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 80 GLN : amide:sc= -0.089 K(o=-0.13,f=-0.95) USER MOD Set 1.2: A 83 GLN :FLIP amide:sc= -0.0401 F(o=-2.9!,f=-0.13) USER MOD Set 2.1: A 69 TYR OH : rot 134:sc= 0.802 USER MOD Set 2.2: A 114 THR OG1 : rot -82:sc= 1.19 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 K(o=0,f=-0.71) USER MOD Single : A 41 GLN : amide:sc= -0.0225 K(o=-0.022,f=-1.7!) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 45 MET CE :methyl 157:sc= -0.26 (180deg=-0.93) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 100:sc= -0.0912 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 112:sc= 0.215 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= -0.0487 (180deg=-0.261) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.87) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0391 F(o=-1.3!,f=-0.039) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -84:sc= 1.04 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 91:sc= 1.22 USER MOD Single : A 98 GLN : amide:sc= -0.555 X(o=-0.56,f=-0.13) USER MOD Single : A 99 HIS : no HD1:sc= -0.0764 X(o=-0.076,f=0) USER MOD Single : A 100 HIS :FLIP no HE2:sc= -0.0418 F(o=-0.83,f=-0.042) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= -0.0644 (180deg=-0.32) USER MOD Single : A 111 MET CE :methyl 134:sc= -0.29 (180deg=-2.03) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 162:sc= -0.0134 (180deg=-0.503) USER MOD Single : A 124 MET CE :methyl 163:sc= -0.138 (180deg=-0.632) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 20.233 1.949 5.852 1.00 0.00 N ATOM 243 CA ALA A 19 19.501 3.195 6.050 1.00 0.00 C ATOM 244 C ALA A 19 18.474 3.416 4.945 1.00 0.00 C ATOM 245 O ALA A 19 17.496 4.140 5.132 1.00 0.00 O ATOM 246 CB ALA A 19 20.465 4.371 6.117 1.00 0.00 C ATOM 0 HA ALA A 19 18.966 3.122 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.904 5.294 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.155 4.229 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.027 4.434 5.185 1.00 0.00 H new ATOM 252 N GLU A 20 18.702 2.789 3.795 1.00 0.00 N ATOM 253 CA GLU A 20 17.798 2.923 2.656 1.00 0.00 C ATOM 254 C GLU A 20 16.374 2.522 3.023 1.00 0.00 C ATOM 255 O GLU A 20 15.421 3.211 2.664 1.00 0.00 O ATOM 256 CB GLU A 20 18.287 2.072 1.484 1.00 0.00 C ATOM 257 CG GLU A 20 19.302 2.778 0.602 1.00 0.00 C ATOM 258 CD GLU A 20 19.885 1.867 -0.459 1.00 0.00 C ATOM 259 OE1 GLU A 20 20.876 1.167 -0.162 1.00 0.00 O ATOM 260 OE2 GLU A 20 19.352 1.853 -1.589 1.00 0.00 O ATOM 0 H GLU A 20 19.505 2.183 3.626 1.00 0.00 H new ATOM 0 HA GLU A 20 17.793 3.973 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.731 1.155 1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.431 1.780 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.827 3.633 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.108 3.169 1.223 1.00 0.00 H new ATOM 267 N PHE A 21 16.233 1.409 3.738 1.00 0.00 N ATOM 268 CA PHE A 21 14.916 0.929 4.144 1.00 0.00 C ATOM 269 C PHE A 21 14.156 2.008 4.911 1.00 0.00 C ATOM 270 O PHE A 21 12.968 2.224 4.680 1.00 0.00 O ATOM 271 CB PHE A 21 15.042 -0.332 5.003 1.00 0.00 C ATOM 272 CG PHE A 21 13.718 -0.888 5.450 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.970 -1.695 4.608 1.00 0.00 C ATOM 274 CD2 PHE A 21 13.223 -0.600 6.712 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.752 -2.205 5.017 1.00 0.00 C ATOM 276 CE2 PHE A 21 12.005 -1.107 7.127 1.00 0.00 C ATOM 277 CZ PHE A 21 11.269 -1.909 6.278 1.00 0.00 C ATOM 0 H PHE A 21 17.010 0.825 4.047 1.00 0.00 H new ATOM 0 HA PHE A 21 14.356 0.685 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.575 -1.096 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.647 -0.105 5.881 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.343 -1.928 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.795 0.028 7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.178 -2.834 4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.630 -0.876 8.113 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.317 -2.305 6.599 1.00 0.00 H new ATOM 287 N ASP A 22 14.851 2.684 5.820 1.00 0.00 N ATOM 288 CA ASP A 22 14.240 3.739 6.622 1.00 0.00 C ATOM 289 C ASP A 22 13.826 4.920 5.750 1.00 0.00 C ATOM 290 O ASP A 22 12.789 5.544 5.981 1.00 0.00 O ATOM 291 CB ASP A 22 15.208 4.207 7.708 1.00 0.00 C ATOM 292 CG ASP A 22 14.578 5.215 8.649 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.969 4.790 9.653 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.692 6.429 8.380 1.00 0.00 O ATOM 0 H ASP A 22 15.838 2.520 6.020 1.00 0.00 H new ATOM 0 HA ASP A 22 13.346 3.330 7.092 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.552 3.345 8.280 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.087 4.651 7.241 1.00 0.00 H new ATOM 299 N ALA A 23 14.644 5.224 4.745 1.00 0.00 N ATOM 300 CA ALA A 23 14.366 6.332 3.839 1.00 0.00 C ATOM 301 C ALA A 23 13.098 6.083 3.031 1.00 0.00 C ATOM 302 O ALA A 23 12.237 6.958 2.925 1.00 0.00 O ATOM 303 CB ALA A 23 15.548 6.562 2.910 1.00 0.00 C ATOM 0 H ALA A 23 15.505 4.717 4.539 1.00 0.00 H new ATOM 0 HA ALA A 23 14.209 7.227 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.327 7.392 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.434 6.798 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.731 5.661 2.325 1.00 0.00 H new ATOM 309 N VAL A 24 12.990 4.886 2.462 1.00 0.00 N ATOM 310 CA VAL A 24 11.827 4.519 1.661 1.00 0.00 C ATOM 311 C VAL A 24 10.542 4.658 2.470 1.00 0.00 C ATOM 312 O VAL A 24 9.550 5.207 1.988 1.00 0.00 O ATOM 313 CB VAL A 24 11.941 3.075 1.131 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.727 2.713 0.289 1.00 0.00 C ATOM 315 CG2 VAL A 24 13.224 2.901 0.330 1.00 0.00 C ATOM 0 H VAL A 24 13.695 4.153 2.541 1.00 0.00 H new ATOM 0 HA VAL A 24 11.794 5.203 0.813 1.00 0.00 H new ATOM 0 HB VAL A 24 11.975 2.398 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.828 1.690 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.826 2.795 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.656 3.394 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 24 13.288 1.876 -0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.221 3.589 