14.449 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.829 -15.510 -12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.877 -14.188 -12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.094 -14.274 -11.225 1.00 0.00 H new ATOM 932 N ILE A 61 -18.303 -9.358 -10.281 1.00 0.00 N ATOM 933 CA ILE A 61 -18.030 -7.924 -10.272 1.00 0.00 C ATOM 934 C ILE A 61 -16.747 -7.612 -9.502 1.00 0.00 C ATOM 935 O ILE A 61 -16.176 -6.527 -9.636 1.00 0.00 O ATOM 936 CB ILE A 61 -19.208 -7.136 -9.657 1.00 0.00 C ATOM 937 CG1 ILE A 61 -19.016 -5.630 -9.859 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.358 -7.461 -8.179 1.00 0.00 C ATOM 939 CD1 ILE A 61 -19.045 -5.203 -11.310 1.00 0.00 C ATOM 0 H ILE A 61 -19.146 -9.630 -9.775 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.902 -7.614 -11.309 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.122 -7.437 -10.169 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.797 -5.097 -9.317 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.064 -5.332 -9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.193 -6.896 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.547 -8.528 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.442 -7.193 -7.653 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.903 -4.124 -11.375 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.246 -5.708 -11.854 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.007 -5.469 -11.748 1.00 0.00 H new ATOM 951 N TYR A 62 -16.291 -8.576 -8.707 1.00 0.00 N ATOM 952 CA TYR A 62 -15.075 -8.403 -7.920 1.00 0.00 C ATOM 953 C TYR A 62 -13.829 -8.474 -8.800 1.00 0.00 C ATOM 954 O TYR A 62 -12.760 -8.006 -8.408 1.00 0.00 O ATOM 955 CB TYR A 62 -14.995 -9.462 -6.818 1.00 0.00 C ATOM 956 CG TYR A 62 -15.994 -9.252 -5.701 1.00 0.00 C ATOM 957 CD1 TYR A 62 -15.910 -8.143 -4.867 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.022 -10.160 -5.480 1.00 0.00 C ATOM 959 CE1 TYR A 62 -16.821 -7.947 -3.847 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.936 -9.971 -4.462 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.832 -8.863 -3.648 1.00 0.00 C ATOM 962 OH TYR A 62 -18.739 -8.670 -2.633 1.00 0.00 O ATOM 0 H TYR A 62 -16.744 -9.482 -8.591 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.115 -7.414 -7.463 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.157 -10.446 -7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.989 -9.462 -6.399 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.120 -7.423 -5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.108 -11.029 -6.115 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -16.742 -7.080 -3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.728 -10.688 -4.304 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.852 -7.710 -2.474 1.00 0.00 H new ATOM 972 N THR A 63 -13.969 -9.059 -9.986 1.00 0.00 N ATOM 973 CA THR A 63 -12.845 -9.179 -10.911 1.00 0.00 C ATOM 974 C THR A 63 -12.451 -7.816 -11.492 1.00 0.00 C ATOM 975 O THR A 63 -11.281 -7.435 -11.432 1.00 0.00 O ATOM 976 CB THR A 63 -13.150 -10.167 -12.056 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.504 -11.446 -11.516 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.949 -10.318 -12.979 1.00 0.00 C ATOM 0 H THR A 63 -14.844 -9.456 -10.328 1.00 0.00 H new ATOM 0 HA THR A 63 -12.006 -9.570 -10.335 1.00 0.00 H new ATOM 0 HB THR A 63 -13.984 -9.770 -12.634 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.698 -12.068 -12.248 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.190 -11.020 -13.778 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.698 -9.349 -13.411 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.098 -10.693 -12.411 1.00 0.00 H new ATOM 986 N PRO A 64 -13.411 -7.055 -12.067 1.00 0.00 N ATOM 987 CA PRO A 64 -13.124 -5.731 -12.631 1.00 0.00 C ATOM 988 C PRO A 64 -12.778 -4.717 -11.547 1.00 0.00 C ATOM 989 O PRO A 64 -11.903 -3.870 -11.732 1.00 0.00 O ATOM 990 CB PRO A 64 -14.430 -5.343 -13.330 1.00 0.00 C ATOM 991 CG PRO A 64 -15.479 -6.120 -12.619 1.00 0.00 C ATOM 992 CD PRO A 64 -14.832 -7.420 -12.232 1.00 0.00 C ATOM 0 HA PRO A 64 -12.264 -5.748 -13.300 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.614 -4.271 -13.260 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.402 -5.593 -14.391 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.835 -5.583 -11.740 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.343 -6.289 -13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.254 -7.821 -11.311 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.965 -8.181 -13.001 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.472 -4.808 -10.415 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.233 -3.904 -9.297 1.00 0.00 C ATOM 1002 C ILE A 65 -11.820 -4.080 -8.742 1.00 0.00 C ATOM 1003 O ILE A 65 -11.155 -3.106 -8.390 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.262 -4.127 -8.169 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.656 -3.695 -8.635 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.858 -3.368 -6.911 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.750 -3.985 -7.631 1.00 0.00 C ATOM 0 H ILE A 65 -14.204 -5.499 -10.249 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.341 -2.887 -9.675 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.287 -5.190 -7.928 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.643 -2.626 -8.847 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.890 -4.203 -9.571 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.598 -3.540 -6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.883 -3.719 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.804 -2.302 -7.131 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.708 -3.652 -8.030 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.791 -5.057 -7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.540 -3.456 -6.702 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.370 -5.329 -8.668 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.038 -5.634 -8.155 1.00 0.00 C ATOM 1021 C PHE A 66 -8.959 -5.051 -9.063 1.00 0.00 C ATOM 1022 O PHE A 66 -8.016 -4.416 -8.590 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.851 -7.147 -8.027 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.511 -7.543 -7.480 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.246 -7.448 -6.123 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.516 -8.011 -8.322 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.013 -7.812 -5.617 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.281 -8.377 -7.822 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.029 -8.277 -6.468 1.00 0.00 C ATOM 0 H PHE A 66 -11.908 -6.146 -8.957 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.943 -5.179 -7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.631 -7.547 -7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.984 -7.605 -9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.012 -7.085 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.708 -8.091 -9.382 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.819 -7.733 -4.558 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.514 -8.741 -8.489 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.064 -8.562 -6.075 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.103 -5.271 -10.366 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.138 -4.767 -11.338 1.00 0.00 C ATOM 1041 C ASN A 67 -8.055 -3.246 -11.278 1.00 0.00 C ATOM 1042 O ASN A 67 -7.000 -2.662 -11.525 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.520 -5.215 -12.750 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.536 -6.724 -12.896 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.780 -7.431 -12.232 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.403 -7.224 -13.769 1.00 0.00 N ATOM 0 H ASN A 67 -9.878 -5.794 -10.773 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.159 -5.178 -11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.504 -4.819 -13.000 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.815 -4.791 -13.465 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.461 -8.233 -13.910 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.011 -6.599 -14.298 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.175 -2.611 -10.948 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.228 -1.158 -10.847 1.00 0.00 C ATOM 1055 C GLU A 68 -8.421 -0.673 -9.650 1.00 0.00 C ATOM 1056 O GLU A 68 -7.775 0.372 -9.705 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.678 -0.688 -10.722 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.812 0.803 -10.462 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.253 1.274 -10.490 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.771 1.535 -11.597 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.863 1.385 -9.407 1.00 0.00 O ATOM 0 H GLU A 68 -10.058 -3.080 -10.746 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.794 -0.736 -11.754 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.213 -0.938 -11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.160 -1.235 -9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.376 1.039 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.240 1.351 -11.211 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.467 -1.441 -8.568 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.741 -1.101 -7.352 1.00 0.00 C ATOM 1070 C TYR A 69 -6.236 -1.163 -7.580 1.00 0.00 C ATOM 1071 O TYR A 69 -5.488 -0.304 -7.110 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.136 -2.057 -6.224 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.338 -1.858 -4.957 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -7.511 -0.723 -4.178 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.413 -2.807 -4.540 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -6.783 -0.537 -3.017 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.682 -2.629 -3.382 1.00 0.00 C ATOM 1078 CZ TYR A 69 -5.870 -1.494 -2.624 1.00 0.00 C ATOM 1079 OH TYR A 69 -5.143 -1.312 -1.469 1.00 0.00 O ATOM 0 H TYR A 69 -9.002 -2.307 -8.509 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.004 -0.081 -7.071 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.195 -1.925 -6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.008 -3.084 -6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.226 0.027 -4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -6.263 -3.698 -5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.928 0.352 -2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.966 -3.376 -3.072 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.260 -2.089 -0.883 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.801 -2.185 -8.305 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.387 -2.378 -8.594 1.00 0.00 C ATOM 1091 C ILE A 70 -3.882 -1.369 -9.622 1.00 0.00 C ATOM 1092 O ILE A 70 -2.707 -1.005 -9.622 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.117 -3.808 -9.102 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.720 -4.834 -8.135 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.621 -4.039 -9.275 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.106 -4.810 -6.750 1.00 0.00 C ATOM 0 H ILE A 70 -6.412 -2.897 -8.706 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.847 -2.222 -7.660 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.592 -3.931 -10.075 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.791 -4.652 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.599 -5.831 -8.558 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.449 -5.054 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.224 -3.326 -9.997 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.119 -3.903 -8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.586 -5.564 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.039 -5.023 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.250 -3.825 -6.305 1.00 0.00 H new ATOM 1108 N SER A 71 -4.768 -0.921 -10.501 1.00 0.00 N ATOM 1109 CA SER A 71 -4.394 0.040 -11.532 1.00 0.00 C ATOM 1110 C SER A 71 -4.420 1.473 -11.000 1.00 0.00 C ATOM 1111 O SER A 71 -3.629 2.313 -11.427 1.00 0.00 O ATOM 1112 CB SER A 71 -5.334 -0.084 -12.732 1.00 0.00 C ATOM 1113 OG SER A 71 -6.674 0.194 -12.363 1.00 0.00 O ATOM 0 H SER A 71 -5.747 -1.206 -10.522 1.00 0.00 H new ATOM 0 HA SER A 71 -3.374 -0.187 -11.843 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.020 0.604 -13.516 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.269 -1.090 -13.146 1.00 0.00 H new ATOM 0 HG SER A 71 -6.756 0.173 -11.387 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.336 1.751 -10.077 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.467 3.092 -9.511 1.00 0.00 C ATOM 1121 C LEU A 72 -4.593 3.290 -8.269 1.00 0.00 C ATOM 1122 O LEU A 72 -3.683 4.120 -8.267 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.941 3.367 -9.170 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.305 4.822 -8.827 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.928 5.156 -7.391 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.641 5.793 -9.795 1.00 0.00 C ATOM 0 H LEU A 72 -5.997 1.069 -9.705 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.120 3.801 -10.262 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.552 3.053 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.219 2.737 -8.325 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.385 4.926 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.196 6.190 -7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.463 4.493 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.854 5.024 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.914 6.814 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.558 5.681 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.974 5.579 -10.811 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.864 2.514 -7.223 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.134 2.636 -5.960 1.00 0.00 C ATOM 1140 C VAL A 73 -2.706 2.093 -6.034 1.00 0.00 C ATOM 1141 O VAL A 73 -1.749 2.831 -5.804 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.885 1.927 -4.817 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.144 2.094 -3.497 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.304 2.462 -4.707 1.00 0.00 C ATOM 0 H VAL A 73 -5.585 1.792 -7.223 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.071 3.705 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.932 0.862 -5.045 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.693 1.585 -2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.147 1.662 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.061 3.154 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.823 1.952 -3.895 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.275 3.532 -4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.833 2.285 -5.644 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.566 0.807 -6.347 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.247 0.180 -6.418 1.00 0.00 C ATOM 1156 C GLU A 74 -0.301 0.981 -7.311 1.00 0.00 C ATOM 1157 O GLU A 74 0.853 1.216 -6.950 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.367 -1.257 -6.934 1.00 0.00 C ATOM 1159 CG GLU A 74 -0.181 -2.141 -6.579 1.00 0.00 C ATOM 1160 CD GLU A 74 1.082 -1.762 -7.330 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.168 -2.065 -8.538 1.00 0.00 O ATOM 1162 OE2 GLU A 74 1.984 -1.162 -6.709 1.00 0.00 O ATOM 0 H GLU A 74 -3.344 0.181 -6.555 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.830 0.163 -5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.275 -1.704 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.480 -1.235 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.006 -2.076 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.430 -3.180 -6.797 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.791 1.405 -8.471 1.00 0.00 N ATOM 1170 CA LYS A 75 0.023 2.178 -9.402 1.00 0.00 C ATOM 1171 C LYS A 75 0.317 3.569 -8.850 1.00 0.00 C ATOM 1172 O LYS A 75 1.367 4.144 -9.129 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.670 2.290 -10.759 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.798 0.962 -11.489 1.00 0.00 C ATOM 1175 CD LYS A 75 0.562 0.412 -11.888 1.00 0.00 C ATOM 1176 CE LYS A 75 0.434 -0.926 -12.599 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.762 -1.491 -12.961 1.00 0.00 N ATOM 0 H LYS A 75 -1.744 1.227 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 75 0.969 1.652 -9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.664 2.714 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.113 2.987 -11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.309 0.242 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.414 1.093 -12.379 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.067 1.125 -12.540 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.184 0.296 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.097 -1.629 -11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.166 -0.802 -13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.631 -2.403 -13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.259 -0.832 -13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.325 -1.633 -12.099 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.615 4.109 -8.069 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.439 5.433 -7.481 1.00 0.00 C ATOM 1193 C TYR A 76 0.814 5.478 -6.612 1.00 0.00 C ATOM 1194 O TYR A 76 1.652 6.368 -6.760 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.663 5.815 -6.646 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.613 7.224 -6.098 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -2.127 8.291 -6.823 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.049 7.488 -4.854 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -2.084 9.579 -6.327 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.002 8.775 -4.351 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.520 9.816 -5.093 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.476 11.100 -4.596 1.00 0.00 O ATOM 0 H TYR A 76 -1.495 3.653 -7.830 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.326 6.150 -8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.558 5.705 -7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.757 5.115 -5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.568 8.110 -7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.641 6.675 -4.272 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.491 10.397 -6.904 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.562 8.964 -3.383 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.048 11.095 -3.715 1.00 0.00 H new ATOM 1212 N ILE A 77 0.937 4.512 -5.708 1.00 0.00 N ATOM 1213 CA ILE A 77 2.083 4.445 -4.809 1.00 0.00 C ATOM 1214 C ILE A 77 3.387 4.227 -5.574 1.00 0.00 C ATOM 1215 O ILE A 77 4.367 4.942 -5.362 1.00 