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.082 3.113 0.967 1.00 0.00 H new ATOM 325 N VAL A 25 10.565 4.159 3.703 1.00 0.00 N ATOM 326 CA VAL A 25 9.403 4.237 4.580 1.00 0.00 C ATOM 327 C VAL A 25 8.998 5.691 4.800 1.00 0.00 C ATOM 328 O VAL A 25 7.811 6.009 4.888 1.00 0.00 O ATOM 329 CB VAL A 25 9.677 3.569 5.942 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.477 3.714 6.866 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.034 2.104 5.754 1.00 0.00 C ATOM 0 H VAL A 25 11.375 3.697 4.116 1.00 0.00 H new ATOM 0 HA VAL A 25 8.589 3.702 4.091 1.00 0.00 H new ATOM 0 HB VAL A 25 10.525 4.074 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.693 3.235 7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.269 4.771 7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.608 3.239 6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.224 1.648 6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.207 1.588 5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.927 2.024 5.135 1.00 0.00 H new ATOM 341 N GLY A 26 9.993 6.568 4.887 1.00 0.00 N ATOM 342 CA GLY A 26 9.724 7.979 5.088 1.00 0.00 C ATOM 343 C GLY A 26 8.912 8.575 3.955 1.00 0.00 C ATOM 344 O GLY A 26 7.916 9.259 4.189 1.00 0.00 O ATOM 0 H GLY A 26 10.982 6.326 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.188 8.115 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.667 8.517 5.179 1.00 0.00 H new ATOM 348 N TYR A 27 9.337 8.309 2.721 1.00 0.00 N ATOM 349 CA TYR A 27 8.639 8.820 1.548 1.00 0.00 C ATOM 350 C TYR A 27 7.183 8.369 1.553 1.00 0.00 C ATOM 351 O TYR A 27 6.289 9.124 1.170 1.00 0.00 O ATOM 352 CB TYR A 27 9.331 8.349 0.264 1.00 0.00 C ATOM 353 CG TYR A 27 10.762 8.825 0.134 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.070 10.181 0.157 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.806 7.919 -0.013 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.375 10.619 0.038 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.113 8.349 -0.131 1.00 0.00 C ATOM 358 CZ TYR A 27 13.393 9.699 -0.104 1.00 0.00 C ATOM 359 OH TYR A 27 14.695 10.130 -0.222 1.00 0.00 O ATOM 0 H TYR A 27 10.159 7.744 2.510 1.00 0.00 H new ATOM 0 HA TYR A 27 8.667 9.909 1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.316 7.260 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.761 8.701 -0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.276 10.904 0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.591 6.861 -0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.597 11.676 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.912 7.631 -0.244 1.00 0.00 H new ATOM 0 HH TYR A 27 15.289 9.356 -0.313 1.00 0.00 H new ATOM 369 N LEU A 28 6.955 7.134 1.991 1.00 0.00 N ATOM 370 CA LEU A 28 5.606 6.583 2.058 1.00 0.00 C ATOM 371 C LEU A 28 4.720 7.438 2.957 1.00 0.00 C ATOM 372 O LEU A 28 3.588 7.763 2.599 1.00 0.00 O ATOM 373 CB LEU A 28 5.644 5.142 2.574 1.00 0.00 C ATOM 374 CG LEU A 28 6.319 4.135 1.639 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.479 2.788 2.327 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.519 3.984 0.353 1.00 0.00 C ATOM 0 H LEU A 28 7.687 6.497 2.305 1.00 0.00 H new ATOM 0 HA LEU A 28 5.185 6.586 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.163 5.129 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.622 4.812 2.761 1.00 0.00 H new ATOM 0 HG LEU A 28 7.311 4.512 1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.961 2.086 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.093 2.906 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.498 2.405 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.013 3.265 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.515 3.631 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.456 4.948 -0.151 1.00 0.00 H new ATOM 388 N GLU A 29 5.244 7.802 4.124 1.00 0.00 N ATOM 389 CA GLU A 29 4.502 8.623 5.075 1.00 0.00 C ATOM 390 C GLU A 29 4.077 9.943 4.439 1.00 0.00 C ATOM 391 O GLU A 29 2.957 10.410 4.647 1.00 0.00 O ATOM 392 CB GLU A 29 5.351 8.899 6.316 1.00 0.00 C ATOM 393 CG GLU A 29 5.737 7.644 7.082 1.00 0.00 C ATOM 394 CD GLU A 29 6.599 7.945 8.293 1.00 0.00 C ATOM 395 OE1 GLU A 29 6.031 8.193 9.377 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.840 7.933 8.156 1.00 0.00 O ATOM 0 H GLU A 29 6.180 7.541 4.434 1.00 0.00 H new ATOM 0 HA GLU A 29 3.608 8.073 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.258 9.424 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.802 9.566 6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.833 7.126 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.274 6.967 6.417 1.00 0.00 H new ATOM 403 N ASP A 30 4.980 10.538 3.665 1.00 0.00 N ATOM 404 CA ASP A 30 4.698 11.805 2.996 1.00 0.00 C ATOM 405 C ASP A 30 3.514 11.664 2.045 1.00 0.00 C ATOM 406 O ASP A 30 2.745 12.607 1.851 1.00 0.00 O ATOM 407 CB ASP A 30 5.931 12.289 2.229 1.00 0.00 C ATOM 408 CG ASP A 30 7.107 12.569 3.144 1.00 0.00 C ATOM 409 OD1 ASP A 30 7.114 13.639 3.789 1.00 0.00 O ATOM 410 OD2 ASP A 30 8.020 11.721 3.214 1.00 0.00 O ATOM 0 H ASP A 30 5.912 10.164 3.485 1.00 0.00 H new ATOM 0 HA ASP A 30 4.444 12.541 3.758 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.217 11.537 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.680 13.195 1.677 1.00 0.00 H new ATOM 415 N ILE A 31 3.374 10.481 1.454 1.00 0.00 N ATOM 416 CA ILE A 31 2.283 10.215 0.524 1.00 0.00 C ATOM 417 C ILE A 31 0.981 9.951 1.274 1.00 0.00 C ATOM 418 O ILE A 31 -0.094 10.356 0.834 1.00 0.00 O ATOM 419 CB ILE A 31 2.598 9.006 -0.381 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.915 9.231 -1.129 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.461 8.765 -1.366 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.417 8.005 -1.861 1.00 0.00 C ATOM 0 H ILE A 31 4.003 9.692 1.603 1.00 0.00 H new ATOM 0 HA ILE A 31 2.170 11.103 -0.098 1.00 0.00 H new ATOM 0 HB ILE A 31 2.702 8.121 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.782 10.042 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.675 9.555 -0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.701 7.908 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.540 8.566 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.327 