0.00 O ATOM 1216 CB ILE A 77 1.922 3.310 -3.774 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.626 3.489 -2.980 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.125 3.271 -2.839 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.334 2.347 -2.026 1.00 0.00 C ATOM 0 H ILE A 77 0.256 3.764 -5.578 1.00 0.00 H new ATOM 0 HA ILE A 77 2.125 5.404 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 77 1.868 2.360 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.683 4.419 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.206 3.590 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.997 2.466 -2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.031 3.097 -3.419 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.208 4.222 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.599 2.543 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.245 1.417 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.147 2.258 -1.305 1.00 0.00 H new ATOM 1231 N GLU A 78 3.391 3.240 -6.463 1.00 0.00 N ATOM 1232 CA GLU A 78 4.582 2.915 -7.244 1.00 0.00 C ATOM 1233 C GLU A 78 5.072 4.107 -8.065 1.00 0.00 C ATOM 1234 O GLU A 78 6.251 4.457 -8.016 1.00 0.00 O ATOM 1235 CB GLU A 78 4.298 1.731 -8.171 1.00 0.00 C ATOM 1236 CG GLU A 78 5.526 1.236 -8.917 1.00 0.00 C ATOM 1237 CD GLU A 78 5.228 0.048 -9.810 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.240 -1.093 -9.303 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.983 0.260 -11.017 1.00 0.00 O ATOM 0 H GLU A 78 2.583 2.650 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 78 5.370 2.650 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.885 0.911 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.536 2.021 -8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.930 2.048 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.297 0.960 -8.197 1.00 0.00 H new ATOM 1246 N GLU A 79 4.167 4.726 -8.816 1.00 0.00 N ATOM 1247 CA GLU A 79 4.521 5.867 -9.658 1.00 0.00 C ATOM 1248 C GLU A 79 5.109 7.016 -8.841 1.00 0.00 C ATOM 1249 O GLU A 79 6.170 7.541 -9.176 1.00 0.00 O ATOM 1250 CB GLU A 79 3.300 6.359 -10.437 1.00 0.00 C ATOM 1251 CG GLU A 79 2.831 5.391 -11.511 1.00 0.00 C ATOM 1252 CD GLU A 79 1.666 5.934 -12.317 1.00 0.00 C ATOM 1253 OE1 GLU A 79 1.913 6.687 -13.283 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.509 5.608 -11.982 1.00 0.00 O ATOM 0 H GLU A 79 3.184 4.458 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 79 5.284 5.526 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.482 6.538 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.538 7.316 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.661 5.169 -12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.538 4.450 -11.044 1.00 0.00 H new ATOM 1261 N GLN A 80 4.421 7.396 -7.769 1.00 0.00 N ATOM 1262 CA GLN A 80 4.872 8.500 -6.922 1.00 0.00 C ATOM 1263 C GLN A 80 6.273 8.252 -6.367 1.00 0.00 C ATOM 1264 O GLN A 80 7.066 9.184 -6.232 1.00 0.00 O ATOM 1265 CB GLN A 80 3.888 8.726 -5.772 1.00 0.00 C ATOM 1266 CG GLN A 80 2.532 9.247 -6.222 1.00 0.00 C ATOM 1267 CD GLN A 80 2.626 10.579 -6.941 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.565 11.639 -6.317 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.773 10.532 -8.259 1.00 0.00 N ATOM 0 H GLN A 80 3.551 6.959 -7.465 1.00 0.00 H new ATOM 0 HA GLN A 80 4.911 9.394 -7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.747 7.787 -5.236 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.323 9.434 -5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.067 8.515 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.882 9.353 -5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.819 9.631 -8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.840 11.397 -8.796 1.00 0.00 H new ATOM 1278 N LEU A 81 6.574 7.000 -6.048 1.00 0.00 N ATOM 1279 CA LEU A 81 7.883 6.647 -5.509 1.00 0.00 C ATOM 1280 C LEU A 81 8.959 6.708 -6.590 1.00 0.00 C ATOM 1281 O LEU A 81 10.085 7.136 -6.336 1.00 0.00 O ATOM 1282 CB LEU A 81 7.845 5.250 -4.884 1.00 0.00 C ATOM 1283 CG LEU A 81 6.999 5.125 -3.615 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.929 3.674 -3.162 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.565 6.002 -2.507 1.00 0.00 C ATOM 0 H LEU A 81 5.933 6.214 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 81 8.133 7.374 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.464 4.548 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.866 4.946 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 81 5.988 5.465 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.324 3.604 -2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.479 3.069 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.935 3.309 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.950 5.900 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.586 5.692 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.565 7.043 -2.831 1.00 0.00 H new ATOM 1297 N LEU A 82 8.604 6.282 -7.799 1.00 0.00 N ATOM 1298 CA LEU A 82 9.542 6.283 -8.917 1.00 0.00 C ATOM 1299 C LEU A 82 9.883 7.705 -9.354 1.00 0.00 C ATOM 1300 O LEU A 82 10.938 7.944 -9.943 1.00 0.00 O ATOM 1301 CB LEU A 82 8.964 5.500 -10.098 1.00 0.00 C ATOM 1302 CG LEU A 82 8.812 3.995 -9.871 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.095 3.350 -11.047 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.173 3.348 -9.656 1.00 0.00 C ATOM 0 H LEU A 82 7.674 5.932 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 82 10.460 5.800 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.986 5.914 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.605 5.657 -10.966 1.00 0.00 H new ATOM 0 HG LEU A 82 8.212 3.840 -8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.995 2.279 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.105 3.793 -11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.670 3.515 -11.958 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.046 2.277 -9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.797 3.512 -10.535 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.653 3.791 -8.783 1.00 0.00 H new ATOM 1316 N GLN A 83 8.988 8.644 -9.064 1.00 0.00 N ATOM 1317 CA GLN A 83 9.199 10.041 -9.431 1.00 0.00 C ATOM 1318 C GLN A 83 10.454 10.605 -8.771 1.00 0.00 C ATOM 1319 O GLN A 83 11.013 11.599 -9.234 1.00 0.00 O ATOM 1320 CB GLN A 83 7.983 10.882 -9.040 1.00 0.00 C ATOM 1321 CG GLN A 83 6.742 10.577 -9.861 1.00 0.00 C ATOM 1322 CD GLN A 83 6.876 11.009 -11.309 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.535 12.136 -11.667 1.00 0.00 O ATOM 1324 NE2 GLN A 83 7.373 10.110 -12.151 1.00 0.00 N ATOM 0 H GLN A 83 8.110 8.464 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 83 9.334 10.084 -10.512 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.761 10.716 -7.986 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.231 11.938 -9.151 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.540 9.506 -9.823 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.884 11.079 -9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.643 9.187 -11.811 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.485 10.343 -13.138 1.00 0.00 H new ATOM 1333 N ARG A 84 10.892 9.968 -7.689 1.00 0.00 N ATOM 1334 CA ARG A 84 12.082 10.415 -6.973 1.00 0.00 C ATOM 1335 C ARG A 84 13.158 9.334 -6.978 1.00 0.00 C ATOM 1336 O ARG A 84 14.345 9.624 -6.825 1.00 0.00 O ATOM 1337 CB ARG A 84 11.725 10.799 -5.535 1.00 0.00 C ATOM 1338 CG ARG A 84 12.909 11.306 -4.728 1.00 0.00 C ATOM 1339 CD ARG A 84 12.473 11.826 -3.369 1.00 0.00 C ATOM 1340 NE ARG A 84 11.584 12.979 -3.487 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.064 13.620 -2.445 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.339 13.217 -1.211 1.00 0.00 N ATOM 1343 NH2 ARG A 84 10.267 14.662 -2.637 1.00 0.00 N ATOM 0 H ARG A 84 10.443 9.144 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 84 12.476 11.293 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.953 11.568 -5.554 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.298 9.932 -5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 84 13.632 10.501 -4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.413 12.101 -5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.966 11.031 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.352 12.103 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 84 11.349 13.311 -4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.950 12.414 -1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.939 13.710 -0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.053 14.972 -3.585 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.868 15.153 -1.837 1.00 0.00 H new ATOM 1357 N ILE A 85 12.735 8.086 -7.159 1.00 0.00 N ATOM 1358 CA ILE A 85 13.662 6.961 -7.188 1.00 0.00 C ATOM 1359 C ILE A 85 13.402 6.070 -8.403 1.00 0.00 C ATOM 1360 O ILE A 85 12.616 5.124 -8.328 1.00 0.00 O ATOM 1361 CB ILE A 85 13.556 6.108 -5.907 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.622 7.002 -4.665 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.664 5.063 -5.875 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.338 6.270 -3.371 1.00 0.00 C ATOM 0 H ILE A 85 11.756 7.829 -7.288 1.00 0.00 H new ATOM 0 HA ILE A 85 14.667 7.379 -7.252 1.00 0.00 H new ATOM 0 HB ILE A 85 12.596 5.592 -5.909 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.612 7.454 -4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 