9.648 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.353 8.241 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.584 7.198 -1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.676 7.692 -2.597 1.00 0.00 H new ATOM 434 N ILE A 32 1.088 9.273 2.412 1.00 0.00 N ATOM 435 CA ILE A 32 -0.076 8.953 3.229 1.00 0.00 C ATOM 436 C ILE A 32 -0.675 10.212 3.850 1.00 0.00 C ATOM 437 O ILE A 32 -1.884 10.288 4.078 1.00 0.00 O ATOM 438 CB ILE A 32 0.286 7.956 4.348 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.870 6.675 3.749 1.00 0.00 C ATOM 440 CG2 ILE A 32 -0.938 7.639 5.197 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.495 5.750 4.774 1.00 0.00 C ATOM 0 H ILE A 32 1.973 8.934 2.790 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.814 8.495 2.570 1.00 0.00 H new ATOM 0 HB ILE A 32 1.039 8.413 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.081 6.138 3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.623 6.942 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.664 6.934 5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.315 8.556 5.649 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.713 7.199 4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.887 4.864 4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.307 6.268 5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.741 5.452 5.502 1.00 0.00 H new ATOM 453 N MET A 33 0.176 11.198 4.117 1.00 0.00 N ATOM 454 CA MET A 33 -0.271 12.452 4.714 1.00 0.00 C ATOM 455 C MET A 33 -0.558 13.497 3.640 1.00 0.00 C ATOM 456 O MET A 33 -0.865 14.649 3.949 1.00 0.00 O ATOM 457 CB MET A 33 0.782 12.982 5.688 1.00 0.00 C ATOM 458 CG MET A 33 1.108 12.017 6.816 1.00 0.00 C ATOM 459 SD MET A 33 2.298 12.695 7.989 1.00 0.00 S ATOM 460 CE MET A 33 2.492 11.311 9.110 1.00 0.00 C ATOM 0 H MET A 33 1.178 11.153 3.930 1.00 0.00 H new ATOM 0 HA MET A 33 -1.194 12.255 5.259 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.695 13.205 5.137 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.430 13.921 6.115 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.190 11.758 7.344 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.505 11.093 6.395 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.200 11.575 9.895 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.528 11.068 9.558 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.865 10.447 8.560 1.00 0.00 H new ATOM 470 N ASP A 34 -0.458 13.088 2.379 1.00 0.00 N ATOM 471 CA ASP A 34 -0.710 13.989 1.261 1.00 0.00 C ATOM 472 C ASP A 34 -2.204 14.278 1.131 1.00 0.00 C ATOM 473 O ASP A 34 -3.027 13.364 1.162 1.00 0.00 O ATOM 474 CB ASP A 34 -0.174 13.387 -0.038 1.00 0.00 C ATOM 475 CG ASP A 34 -0.305 14.337 -1.212 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.623 15.145 -1.427 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.335 14.274 -1.913 1.00 0.00 O ATOM 0 H ASP A 34 -0.204 12.138 2.106 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.191 14.928 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.874 13.119 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.713 12.465 -0.258 1.00 0.00 H new ATOM 482 N ASP A 35 -2.544 15.555 0.981 1.00 0.00 N ATOM 483 CA ASP A 35 -3.939 15.970 0.858 1.00 0.00 C ATOM 484 C ASP A 35 -4.618 15.303 -0.336 1.00 0.00 C ATOM 485 O ASP A 35 -5.719 14.766 -0.213 1.00 0.00 O ATOM 486 CB ASP A 35 -4.032 17.491 0.724 1.00 0.00 C ATOM 487 CG ASP A 35 -3.430 18.212 1.914 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.148 18.403 2.919 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.240 18.587 1.843 1.00 0.00 O ATOM 0 H ASP A 35 -1.872 16.321 0.942 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.457 15.655 1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.520 17.805 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.077 17.781 0.617 1.00 0.00 H new ATOM 494 N GLU A 36 -3.957 15.341 -1.490 1.00 0.00 N ATOM 495 CA GLU A 36 -4.507 14.744 -2.702 1.00 0.00 C ATOM 496 C GLU A 36 -4.716 13.243 -2.525 1.00 0.00 C ATOM 497 O GLU A 36 -5.564 12.643 -3.185 1.00 0.00 O ATOM 498 CB GLU A 36 -3.586 15.008 -3.896 1.00 0.00 C ATOM 499 CG GLU A 36 -4.147 14.510 -5.219 1.00 0.00 C ATOM 500 CD GLU A 36 -5.459 15.177 -5.582 1.00 0.00 C ATOM 501 OE1 GLU A 36 -5.422 16.262 -6.198 1.00 0.00 O ATOM 502 OE2 GLU A 36 -6.524 14.614 -5.250 1.00 0.00 O ATOM 0 H GLU A 36 -3.043 15.777 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.475 15.206 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.399 16.079 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.624 14.528 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.420 14.692 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.295 13.431 -5.164 1.00 0.00 H new ATOM 509 N PHE A 37 -3.939 12.644 -1.628 1.00 0.00 N ATOM 510 CA PHE A 37 -4.041 11.213 -1.364 1.00 0.00 C ATOM 511 C PHE A 37 -5.295 10.902 -0.552 1.00 0.00 C ATOM 512 O PHE A 37 -5.949 9.882 -0.768 1.00 0.00 O ATOM 513 CB PHE A 37 -2.798 10.722 -0.621 1.00 0.00 C ATOM 514 CG PHE A 37 -2.871 9.279 -0.206 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.730 8.266 -1.141 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.083 8.938 1.120 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.797 6.939 -0.760 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.151 7.612 1.507 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.007 6.612 0.565 1.00 0.00 C ATOM 0 H PHE A 37 -3.233 13.127 -1.072 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.111 10.693 -2.319 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.925 10.864 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.649 11.338 0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.566 8.516 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.196 9.717 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.685 6.159 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.316 7.359 2.544 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.059 5.576 0.864 1.00 0.00 H new ATOM 529 N GLN A 38 -5.623 11.788 0.384 1.00 0.00 N ATOM 530 CA GLN A 38 -6.798 11.609 1.229 1.00 0.00 C ATOM 531 C GLN A 38 -8.077 11.772 0.413 1.00 0.00 C ATOM 532 O GLN A 38 -9.040 11.027 0.596 1.00 0.00 O ATOM 533 CB GLN A 38 -6.783 12.615 2.382 1.00 0.00 C ATOM 534 CG GLN A 38 -5.530 12.537 3.239 1.00 0.00 C ATOM 535 CD GLN A 38 -5.549 13.520 4.393 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.609 13.855 4.921 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.372 13.989 4.789 1.00 0.00 N ATOM 0 H GLN A 38 -5.091 12.637 0.576 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.772 10.600 1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.874 13.622 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.656 12.446 3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.425 11.525 3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.656 12.730 2.617 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.518 13.684 4.322 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.322 14.655 5.560 1.00 0.00 H new ATOM 546 N LEU A 39 -8.077 12.752 -0.484 1.00 0.00 N ATOM 547 CA LEU A 39 -9.234 13.018 -1.332 1.00 0.00 C ATOM 548 C LEU A 39 -9.432 11.895 -2.346 1.00 0.00 C ATOM 549 O LEU A 39 -10.554 11.442 -2.570 1.00 0.00 O ATOM 550 CB LEU A 39 -9.061 14.360 -2.053 1.00 0.00 C ATOM 551 CG LEU A 39 -10.315 14.903 -2.745 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.244 16.419 -2.855 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.483 14.281 -4.126 1.00 0.00 C ATOM 0 H LEU A 39 -7.287 13.377 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.121 13.067 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.717 15.100 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.273 14.253 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.182 14.635 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.142 16.790 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.172 16.853 -1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.367 16.701 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.380 14.681 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.613 14.517 -4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.576 13.199 -4.029 1.00 0.00 H new ATOM 565 N LEU A 40 -8.336 11.450 -2.955 1.00 0.00 N ATOM 566 CA LEU A 40 -8.389 10.382 -3.949 1.00 0.00 C ATOM 567 C LEU A 40 -8.848 9.070 -3.317 1.00 0.00 C ATOM 568 O LEU A 40 -9.684 8.361 -3.876 1.00 0.00 O ATOM 569 CB LEU A 40 -7.013 10.203 -4.601 1.00 0.00 C ATOM 570 CG LEU A 40 -6.956 9.204 -5.761 1.00 0.00 C ATOM 571 CD1 LEU A 40 -5.876 9.604 -6.753 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.703 7.795 -5.246 1.00 0.00 C ATOM 0 H LEU A 40 -7.400 11.813 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.113 10.662 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.673 11.173 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.306 9.884 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.920 9.216 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.849 8.884 -7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.095 10.595 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.909 9.620 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.666 7.102 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.753 7.768 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.508 7.504 -4.571 1.00 0.00 H new ATOM 584 N GLN A 41 -8.296 8.757 -2.151 1.00 0.00 N ATOM 585 CA GLN A 41 -8.639 7.526 -1.445 1.00 0.00 C ATOM 586 C GLN A 41 -10.127 7.476 -1.106 1.00 0.00 C ATOM 587 O GLN A 41 -10.816 6.516 -1.444 1.00 0.00 O ATOM 588 CB GLN A 41 -7.809 7.403 -0.164 1.00 0.00 C ATOM 589 CG GLN A 41 -8.072 6.124 0.615 1.00 0.00 C ATOM 590 CD GLN A 41 -7.638 4.880 -0.137 1.00 0.00 C ATOM 591 OE1 GLN A 41 -8.407 4.306 -0.907 1.00 0.00 O ATOM 592 NE2 GLN A 41 -6.400 4.455 0.089 1.00 0.00 N ATOM 0 H GLN A 41 -7.608 9.339 -1.673 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.412 6.688 -2.105 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.751 7.450 -0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.019 8.259 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.545 6.169 1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.136 6.054 0.842 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.797 4.963 0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.053 3.621 -0.385 1.00 0.00 H new ATOM 601 N ARG A 42 -10.614 8.518 -0.441 1.00 0.00 N ATOM 602 CA ARG A 42 -12.018 8.589 -0.046 1.00 0.00 C ATOM 603 C ARG A 42 -12.938 8.682 -1.261 1.00 0.00 C ATOM 604 O ARG A 42 -14.059 8.172 -1.239 1.00 0.00 O ATOM 605 CB ARG A 42 -12.248 9.788 0.875 1.00 0.00 C ATOM 606 CG ARG A 42 -11.472 9.709 2.178 1.00 0.00 C ATOM 607 CD ARG A 42 -11.773 10.895 3.080 1.00 0.00 C ATOM 608 NE ARG A 42 -11.044 10.821 4.344 1.00 0.00 N ATOM 609 CZ ARG A 42 -10.990 11.817 5.222 1.00 0.00 C ATOM 610 NH1 ARG A 42 -11.621 12.956 4.977 1.00 0.00 N ATOM 611 NH2 ARG A 42 -10.303 11.673 6.347 1.00 0.00 N ATOM 0 H ARG A 42 -10.057 9.326 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.259 7.670 0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.966 10.700 0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.312 9.865 1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.723 8.784 2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.404 9.675 1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.511 11.819 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.844 10.935 3.281 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.549 9.957 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.150 13.070 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.578 13.719 5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.816 10.798 6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.262 12.438 7.021 1.00 0.00 H new ATOM 625 N ASN A 43 -12.460 9.333 -2.316 1.00 0.00 N ATOM 626 CA ASN A 43 -13.248 9.498 -3.536 1.00 0.00 C ATOM 627 C ASN A 43 -13.677 8.149 -4.108 1.00 0.00 C ATOM 628 O ASN A 43 -14.850 7.945 -4.423 1.00 0.00 O ATOM 629 CB ASN A 43 -12.448 10.269 -4.587 1.00 0.00 C ATOM 630 CG ASN A 43 -13.215 10.445 -5.883 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.445 10.513 -5.886 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.493 10.520 -6.995 1.00 0.00 N ATOM 0 H ASN A 43 -11.532 9.755 -2.353 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.143 