85 12.906 7.816 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.577 4.468 -4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.575 4.412 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.634 5.560 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.403 6.968 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.337 5.841 -3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.069 5.473 -3.236 1.00 0.00 H new ATOM 1376 N PRO A 86 14.051 6.365 -9.548 1.00 0.00 N ATOM 1377 CA PRO A 86 13.879 5.579 -10.775 1.00 0.00 C ATOM 1378 C PRO A 86 14.513 4.196 -10.676 1.00 0.00 C ATOM 1379 O PRO A 86 14.446 3.403 -11.615 1.00 0.00 O ATOM 1380 CB PRO A 86 14.587 6.418 -11.840 1.00 0.00 C ATOM 1381 CG PRO A 86 15.597 7.214 -11.087 1.00 0.00 C ATOM 1382 CD PRO A 86 14.993 7.487 -9.737 1.00 0.00 C ATOM 0 HA PRO A 86 12.827 5.392 -10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.061 5.786 -12.591 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.885 7.065 -12.365 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.533 6.664 -10.991 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.826 8.144 -11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 86 15.752 7.510 -8.955 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.481 8.449 -9.713 1.00 0.00 H new ATOM 1390 N GLU A 87 15.131 3.917 -9.535 1.00 0.00 N ATOM 1391 CA GLU A 87 15.776 2.628 -9.307 1.00 0.00 C ATOM 1392 C GLU A 87 15.055 1.851 -8.209 1.00 0.00 C ATOM 1393 O GLU A 87 15.575 0.865 -7.687 1.00 0.00 O ATOM 1394 CB GLU A 87 17.244 2.829 -8.929 1.00 0.00 C ATOM 1395 CG GLU A 87 18.070 3.480 -10.026 1.00 0.00 C ATOM 1396 CD GLU A 87 19.495 3.763 -9.594 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.346 2.858 -9.719 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.761 4.893 -9.130 1.00 0.00 O ATOM 0 H GLU A 87 15.200 4.566 -8.752 1.00 0.00 H new ATOM 0 HA GLU A 87 15.724 2.052 -10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.298 3.444 -8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.682 1.862 -8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.082 2.830 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.594 4.413 -10.329 1.00 0.00 H new ATOM 1405 N PHE A 88 13.852 2.303 -7.869 1.00 0.00 N ATOM 1406 CA PHE A 88 13.055 1.659 -6.831 1.00 0.00 C ATOM 1407 C PHE A 88 12.326 0.434 -7.376 1.00 0.00 C ATOM 1408 O PHE A 88 11.924 0.403 -8.540 1.00 0.00 O ATOM 1409 CB PHE A 88 12.044 2.652 -6.254 1.00 0.00 C ATOM 1410 CG PHE A 88 11.266 2.113 -5.088 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.802 2.134 -3.812 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.996 1.590 -5.269 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.088 1.643 -2.736 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.276 1.097 -4.198 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.822 1.123 -2.930 1.00 0.00 C ATOM 0 H PHE A 88 13.407 3.114 -8.298 1.00 0.00 H new ATOM 0 HA PHE A 88 13.731 1.330 -6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.571 3.554 -5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.348 2.946 -7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.791 2.539 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.564 1.567 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.518 1.665 -1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.287 0.692 -4.352 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.261 0.738 -2.091 1.00 0.00 H new ATOM 1425 N ASN A 89 12.158 -0.572 -6.522 1.00 0.00 N ATOM 1426 CA ASN A 89 11.474 -1.802 -6.905 1.00 0.00 C ATOM 1427 C ASN A 89 10.327 -2.098 -5.943 1.00 0.00 C ATOM 1428 O ASN A 89 10.543 -2.612 -4.845 1.00 0.00 O ATOM 1429 CB ASN A 89 12.457 -2.975 -6.928 1.00 0.00 C ATOM 1430 CG ASN A 89 13.529 -2.811 -7.989 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.572 -2.205 -7.745 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.277 -3.355 -9.173 1.00 0.00 N ATOM 0 H ASN A 89 12.488 -0.558 -5.557 1.00 0.00 H new ATOM 0 HA ASN A 89 11.064 -1.669 -7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.929 -3.069 -5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.910 -3.900 -7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.962 -3.280 -9.925 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.398 -3.849 -9.331 1.00 0.00 H new ATOM 1439 N MET A 90 9.109 -1.769 -6.361 1.00 0.00 N ATOM 1440 CA MET A 90 7.925 -1.988 -5.535 1.00 0.00 C ATOM 1441 C MET A 90 7.698 -3.477 -5.286 1.00 0.00 C ATOM 1442 O MET A 90 7.107 -3.863 -4.278 1.00 0.00 O ATOM 1443 CB MET A 90 6.692 -1.380 -6.208 1.00 0.00 C ATOM 1444 CG MET A 90 5.468 -1.317 -5.307 1.00 0.00 C ATOM 1445 SD MET A 90 5.677 -0.177 -3.925 1.00 0.00 S ATOM 1446 CE MET A 90 4.052 -0.252 -3.175 1.00 0.00 C ATOM 0 H MET A 90 8.915 -1.348 -7.270 1.00 0.00 H new ATOM 0 HA MET A 90 8.089 -1.500 -4.574 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.934 -0.373 -6.547 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.449 -1.965 -7.095 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.604 -1.012 -5.897 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.255 -2.314 -4.921 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.033 0.375 -2.283 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.307 0.105 -3.885 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.826 -1.282 -2.899 1.00 0.00 H new ATOM 1456 N ALA A 91 8.172 -4.309 -6.208 1.00 0.00 N ATOM 1457 CA ALA A 91 8.014 -5.755 -6.087 1.00 0.00 C ATOM 1458 C ALA A 91 8.893 -6.324 -4.978 1.00 0.00 C ATOM 1459 O ALA A 91 8.397 -6.950 -4.040 1.00 0.00 O ATOM 1460 CB ALA A 91 8.336 -6.430 -7.412 1.00 0.00 C ATOM 0 H ALA A 91 8.668 -4.008 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 91 6.975 -5.957 -5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.215 -7.508 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.660 -6.060 -8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.365 -6.206 -7.694 1.00 0.00 H new ATOM 1466 N ALA A 92 10.199 -6.100 -5.088 1.00 0.00 N ATOM 1467 CA ALA A 92 11.150 -6.596 -4.099 1.00 0.00 C ATOM 1468 C ALA A 92 10.969 -5.901 -2.752 1.00 0.00 C ATOM 1469 O ALA A 92 11.297 -6.463 -1.707 1.00 0.00 O ATOM 1470 CB ALA A 92 12.574 -6.412 -4.602 1.00 0.00 C ATOM 0 H ALA A 92 10.623 -5.577 -5.854 1.00 0.00 H new ATOM 0 HA ALA A 92 10.958 -7.659 -3.953 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.275 -6.786 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.706 -6.965 -5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.763 -5.353 -4.779 1.00 0.00 H new ATOM 1476 N PHE A 93 10.447 -4.679 -2.782 1.00 0.00 N ATOM 1477 CA PHE A 93 10.229 -3.912 -1.560 1.00 0.00 C ATOM 1478 C PHE A 93 9.134 -4.542 -0.705 1.00 0.00 C ATOM 1479 O PHE A 93 9.324 -4.775 0.488 1.00 0.00 O ATOM 1480 CB PHE A 93 9.864 -2.465 -1.895 1.00 0.00 C ATOM 1481 CG PHE A 93 9.561 -1.628 -0.685 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.573 -1.242 0.178 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.262 -1.227 -0.412 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.296 -0.474 1.293 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.979 -0.459 0.700 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.998 -0.082 1.554 1.00 0.00 C ATOM 0 H PHE A 93 10.167 -4.199 -3.637 1.00 0.00 H new ATOM 0 HA PHE A 93 11.158 -3.921 -0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.687 -2.009 -2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.997 -2.461 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.590 -1.545 -0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.462 -1.519 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.094 -0.181 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.963 -0.153 0.902 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.779 0.519 2.425 1.00 0.00 H new ATOM 1496 N THR A 94 7.989 -4.813 -1.322 1.00 0.00 N ATOM 1497 CA THR A 94 6.862 -5.414 -0.616 1.00 0.00 C ATOM 1498 C THR A 94 7.215 -6.796 -0.078 1.00 0.00 C ATOM 1499 O THR A 94 6.909 -7.120 1.070 1.00 0.00 O ATOM 1500 CB THR A 94 5.627 -5.531 -1.529 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.963 -6.249 -2.721 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.089 -4.155 -1.892 1.00 0.00 C ATOM 0 H THR A 94 7.816 -4.626 -2.310 1.00 0.00 H new ATOM 0 HA THR A 94 6.629 -4.755 0.220 1.00 0.00 H new ATOM 0 HB THR A 94 4.853 -6.074 -0.987 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.359 -5.634 -3.373 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.217 -4.264 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.804 -3.624 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.860 -3.590 -2.416 1.00 0.00 H new ATOM 1510 N THR A 95 7.861 -7.608 -0.912 1.00 0.00 N ATOM 1511 CA THR A 95 8.251 -8.958 -0.516 1.00 0.00 C ATOM 1512 C THR A 95 9.117 -8.935 0.740 1.00 0.00 C ATOM 1513 O THR A 95 8.976 -9.783 1.618 1.00 0.00 O ATOM 1514 CB THR A 95 9.015 -9.678 -1.642 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.226 -9.692 -2.838 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.355 -11.107 -1.241 1.00 0.00 C ATOM 0 H THR A 95 8.125 -7.355 -1.864 1.00 0.00 H new ATOM 0 HA THR A 95 7.330 -9.503 -0.309 1.00 0.00 H new ATOM 0 HB THR A 95 9.943 -9.136 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.256 -8.808 -3.260 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.894 -11.594 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.978 -11.095 -0.347 