10.062 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.181 11.248 -4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.515 9.742 -4.789 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.956 10.638 -7.896 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.476 10.459 -6.948 1.00 0.00 H new ATOM 639 N PHE A 44 -12.725 7.232 -4.236 1.00 0.00 N ATOM 640 CA PHE A 44 -13.010 5.909 -4.781 1.00 0.00 C ATOM 641 C PHE A 44 -13.674 5.009 -3.742 1.00 0.00 C ATOM 642 O PHE A 44 -14.595 4.259 -4.063 1.00 0.00 O ATOM 643 CB PHE A 44 -11.727 5.258 -5.299 1.00 0.00 C ATOM 644 CG PHE A 44 -11.266 5.812 -6.618 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.625 7.039 -6.684 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.476 5.106 -7.792 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.202 7.551 -7.895 1.00 0.00 C ATOM 648 CE2 PHE A 44 -11.055 5.614 -9.006 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.418 6.838 -9.058 1.00 0.00 C ATOM 0 H PHE A 44 -11.751 7.379 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.705 6.035 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.937 5.393 -4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.889 4.185 -5.401 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.454 7.601 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.974 4.148 -7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.703 8.508 -7.932 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.224 5.054 -9.914 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.089 7.237 -10.006 1.00 0.00 H new ATOM 659 N MET A 45 -13.206 5.088 -2.500 1.00 0.00 N ATOM 660 CA MET A 45 -13.762 4.272 -1.424 1.00 0.00 C ATOM 661 C MET A 45 -15.260 4.512 -1.267 1.00 0.00 C ATOM 662 O MET A 45 -15.987 3.646 -0.779 1.00 0.00 O ATOM 663 CB MET A 45 -13.048 4.560 -0.102 1.00 0.00 C ATOM 664 CG MET A 45 -11.667 3.933 -0.005 1.00 0.00 C ATOM 665 SD MET A 45 -10.956 4.072 1.646 1.00 0.00 S ATOM 666 CE MET A 45 -12.143 3.140 2.611 1.00 0.00 C ATOM 0 H MET A 45 -12.446 5.706 -2.214 1.00 0.00 H new ATOM 0 HA MET A 45 -13.606 3.227 -1.690 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.957 5.639 0.024 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.663 4.193 0.720 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.730 2.881 -0.282 1.00 0.00 H new ATOM 0 HG3 MET A 45 -11.003 4.413 -0.724 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.670 2.786 3.527 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.989 3.779 2.863 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.494 2.287 2.031 1.00 0.00 H new ATOM 676 N ASP A 46 -15.716 5.690 -1.682 1.00 0.00 N ATOM 677 CA ASP A 46 -17.129 6.040 -1.588 1.00 0.00 C ATOM 678 C ASP A 46 -17.985 5.078 -2.407 1.00 0.00 C ATOM 679 O ASP A 46 -19.135 4.806 -2.063 1.00 0.00 O ATOM 680 CB ASP A 46 -17.354 7.475 -2.071 1.00 0.00 C ATOM 681 CG ASP A 46 -18.811 7.887 -2.003 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.539 7.664 -2.994 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.226 8.431 -0.957 1.00 0.00 O ATOM 0 H ASP A 46 -15.127 6.418 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.426 5.963 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.758 8.157 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -17.000 7.569 -3.098 1.00 0.00 H new ATOM 688 N LYS A 47 -17.413 4.570 -3.492 1.00 0.00 N ATOM 689 CA LYS A 47 -18.116 3.637 -4.366 1.00 0.00 C ATOM 690 C LYS A 47 -17.773 2.191 -4.023 1.00 0.00 C ATOM 691 O LYS A 47 -18.625 1.305 -4.093 1.00 0.00 O ATOM 692 CB LYS A 47 -17.759 3.917 -5.826 1.00 0.00 C ATOM 693 CG LYS A 47 -18.283 5.248 -6.342 1.00 0.00 C ATOM 694 CD LYS A 47 -19.802 5.267 -6.406 1.00 0.00 C ATOM 695 CE LYS A 47 -20.319 6.602 -6.918 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.804 6.628 -7.004 1.00 0.00 N ATOM 0 H LYS A 47 -16.462 4.789 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.186 3.780 -4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.675 3.897 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.157 3.115 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.936 6.052 -5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.874 5.440 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.150 4.466 -7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.212 5.072 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.980 7.400 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.895 6.802 -7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.115 7.555 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.127 5.884 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.209 6.463 -6.061 1.00 0.00 H new ATOM 710 N TYR A 48 -16.517 1.962 -3.659 1.00 0.00 N ATOM 711 CA TYR A 48 -16.046 0.626 -3.310 1.00 0.00 C ATOM 712 C TYR A 48 -16.877 0.004 -2.190 1.00 0.00 C ATOM 713 O TYR A 48 -17.396 -1.101 -2.335 1.00 0.00 O ATOM 714 CB TYR A 48 -14.574 0.676 -2.894 1.00 0.00 C ATOM 715 CG TYR A 48 -13.603 0.575 -4.050 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.601 1.517 -5.071 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.679 -0.462 -4.114 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.710 1.428 -6.124 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.785 -0.559 -5.164 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.805 0.388 -6.166 1.00 0.00 C ATOM 721 OH TYR A 48 -10.916 0.296 -7.212 1.00 0.00 O ATOM 0 H TYR A 48 -15.803 2.688 -3.598 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.156 0.000 -4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.390 1.608 -2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.377 -0.137 -2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.308 2.333 -5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.659 -1.204 -3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.722 2.169 -6.910 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.075 -1.372 -5.199 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.044 0.644 -6.932 1.00 0.00 H new ATOM 731 N TYR A 49 -17.004 0.719 -1.075 1.00 0.00 N ATOM 732 CA TYR A 49 -17.758 0.214 0.070 1.00 0.00 C ATOM 733 C TYR A 49 -19.224 -0.032 -0.288 1.00 0.00 C ATOM 734 O TYR A 49 -19.936 -0.732 0.433 1.00 0.00 O ATOM 735 CB TYR A 49 -17.639 1.178 1.260 1.00 0.00 C ATOM 736 CG TYR A 49 -18.786 2.157 1.397 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.794 3.357 0.697 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.859 1.883 2.239 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.838 4.252 0.829 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.905 2.774 2.376 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.889 3.958 1.670 1.00 0.00 C ATOM 742 OH TYR A 49 -21.929 4.848 1.803 1.00 0.00 O ATOM 0 H TYR A 49 -16.597 1.645 -0.940 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.327 -0.745 0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.566 0.594 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.709 1.739 1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.971 3.594 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.874 0.957 2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.830 5.179 0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.731 2.545 3.033 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.588 4.489 2.433 1.00 0.00 H new ATOM 752 N LEU A 50 -19.670 0.542 -1.401 1.00 0.00 N ATOM 753 CA LEU A 50 -21.052 0.373 -1.844 1.00 0.00 C ATOM 754 C LEU A 50 -21.229 -0.955 -2.573 1.00 0.00 C ATOM 755 O LEU A 50 -22.238 -1.640 -2.401 1.00 0.00 O ATOM 756 CB LEU A 50 -21.471 1.528 -2.759 1.00 0.00 C ATOM 757 CG LEU A 50 -21.622 2.884 -2.069 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.919 3.972 -3.089 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.720 2.828 -1.017 1.00 0.00 C ATOM 0 H LEU A 50 -19.098 1.126 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.689 0.374 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.734 1.624 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.419 1.271 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.681 3.123 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.023 4.930 -2.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.101 4.030 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.846 3.737 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.813 3.802 -0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.666 2.566 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.469 2.076 -0.269 1.00 0.00 H new ATOM 771 N GLU A 51 -20.241 -1.312 -3.386 1.00 0.00 N ATOM 772 CA GLU A 51 -20.283 -2.557 -4.143 1.00 0.00 C ATOM 773 C GLU A 51 -19.929 -3.750 -3.261 1.00 0.00 C ATOM 774 O GLU A 51 -20.434 -4.854 -3.464 1.00 0.00 O ATOM 775 CB GLU A 51 -19.328 -2.485 -5.335 1.00 0.00 C ATOM 776 CG GLU A 51 -19.670 -1.380 -6.322 1.00 0.00 C ATOM 777 CD GLU A 51 -21.048 -1.551 -6.931 1.00 0.00 C ATOM 778 OE1 GLU A 51 -21.157 -2.230 -7.974 1.00 0.00 O ATOM 779 OE2 GLU A 51 -22.019 -1.003 -6.366 1.00 0.00 O ATOM 0 H GLU A 51 -19.400 -0.755 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.301 -2.694 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.313 -2.332 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.338 -3.442 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.617 -0.416 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.924 -1.364 -7.117 1.00 0.00 H new ATOM 786 N PHE A 52 -19.058 -3.522 -2.282 1.00 0.00 N ATOM 787 CA PHE A 52 -18.643 -4.580 -1.369 1.00 0.00 C ATOM 788 C PHE A 52 -19.769 -4.934 -0.403 1.00 0.00 C ATOM 789 O PHE A 52 -19.873 -4.364 0.683 1.00 0.00 O ATOM 790 CB PHE A 52 -17.395 -4.158 -0.591 1.00 0.00 C ATOM 791 CG PHE A 52 -16.108 -4.439 -1.314 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.770 -3.736 -2.459 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.235 -5.407 -0.845 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.585 -3.993 -3.123 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.049 -5.669 -1.504 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.724 -4.961 -2.644 1.00 0.00 C ATOM 0 H PHE A 52 -18.627 -2.615 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.405 -5.464 -1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.455 -3.091 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.383 -4.676 0.368 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.440 -2.978 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.484 -5.964 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.333 -3.438 -4.015 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.377 -6.426 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.798 -5.164 -3.161 1.00 0.00 H new ATOM 806 N GLU A 53 -20.613 -5.875 -0.812 1.00 0.00 N ATOM 807 CA GLU A 53 -21.735 -6.309 0.013 1.00 0.00 C ATOM 808 C GLU A 53 -21.373 -7.558 0.809 1.00 0.00 C ATOM 809 O GLU A 53 -20.717 -8.464 0.295 1.00 0.00 O ATOM 810 CB GLU A 53 -22.960 -6.586 -0.861 1.00 0.00 C ATOM 811 CG GLU A 53 -23.451 -5.366 -1.625 1.00 0.00 C ATOM 812 CD GLU A 53 -24.644 -5.673 -2.511 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.432 -6.081 -3.672 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.790 -5.505 -2.042 1.00 0.00 O ATOM 0 H GLU A 53 -20.542 -6.352 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.970 -5.508 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.718 -7.376 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.768 -6.960 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.721 -4.583 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.639 -4.975 -2.238 1.00 0.00 H new ATOM 821 N ASP A 54 -21.802 -7.599 2.067 1.00 0.00 N ATOM 822 CA ASP A 54 -21.527 -8.731 2.931 1.00 0.00 C ATOM 823 C ASP A 54 -22.425 -9.914 2.582 1.00 0.00 C ATOM 824 O ASP A 54 -23.576 -9.985 3.016 1.00 0.00 O ATOM 825 CB ASP A 54 -21.726 -8.324 4.389 1.00 0.00 C ATOM 826 CG ASP A 54 -23.051 -7.626 4.622 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.129 -6.403 4.380 1.00 0.00 O ATOM 828 OD2 ASP A 54 -24.012 -8.302 5.048 1.00 0.00 O ATOM 0 H ASP A 54 -22.343 -6.855 2.508 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.492 -9.040 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.670 -9.210 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -20.913 -7.664 4.693 1.00 0.00 H new ATOM 833 N THR A 55 -21.894 -10.838 1.786 1.00 0.00 N ATOM 834 CA THR A 55 -22.646 -12.018 1.373 1.00 0.00 C ATOM 835 C THR A 55 -21.875 -13.299 1.677 1.00 0.00 C ATOM 836 O THR A 55 -20.815 -13.264 2.303 1.00 0.00 O ATOM 837 CB THR A 55 -22.970 -11.973 -0.132 1.00 0.00 C ATOM 838 OG1 THR A 55 -21.757 -11.942 -0.893 1.00 0.00 O ATOM 839 CG2 THR A 55 -23.817 -10.755 -0.469 1.00 0.00 C ATOM 0 H THR A 55 -20.945 -10.792 1.414 1.00 0.00 H new ATOM 0 HA THR A 55 -23.576 -12.016 1.941 1.00 0.00 H new ATOM 0 HB THR A 55 -23.536 -12.869 -0.386 1.00 0.00 H new ATOM 0 HG1 THR A 55 -21.660 -12.782 -1.388 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.032 -10.746 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 55 -24.752 -10.796 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.274 -9.849 -0.201 1.00 0.00 H new ATOM 847 N GLU A 56 -22.416 -14.427 1.228 1.00 0.00 N ATOM 848 CA GLU A 56 -21.783 -15.722 1.449 1.00 0.00 C ATOM 849 C GLU A 56 -21.286 -16.317 0.135 1.00 0.00 C ATOM 850 O GLU A 56 -20.588 -17.332 0.126 1.00 0.00 O ATOM 851 CB GLU A 56 -22.765 -16.684 2.121 1.00 0.00 C ATOM 852 CG GLU A 56 -24.021 -16.944 1.304 1.00 0.00 C ATOM 853 CD GLU A 56 -24.986 -17.884 2.000 1.00 0.00 C ATOM 854 OE1 GLU A 56 -24.845 -19.113 1.829 1.00 0.00 O ATOM 855 OE2 GLU A 56 -25.882 -17.392 2.718 1.00 0.00 O ATOM 0 H GLU A 56 -23.293 -14.470 0.708 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.925 -15.573 2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.261 -17.632 2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.051 -16.278 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.522 -15.997 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -23.741 -17.366 0.339 1.00 0.00 H new ATOM 862 N GLU A 57 -21.649 -15.677 -0.974 1.00 0.00 N ATOM 863 CA GLU A 57 -21.242 -16.142 -2.296 1.00 0.00 C ATOM 864 C GLU A 57 -20.330 -15.124 -2.976 1.00 0.00 C ATOM 865 O GLU A 57 -20.454 -13.920 -2.753 1.00 0.00 O ATOM 866 CB GLU A 57 -22.474 -16.404 -3.165 1.00 0.00 C ATOM 867 CG GLU A 57 -23.436 -15.229 -3.224 1.00 0.00 C ATOM 868 CD GLU A 57 -24.630 -15.495 -4.117 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.600 -16.122 -3.640 1.00 0.00 O ATOM 870 OE2 GLU A 57 -24.596 -15.078 -5.293 1.00 0.00 O ATOM 0 H GLU A 57 -22.224 -14.835 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 57 -20.686 -17.072 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -22.150 -16.649 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.002 -17.276 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -23.785 -14.999 -2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -22.906 -14.348 -3.586 1.00 0.00 H new ATOM 877 N ASN A 58 -19.415 -15.618 -3.805 1.00 0.00 N ATOM 878 CA ASN A 58 -18.480 -14.754 -4.518 1.00 0.00 C ATOM 879 C ASN A 58 -19.110 -14.194 -5.787 1.00 0.00 C ATOM 880 O ASN A 58 -19.696 -14.933 -6.579 1.00 0.00 O ATOM 881 CB ASN A 58 -17.206 -15.525 -4.869 1.00 0.00 C ATOM 882 CG ASN A 58 -16.501 -16.070 -3.643 1.00 0.00 C ATOM 883 OD1 ASN A 58 -15.649 -15.405 -3.055 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.855 -17.290 -3.251 1.00 0.00 N ATOM 0 H ASN A 58 -19.301 -16.613 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.227 -13.921 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.456 -16.349 -5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.527 -14.869 -5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.415 -17.710 -2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.567 -17.806 -3.769 1.00 0.00 H new ATOM 891 N LYS A 59 -18.988 -12.883 -5.974 1.00 0.00 N ATOM 892 CA LYS A 59 -19.543 -12.222 -7.149 1.00 0.00 C ATOM 893 C LYS A 59 -18.449 -11.940 -8.175 1.00 0.00 C ATOM 894 O LYS A 59 -17.271 -11.845 -7.829 1.00 0.00 O ATOM 895 CB LYS A 59 -20.232 -10.915 -6.749 1.00 0.00 C ATOM 896 CG LYS A 59 -21.339 -11.100 -5.725 1.00 0.00 C ATOM 897 CD LYS A 59 -22.017 -9.780 -5.393 1.00 0.00 C ATOM 898 CE LYS A 59 -23.106 -9.960 -4.346 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.143 -10.935 -4.784 1.00 0.00 N ATOM 0 H LYS A 59 -18.509 -12.258 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.280 -12.888 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.486 -10.230 -6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.648 -10.446 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.078 -11.803 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -20.926 -11.537 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.275 -9.070 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.448 -9.354 -6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.659 -10.301 -3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.576 -8.998 -4.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.088 -10.560 -4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -24.063 -11.090 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.004 -11.837 -4.286 1.00 0.00 H new ATOM 913 N LEU A 60 -18.843 -11.810 -9.438 1.00 0.00 N ATOM 914 CA LEU A 60 -17.891 -11.539 -10.509 1.00 0.00 C ATOM 915 C LEU A 60 -17.508 -10.061 -10.533 1.00 0.00 C ATOM 916 O LEU A 60 -16.519 -9.677 -11.157 1.00 0.00 O ATOM 917 CB LEU A 60 -18.478 -11.953 -11.862 1.00 0.00 C ATOM 918 CG LEU A 60 -17.530 -11.814 -13.057 1.00 0.00 C ATOM 919 CD1 LEU A 60 -16.297 -12.686 -12.871 1.00 0.00 C ATOM 920 CD2 LEU A 60 -18.248 -12.175 -14.350 1.00 0.00 C ATOM 0 H LEU A 60 -19.813 -11.888 -9.744 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.992 -12.125 -10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.803 -12.991 -11.796 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -19.367 -11.352 -12.053 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.207 -10.775 -13.118 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.637 -12.572 -13.731 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.770 -12.382 -11.967 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.599 -13.729 -12.782 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.560 -12.071 -15.189 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.600 -13.205 -14.295 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -19.098 -11.508 -14.493 1.00 0.00 H new ATOM 932 N ILE A 61 -18.294 -9.239 -9.843 1.00 0.00 N ATOM 933 CA ILE A 61 -18.042 -7.802 -9.784 1.00 0.00 C ATOM 934 C ILE A 61 -16.746 -7.505 -9.031 1.00 0.00 