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.436 -11.656 -1.035 1.00 0.00 H new ATOM 1524 N THR A 96 10.027 -7.970 0.807 1.00 0.00 N ATOM 1525 CA THR A 96 10.911 -7.826 1.957 1.00 0.00 C ATOM 1526 C THR A 96 10.186 -7.174 3.135 1.00 0.00 C ATOM 1527 O THR A 96 10.515 -7.422 4.296 1.00 0.00 O ATOM 1528 CB THR A 96 12.155 -6.988 1.601 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.832 -7.569 0.479 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.110 -6.899 2.782 1.00 0.00 C ATOM 0 H THR A 96 10.172 -7.274 0.076 1.00 0.00 H new ATOM 0 HA THR A 96 11.226 -8.829 2.244 1.00 0.00 H new ATOM 0 HB THR A 96 11.824 -5.981 1.347 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.404 -7.272 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.979 -6.302 2.503 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.603 -6.430 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.433 -7.901 3.065 1.00 0.00 H new ATOM 1538 N LEU A 97 9.199 -6.341 2.821 1.00 0.00 N ATOM 1539 CA LEU A 97 8.429 -5.626 3.838 1.00 0.00 C ATOM 1540 C LEU A 97 7.680 -6.584 4.766 1.00 0.00 C ATOM 1541 O LEU A 97 7.604 -6.353 5.973 1.00 0.00 O ATOM 1542 CB LEU A 97 7.435 -4.673 3.164 1.00 0.00 C ATOM 1543 CG LEU A 97 7.143 -3.368 3.918 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.260 -2.460 3.078 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.484 -3.650 5.260 1.00 0.00 C ATOM 0 H LEU A 97 8.910 -6.142 1.863 1.00 0.00 H new ATOM 0 HA LEU A 97 9.133 -5.058 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.816 -4.421 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.494 -5.204 3.017 1.00 0.00 H new ATOM 0 HG LEU A 97 8.091 -2.864 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.061 -1.538 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.767 -2.224 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.318 -2.965 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.288 -2.709 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.544 -4.179 5.100 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.147 -4.265 5.869 1.00 0.00 H new ATOM 1557 N GLN A 98 7.132 -7.658 4.201 1.00 0.00 N ATOM 1558 CA GLN A 98 6.369 -8.628 4.985 1.00 0.00 C ATOM 1559 C GLN A 98 7.149 -9.106 6.208 1.00 0.00 C ATOM 1560 O GLN A 98 6.567 -9.354 7.264 1.00 0.00 O ATOM 1561 CB GLN A 98 5.961 -9.823 4.118 1.00 0.00 C ATOM 1562 CG GLN A 98 7.111 -10.749 3.762 1.00 0.00 C ATOM 1563 CD GLN A 98 6.726 -11.790 2.726 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.792 -11.438 1.850 1.00 0.00 O flip ATOM 1565 NE2 GLN A 98 7.265 -12.896 2.713 1.00 0.00 N flip ATOM 0 H GLN A 98 7.201 -7.878 3.208 1.00 0.00 H new ATOM 0 HA GLN A 98 5.470 -8.124 5.339 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.196 -10.395 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.507 -9.454 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.945 -10.157 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 98 7.460 -11.252 4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 98 7.978 -13.124 3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 98 6.999 -13.585 2.010 1.00 0.00 H new ATOM 1574 N HIS A 99 8.462 -9.235 6.064 1.00 0.00 N ATOM 1575 CA HIS A 99 9.305 -9.674 7.169 1.00 0.00 C ATOM 1576 C HIS A 99 9.660 -8.493 8.064 1.00 0.00 C ATOM 1577 O HIS A 99 9.617 -8.588 9.294 1.00 0.00 O ATOM 1578 CB HIS A 99 10.584 -10.329 6.639 1.00 0.00 C ATOM 1579 CG HIS A 99 10.329 -11.442 5.668 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.874 -12.686 6.053 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.465 -11.494 4.322 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.742 -13.454 4.986 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.093 -12.754 3.923 1.00 0.00 N ATOM 0 H HIS A 99 8.964 -9.043 5.197 1.00 0.00 H new ATOM 0 HA HIS A 99 8.751 -10.408 7.754 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.198 -9.569 6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.160 -10.716 7.480 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.803 -10.693 3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.404 -14.480 4.984 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.089 -13.094 2.961 1.00 0.00 H new ATOM 1592 N HIS A 100 9.979 -7.371 7.432 1.00 0.00 N ATOM 1593 CA HIS A 100 10.351 -6.164 8.156 1.00 0.00 C ATOM 1594 C HIS A 100 9.141 -5.560 8.855 1.00 0.00 C ATOM 1595 O HIS A 100 9.244 -4.525 9.515 1.00 0.00 O ATOM 1596 CB HIS A 100 10.981 -5.149 7.204 1.00 0.00 C ATOM 1597 CG HIS A 100 12.347 -5.548 6.739 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.683 -6.847 6.420 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.470 -4.815 6.552 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.953 -6.896 6.058 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.452 -5.676 6.129 1.00 0.00 N ATOM 0 H HIS A 100 9.987 -7.272 6.417 1.00 0.00 H new ATOM 0 HA HIS A 100 11.085 -6.431 8.917 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.332 -5.021 6.338 1.00 0.00 H new ATOM 0 HB3 HIS A 100 11.042 -4.182 7.702 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.574 -3.751 6.707 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.491 -7.783 5.756 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.412 -5.415 5.906 1.00 0.00 H new ATOM 1610 N LYS A 101 7.994 -6.214 8.702 1.00 0.00 N ATOM 1611 CA LYS A 101 6.764 -5.759 9.331 1.00 0.00 C ATOM 1612 C LYS A 101 6.908 -5.797 10.848 1.00 0.00 C ATOM 1613 O LYS A 101 6.217 -5.074 11.568 1.00 0.00 O ATOM 1614 CB LYS A 101 5.590 -6.638 8.892 1.00 0.00 C ATOM 1615 CG LYS A 101 4.256 -6.227 9.495 1.00 0.00 C ATOM 1616 CD LYS A 101 3.141 -7.181 9.092 1.00 0.00 C ATOM 1617 CE LYS A 101 3.344 -8.566 9.689 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.279 -9.516 9.266 1.00 0.00 N ATOM 0 H LYS A 101 7.893 -7.063 8.146 1.00 0.00 H new ATOM 0 HA LYS A 101 6.569 -4.733 9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.512 -6.607 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.799 -7.672 9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.339 -6.202 10.582 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.006 -5.217 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.182 -6.780 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.100 -7.255 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.317 -8.953 9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.355 -8.494 10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.454 -10.447 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.353 -9.160 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.285 -9.605 8.230 1.00 0.00 H new ATOM 1632 N ASP A 102 7.816 -6.645 11.325 1.00 0.00 N ATOM 1633 CA ASP A 102 8.057 -6.780 12.757 1.00 0.00 C ATOM 1634 C ASP A 102 8.710 -5.521 13.321 1.00 0.00 C ATOM 1635 O ASP A 102 8.663 -5.271 14.525 1.00 0.00 O ATOM 1636 CB ASP A 102 8.942 -7.996 13.034 1.00 0.00 C ATOM 1637 CG ASP A 102 9.230 -8.177 14.512 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.401 -8.799 15.205 1.00 0.00 O ATOM 1639 OD2 ASP A 102 10.287 -7.695 14.973 1.00 0.00 O ATOM 0 H ASP A 102 8.396 -7.248 10.741 1.00 0.00 H new ATOM 0 HA ASP A 102 7.095 -6.920 13.250 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.455 -8.892 12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.883 -7.888 12.494 1.00 0.00 H new ATOM 1644 N GLU A 103 9.320 -4.731 12.442 1.00 0.00 N ATOM 1645 CA GLU A 103 9.984 -3.498 12.850 1.00 0.00 C ATOM 1646 C GLU A 103 9.119 -2.280 12.533 1.00 0.00 C ATOM 1647 O GLU A 103 8.723 -1.537 13.432 1.00 0.00 O ATOM 1648 CB GLU A 103 11.341 -3.370 12.154 1.00 0.00 C ATOM 1649 CG GLU A 103 12.124 -2.136 12.573 1.00 0.00 C ATOM 1650 CD GLU A 103 13.445 -2.008 11.840 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.462 -1.401 10.748 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.463 -2.515 12.357 1.00 0.00 O ATOM 0 H GLU A 103 9.368 -4.924 11.441 1.00 0.00 H new ATOM 0 HA GLU A 103 10.138 -3.539 13.928 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.936 -4.258 12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.186 -3.343 11.075 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.521 -1.247 12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.310 -2.175 13.646 1.00 0.00 H new ATOM 1659 N VAL A 104 8.832 -2.080 11.249 1.00 0.00 N ATOM 1660 CA VAL A 104 8.016 -0.953 10.811 1.00 0.00 C ATOM 1661 C VAL A 104 6.632 -0.999 11.454 1.00 0.00 C ATOM 1662 O VAL A 104 6.180 -2.054 11.899 1.00 0.00 O ATOM 1663 CB VAL A 104 7.869 -0.933 9.275 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.987 -2.079 8.804 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.319 0.404 8.801 1.00 0.00 C ATOM 0 H VAL A 104 9.153 -2.685 10.494 1.00 0.00 H new ATOM 0 HA VAL A 104 8.526 -0.043 11.127 1.00 0.00 H new ATOM 0 HB VAL A 104 8.859 -1.064 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.897 -2.046 7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.433 -3.028 9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.998 -1.986 9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.224 0.394 7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.340 0.574 9.249 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.998 1.203 9.099 1.00 0.00 H new ATOM 1675 N ALA A 105 5.965 0.151 11.500 1.00 0.00 N ATOM 1676 CA ALA A 105 4.635 0.242 12.090 1.00 0.00 C ATOM 1677 C ALA A 105 3.672 -0.741 11.431 1.00 0.00 C ATOM 1678 O ALA A 105 3.271 -0.554 10.283 1.00 0.00 O ATOM 1679 CB ALA A 105 4.103 1.663 11.972 1.00 0.00 C ATOM 0 H ALA A 105 6.325 1.033 11.135 1.00 0.00 H new ATOM 0 HA ALA A 105 4.714 -0.020 13.145 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.109 1.717 12.416 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.772 2.347 12.495 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.046 1.944 10.920 1.00 0.00 H new ATOM 1685 N GLY A 106 3.308 -1.789 12.165 1.00 0.00 N ATOM 1686 CA GLY A 106 2.395 -2.785 11.634 1.00 0.00 C ATOM 1687 C GLY A 106 1.023 -2.214 11.338 1.00 0.00 C ATOM 1688 O GLY A 106 0.338 -2.668 10.422 1.00 0.00 O ATOM 0 H GLY A 106 3.629 -1.966 13.117 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.814 -3.207 10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.299 -3.603 12.348 1.00 0.00 H new ATOM 1692 N ASP A 107 0.622 -1.215 12.117 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.677 -0.578 11.940 1.00 0.00 C ATOM 1694 C ASP A 107 -0.757 0.150 10.601 1.00 0.00 C ATOM 1695 O ASP A 107 -1.783 0.107 9.923 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.943 0.403 13.081 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.883 -0.263 14.442 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -1.930 -0.763 14.904 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.211 -0.288 15.043 1.00 0.00 O ATOM 0 H ASP A 107 1.180 -0.829 12.879 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.438 -1.359 11.951 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.211 1.209 13.041 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.924 0.857 12.945 1.00 0.00 H new ATOM 1704 N ILE A 108 0.330 0.816 10.224 1.00 0.00 N ATOM 1705 CA ILE A 108 0.370 1.555 8.967 1.00 0.00 C ATOM 1706 C ILE A 108 0.378 0.610 7.769 1.00 0.00 C ATOM 1707 O ILE A 108 -0.407 0.776 6.835 1.00 0.00 O ATOM 1708 CB ILE A 108 1.606 2.479 8.893 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.538 3.546 9.989 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.709 3.127 7.518 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.776 4.413 10.077 1.00 0.00 C ATOM 0 H ILE A 108 1.191 0.859 10.768 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.531 2.167 8.934 1.00 0.00 H new ATOM 0 HB ILE A 108 2.500 1.876 9.053 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.672 4.183 9.809 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.380 3.057 10.950 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.586 3.774 7.485 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.801 2.352 6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.814 3.719 7.327 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.652 5.144 10.876 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.644 3.788 10.288 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.925 4.932 9.130 1.00 0.00 H new ATOM 1723 N PHE A 109 1.262 -0.384 7.801 1.00 0.00 N ATOM 1724 CA PHE A 109 1.359 -1.345 6.708 1.00 0.00 C ATOM 1725 C PHE A 109 0.088 -2.175 6.595 1.00 0.00 C ATOM 1726 O PHE A 109 -0.270 -2.619 5.506 1.00 0.00 O ATOM 1727 CB PHE A 109 2.568 -2.268 6.885 1.00 0.00 C ATOM 1728 CG PHE A 109 2.722 -3.261 5.763 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.709 -2.839 4.441 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.867 -4.613 6.028 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.840 -3.746 3.405 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.998 -5.525 4.996 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.983 -5.092 3.684 1.00 0.00 C ATOM 0 H PHE A 109 1.917 -0.544 8.567 1.00 0.00 H new ATOM 0 HA PHE A 109 1.489 -0.776 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.472 -1.663 6.954 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.472 -2.806 7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.595 -1.788 4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.878 -4.959 7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.831 -3.403 2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.112 -6.576 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.083 -5.804 2.878 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.591 -2.380 7.722 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.822 -3.168 7.744 1.00 0.00 C ATOM 1745 C ASP A 110 -2.775 -2.717 6.643 1.00 0.00 C ATOM 1746 O ASP A 110 -3.565 -3.509 6.130 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.503 -3.047 9.108 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.794 -3.838 9.184 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.729 -5.053 9.469 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.869 -3.244 8.958 1.00 0.00 O ATOM 0 H ASP A 110 -0.310 -2.012 8.631 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.561 -4.212 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.821 -3.396 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.711 -1.997 9.315 1.00 0.00 H new ATOM 1755 N MET A 111 -2.695 -1.439 6.283 1.00 0.00 N ATOM 1756 CA MET A 111 -3.538 -0.893 5.228 1.00 0.00 C ATOM 1757 C MET A 111 -3.065 -1.406 3.871 1.00 0.00 C ATOM 1758 O MET A 111 -3.854 -1.919 3.075 1.00 0.00 O ATOM 1759 CB MET A 111 -3.496 0.637 5.254 1.00 0.00 C ATOM 1760 CG MET A 111 -4.343 1.288 4.172 1.00 0.00 C ATOM 1761 SD MET A 111 -4.059 3.065 4.045 1.00 0.00 S ATOM 1762 CE MET A 111 -2.338 3.101 3.545 1.00 0.00 C ATOM 0 H MET A 111 -2.057 -0.765 6.706 1.00 0.00 H new ATOM 0 HA MET A 111 -4.566 -1.217 5.394 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.837 0.985 6.229 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.463 0.966 5.142 1.00 0.00 H new ATOM 0 HG2 MET A 111 -4.124 0.819 3.213 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.397 1.106 4.382 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.159 3.976 2.920 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.703 3.151 4.430 1.00 0.00 H new ATOM 0 HE3 MET A 111 -2.104 2.198 2.981 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.766 -1.268 3.625 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.163 -1.713 2.376 1.00 0.00 C ATOM 1774 C LEU A 112 -1.221 -3.232 2.263 1.00 0.00 C ATOM 1775 O LEU A 112 -1.177 -3.787 1.168 1.00 0.00 O ATOM 1776 CB LEU A 112 0.288 -1.234 2.290 1.00 0.00 C ATOM 1777 CG LEU A 112 0.478 0.282 2.400 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.956 0.632 2.467 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.181 0.991 1.227 1.00 0.00 C ATOM 0 H LEU A 112 -1.107 -0.848 4.281 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.727 -1.283 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.861 -1.715 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.710 -1.570 1.343 1.00 0.00 H new ATOM 0 HG LEU A 112 0.000 0.620 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.071 1.713 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.403 0.156 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.455 0.278 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.035 2.067 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.267 0.646 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.248 0.769 1.221 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.328 -3.894 3.410 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.386 -5.349 3.466 1.00 0.00 C ATOM 1793 C LEU A 113 -2.446 -5.889 2.511 1.00 0.00 C ATOM 1794 O LEU A 113 -2.352 -7.023 2.038 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.672 -5.815 4.895 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.597 -7.328 5.114 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.210 -7.856 4.773 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -1.959 -7.677 6.549 1.00 0.00 C ATOM 0 H LEU A 113 -1.377 -3.440 4.322 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.417 -5.740 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.963 -5.331 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.666 -5.472 5.180 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.317 -7.804 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.180 -8.933 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.014 -7.641 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.530 -7.372 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.900 -8.757 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.263 -7.186 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.973 -7.339 6.761 1.00 0.00 H new ATOM 1810 N THR A 114 -3.462 -5.073 2.240 1.00 0.00 N ATOM 1811 CA THR A 114 -4.543 -5.460 1.339 1.00 0.00 C ATOM 1812 C THR A 114 -4.025 -5.792 -0.064 1.00 0.00 C ATOM 1813 O THR A 114 -4.807 -6.118 -0.955 1.00 0.00 O ATOM 1814 CB THR A 114 -5.600 -4.347 1.226 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.008 -3.159 0.684 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.207 -4.038 2.587 1.00 0.00 C ATOM 0 H THR A 114 -3.559 -4.137 2.633 1.00 0.00 H new ATOM 0 HA THR A 114 -4.997 -6.353 1.769 1.00 0.00 H new ATOM 0 HB THR A 114 -6.390 -4.695 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.582 -2.648 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.951 -3.249 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.682 -4.934 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.423 -3.709 3.269 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.708 -5.709 -0.255 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.104 -6.011 -1.550 1.00 0.00 C ATOM 1826 C PHE A 115 -2.312 -7.477 -1.915 1.00 0.00 C ATOM 1827 O PHE A 115 -2.223 -7.853 -3.085 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.602 -5.691 -1.534 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.271 -4.234 -1.735 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.943 -3.476 -2.684 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.721 -3.625 -0.980 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.633 -2.141 -2.873 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.033 -2.291 -1.165 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.356 -1.549 -2.112 1.00 0.00 C ATOM 0 H PHE A 115 -2.043 -5.436 0.468 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.592 -5.388 -2.300 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.184 -6.017 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.111 -6.273 -2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.717 -3.934 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.256 -4.200 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.164 -1.562 -3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.806 -1.829 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.599 -0.507 -2.258 1.00 0.00 H new ATOM 1844 N THR A 116 -2.591 -8.302 -0.908 1.00 0.00 N ATOM 1845 CA THR A 116 -2.814 -9.728 -1.128 1.00 0.00 C ATOM 1846 C THR A 116 -3.877 -10.274 -0.177 1.00 0.00 C ATOM 1847 O THR A 116 -4.555 -11.255 -0.489 1.00 0.00 O ATOM 1848 CB THR A 116 -1.516 -10.537 -0.944 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.774 -11.933 -1.135 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.929 -10.310 0.440 1.00 0.00 C ATOM 0 H THR A 116 -2.668 -8.008 0.066 1.00 0.00 H new ATOM 0 HA THR A 116 -3.159 -9.836 -2.156 1.00 0.00 H new ATOM 0 HB THR A 116 -0.796 -10.197 -1.688 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.943 -12.438 -1.017 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.013 -10.891 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.704 -9.251 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.648 -10.624 1.196 1.00 0.00 H new ATOM 1858 N ASP A 117 -4.017 -9.637 0.982 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.996 -10.065 1.976 1.00 0.00 C ATOM 1860 C ASP A 117 -6.392 -9.557 1.628 1.00 0.00 C ATOM 1861 O ASP A 117 -6.803 -8.484 2.071 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.589 -9.573 3.367 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.301 -10.210 3.850 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.226 -9.835 3.338 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.367 -11.084 4.741 1.00 0.00 O ATOM 0 H ASP A 117 -3.466 -8.824 1.256 1.00 0.00 H new ATOM 0 HA ASP A 117 -5.021 -11.155 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.470 -8.490 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.388 -9.792 4.075 1.00 0.00 H new ATOM 1870 N PHE A 118 -7.116 -10.339 0.832 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.465 -9.974 0.419 1.00 0.00 C ATOM 1872 C PHE A 118 -9.384 -9.827 1.627 1.00 0.00 C ATOM 1873 O PHE A 118 -10.341 -9.053 1.601 1.00 0.00 O ATOM 1874 CB PHE A 118 -9.027 -11.023 -0.542 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.386 -10.678 -1.081 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.516 -9.864 -2.193 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.532 -11.164 -0.473 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.764 -9.540 -2.691 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.783 -10.845 -0.965 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.899 -10.033 -2.075 1.00 0.00 C ATOM 0 H PHE A 118 -6.789 -11.231 0.460 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.414 -9.013 -0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.336 -11.147 -1.375 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -9.082 -11.982 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.632 -9.477 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.446 -11.800 0.396 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.852 -8.903 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.669 -11.230 -0.482 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.876 -9.783 -2.462 1.00 0.00 H new ATOM 1890 N LEU A 119 -9.086 -10.575 2.685 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.886 -10.529 3.903 1.00 0.00 C ATOM 1892 C LEU A 119 -9.760 -9.169 4.581 1.00 0.00 C ATOM 1893 O LEU A 119 -10.729 -8.653 5.138 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.461 -11.639 4.870 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.901 -13.056 4.483 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -11.414 -13.129 4.335 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -9.216 -13.504 3.200 1.00 0.00 C ATOM 0 H LEU A 119 -8.297 -11.220 2.723 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.929 -10.685 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.374 -11.626 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.862 -11.410 5.857 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.602 -13.733 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.704 -14.143 4.060 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.885 -12.860 5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.737 -12.436 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.544 -14.512 2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.477 -12.822 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.136 -13.499 3.344 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.563 -8.594 4.529 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.316 -7.291 5.134 1.00 0.00 C ATOM 1911 C ALA A 120 -8.905 -6.179 4.273 1.00 0.00 C ATOM 1912 O ALA A 120 -9.256 -5.109 4.772 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.823 -7.075 5.336 1.00 0.00 C ATOM 0 H ALA A 120 -7.750 -9.010 4.075 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.805 -7.265 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.655 -6.098 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.428 -7.851 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.315 -7.121 4.373 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.007 -6.445 2.975 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.555 -5.482 2.027 1.00 0.00 C ATOM 1921 C PHE A 121 -11.054 -5.301 2.257 1.00 0.00 C ATOM 1922 O PHE A 121 -11.537 -4.184 2.469 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.290 -5.971 0.601 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.464 -4.923 -0.465 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.795 -3.711 -0.387 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.287 -5.162 -1.555 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -8.945 -2.757 -1.377 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.441 -4.210 -2.545 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.769 -3.007 -2.456 1.00 0.00 C ATOM 0 H PHE A 121 -8.715 -7.327 2.553 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.070 -4.517 2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.273 -6.359 0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.960 -6.803 0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.150 -3.510 0.456 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.813 -6.102 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.418 -1.817 -1.306 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.087 -4.407 -3.388 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.888 -2.263 -3.229 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.782 -6.414 2.235 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.222 -6.390 2.446 1.00 0.00 C ATOM 1941 C LYS A 122 -13.548 -5.877 3.843 1.00 0.00 C ATOM 1942 O LYS A 122 -14.398 -5.004 4.011 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.811 -7.790 2.254 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.318 -7.848 2.439 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.848 -9.260 2.249 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.350 -9.323 2.472 1.00 0.00 C ATOM 1947 NZ LYS A 122 -18.090 -8.453 1.516 1.00 0.00 N ATOM 0 H LYS A 122 -11.396 -7.344 2.073 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.665 -5.716 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.562 -8.145 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.340 -8.473 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.577 -7.492 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.799 -7.178 1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.613 -9.606 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.347 -9.935 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.690 -10.353 2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.579 -9.017 3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -19.111 -8.625 1.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.887 -7.455 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.789 -8.670 0.544 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.863 -6.426 4.841 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.072 -6.025 6.228 1.00 0.00 C ATOM 1963 C GLU A 123 -12.857 -4.525 6.393 1.00 0.00 C ATOM 1964 O GLU A 123 -13.529 -3.876 7.195 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.123 -6.793 7.151 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.342 -6.505 8.627 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.401 -7.292 9.518 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -11.744 -8.437 9.880 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -10.320 -6.763 9.854 1.00 0.00 O ATOM 0 H GLU A 123 -12.157 -7.151 4.715 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.101 -6.261 6.500 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.246 -7.862 6.976 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.095 -6.543 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.204 -5.439 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.372 -6.744 8.891 1.00 0.00 H new ATOM 1976 N MET A 124 -11.917 -3.980 5.627 1.00 0.00 N ATOM 1977 CA MET A 124 -11.616 -2.555 5.683 1.00 0.00 C ATOM 1978 C MET A 124 -12.835 -1.728 5.290 1.00 0.00 C ATOM 1979 O MET A 124 -13.195 -0.771 5.978 1.00 0.00 O ATOM 1980 CB MET A 124 -10.439 -2.224 4.763 1.00 0.00 C ATOM 1981 CG MET A 124 -10.055 -0.754 4.765 1.00 0.00 C ATOM 1982 SD MET A 124 -8.735 -0.381 3.596 1.00 0.00 S ATOM 1983 CE MET A 124 -9.510 -0.836 2.046 1.00 0.00 C ATOM 0 H MET A 124 -11.351 -4.504 4.960 1.00 0.00 H new ATOM 0 HA MET A 124 -11.345 -2.305 6.709 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.575 -2.816 5.066 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.690 -2.523 3.745 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.931 -0.153 4.522 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.739 -0.466 5.768 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.011 -0.322 1.225 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.430 -1.913 1.902 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.562 -0.550 2.067 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.471 -2.102 4.182 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.653 -1.386 3.707 1.00 0.00 C ATOM 1995 C PHE A 125 -15.842 -1.591 4.640 1.00 0.00 C ATOM 1996 O PHE A 125 -16.620 -0.668 4.874 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.018 -1.834 2.292 1.00 0.00 C ATOM 1998 CG PHE A 125 -13.986 -1.464 1.270 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.765 -0.136 0.937 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.232 -2.442 0.647 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.810 0.206 -0.001 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.277 -2.106 -0.290 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.065 -0.781 -0.615 1.00 0.00 C ATOM 0 H PHE A 125 -13.190 -2.891 3.600 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.410 -0.323 3.694 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.156 -2.915 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.973 -1.389 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.345 0.639 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.393 -3.480 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.647 1.243 -0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.695 -2.879 -0.769 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.317 -0.517 -1.348 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.978 -2.803 5.168 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.076 -3.119 6.076 1.00 0.00 C ATOM 2015 C LEU A 126 -16.995 -2.274 7.343 1.00 0.00 C ATOM 2016 O LEU A 126 -18.017 -1.873 7.900 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.065 -4.608 6.433 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.932 -5.502 5.539 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.485 -5.414 4.087 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.884 -6.942 6.025 1.00 0.00 C ATOM 0 H LEU A 126 -15.344 -3.581 4.984 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.012 -2.887 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.037 -4.967 6.390 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.399 -4.720 7.464 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.961 -5.148 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.115 -6.057 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.572 -4.384 3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.447 -5.738 4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.504 -7.564 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.855 -7.302 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.258 -6.994 7.048 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.773 -2.006 7.793 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.560 -1.204 8.993 1.00 0.00 C ATOM 2034 C ASP A 127 -15.907 0.257 8.729 1.00 0.00 C ATOM 2035 O ASP A 127 -16.480 0.935 9.583 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.109 -1.317 9.459 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.851 -0.542 10.735 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.543 0.665 10.645 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.959 -1.142 11.826 1.00 0.00 O ATOM 0 H ASP A 127 -14.916 -2.332 7.345 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.214 -1.584 9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.862 -2.367 9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.448 -0.950 8.674 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.555 0.735 7.539 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.826 2.115 7.158 1.00 0.00 C ATOM 2046 C TYR A 128 -17.328 2.377 7.108 1.00 0.00 C ATOM 2047 O TYR A 128 -17.803 3.414 7.573 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.193 2.421 5.797 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.460 3.825 5.301 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.744 4.906 5.800 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.427 4.067 4.335 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.986 6.190 5.348 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.675 5.348 3.878 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.952 6.406 4.388 1.00 0.00 C ATOM 2055 OH TYR A 128 -16.195 7.682 3.935 1.00 0.00 O ATOM 0 H TYR A 128 -15.081 0.185 6.822 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.387 2.771 7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.116 2.269 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.570 1.709 5.063 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.987 4.741 6.552 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.995 3.241 3.934 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.421 7.020 5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.431 5.519 3.126 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.905 7.660 3.259 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.071 1.430 6.544 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.519 1.561 6.437 1.00 0.00 C ATOM 2067 C ARG A 129 -20.168 1.525 7.817 1.00 0.00 C ATOM 2068 O ARG A 129 -21.092 2.287 8.098 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.095 0.450 5.557 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.596 0.563 5.347 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.128 -0.568 4.481 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.571 -0.469 4.279 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.258 -1.261 3.460 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.637 -2.210 2.773 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.569 -1.103 3.329 1.00 0.00 N ATOM 0 H ARG A 129 -17.695 0.565 6.155 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.738 2.524 5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.597 0.470 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.871 -0.516 6.010 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.101 0.550 6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.827 1.520 4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.625 -0.552 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.892 -1.524 4.948 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.081 0.248 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.629 -2.335 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.167 -2.815 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.050 -0.374 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.096 -1.710 2.701 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.678 0.633 8.674 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.208 0.501 10.026 1.00 0.00 C ATOM 2091 C ALA A 130 -19.991 1.784 10.822 1.00 0.00 C ATOM 2092 O ALA A 130 -20.740 2.085 11.751 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.562 -0.681 10.734 1.00 0.00 C ATOM 0 H ALA A 130 -18.915 -0.008 8.455 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.281 0.322 9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.967 -0.767 11.742 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.771 -1.596 10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -18.484 -0.528 10.788 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.959 2.535 10.450 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.640 3.788 11.125 1.00 0.00 C ATOM 2101 C GLU A 131 -19.665 4.868 10.789 1.00 0.00 C ATOM 2102 O GLU A 131 -19.822 5.840 11.529 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.238 4.258 10.730 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.775 5.496 11.479 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.402 5.964 11.037 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.399 5.453 11.577 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.331 6.841 10.150 1.00 0.00 O ATOM 0 H GLU A 131 -18.329 2.297 9.684 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.669 3.610 12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.529 3.449 10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.222 4.464 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.496 6.300 11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.756 5.284 12.548 1.00 0.00 H new