C ATOM 935 O ILE A 61 -16.171 -6.422 -9.162 1.00 0.00 O ATOM 936 CB ILE A 61 -19.211 -7.058 -9.104 1.00 0.00 C ATOM 937 CG1 ILE A 61 -19.087 -5.548 -9.314 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.263 -7.388 -7.618 1.00 0.00 C ATOM 939 CD1 ILE A 61 -19.309 -5.115 -10.748 1.00 0.00 C ATOM 0 H ILE A 61 -19.112 -9.544 -9.316 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.948 -7.448 -10.811 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.141 -7.392 -9.564 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.809 -5.040 -8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -18.096 -5.225 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.093 -6.854 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.404 -8.461 -7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.329 -7.085 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -19.206 -4.032 -10.821 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.571 -5.594 -11.391 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.310 -5.406 -11.065 1.00 0.00 H new ATOM 951 N TYR A 62 -16.287 -8.477 -8.248 1.00 0.00 N ATOM 952 CA TYR A 62 -15.061 -8.319 -7.475 1.00 0.00 C ATOM 953 C TYR A 62 -13.832 -8.328 -8.379 1.00 0.00 C ATOM 954 O TYR A 62 -12.765 -7.857 -7.986 1.00 0.00 O ATOM 955 CB TYR A 62 -14.940 -9.426 -6.424 1.00 0.00 C ATOM 956 CG TYR A 62 -15.965 -9.335 -5.315 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.038 -8.212 -4.498 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.857 -10.375 -5.081 1.00 0.00 C ATOM 959 CE1 TYR A 62 -16.970 -8.129 -3.480 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.791 -10.298 -4.065 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.845 -9.174 -3.269 1.00 0.00 C ATOM 962 OH TYR A 62 -18.775 -9.094 -2.258 1.00 0.00 O ATOM 0 H TYR A 62 -16.745 -9.381 -8.133 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.111 -7.353 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.038 -10.393 -6.917 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.942 -9.390 -5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.355 -7.391 -4.661 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.820 -11.257 -5.703 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.013 -7.250 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.476 -11.116 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.315 -9.912 -2.244 1.00 0.00 H new ATOM 972 N THR A 63 -13.981 -8.866 -9.587 1.00 0.00 N ATOM 973 CA THR A 63 -12.867 -8.932 -10.530 1.00 0.00 C ATOM 974 C THR A 63 -12.518 -7.548 -11.091 1.00 0.00 C ATOM 975 O THR A 63 -11.360 -7.135 -11.032 1.00 0.00 O ATOM 976 CB THR A 63 -13.161 -9.903 -11.695 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.461 -11.207 -11.181 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.975 -9.990 -12.642 1.00 0.00 C ATOM 0 H THR A 63 -14.855 -9.260 -9.934 1.00 0.00 H new ATOM 0 HA THR A 63 -12.011 -9.309 -9.970 1.00 0.00 H new ATOM 0 HB THR A 63 -14.020 -9.521 -12.247 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.648 -11.817 -11.925 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.207 -10.680 -13.453 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.765 -9.003 -13.054 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.101 -10.350 -12.099 1.00 0.00 H new ATOM 986 N PRO A 64 -13.503 -6.802 -11.642 1.00 0.00 N ATOM 987 CA PRO A 64 -13.254 -5.462 -12.188 1.00 0.00 C ATOM 988 C PRO A 64 -12.873 -4.461 -11.103 1.00 0.00 C ATOM 989 O PRO A 64 -11.957 -3.657 -11.282 1.00 0.00 O ATOM 990 CB PRO A 64 -14.590 -5.073 -12.828 1.00 0.00 C ATOM 991 CG PRO A 64 -15.605 -5.905 -12.124 1.00 0.00 C ATOM 992 CD PRO A 64 -14.916 -7.199 -11.796 1.00 0.00 C ATOM 0 HA PRO A 64 -12.420 -5.460 -12.889 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.794 -4.010 -12.703 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.589 -5.273 -13.899 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.958 -5.409 -11.220 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.477 -6.075 -12.755 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.310 -7.644 -10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.043 -7.935 -12.590 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.581 -4.514 -9.977 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.311 -3.608 -8.866 1.00 0.00 C ATOM 1002 C ILE A 65 -11.893 -3.796 -8.333 1.00 0.00 C ATOM 1003 O ILE A 65 -11.187 -2.822 -8.062 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.316 -3.814 -7.715 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.744 -3.576 -8.210 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.992 -2.883 -6.554 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.805 -3.919 -7.187 1.00 0.00 C ATOM 0 H ILE A 65 -14.342 -5.172 -9.811 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.417 -2.594 -9.252 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.237 -4.843 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.851 -2.529 -8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.912 -4.170 -9.108 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.711 -3.041 -5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.987 -3.093 -6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -14.047 -1.848 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.792 -3.725 -7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.725 -4.973 -6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.663 -3.307 -6.297 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.479 -5.050 -8.185 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.144 -5.360 -7.685 1.00 0.00 C ATOM 1021 C PHE A 66 -9.074 -4.836 -8.636 1.00 0.00 C ATOM 1022 O PHE A 66 -8.115 -4.194 -8.212 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.981 -6.869 -7.494 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.657 -7.262 -6.899 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.395 -7.042 -5.556 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.677 -7.850 -7.682 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.180 -7.402 -5.005 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.459 -8.212 -7.136 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.210 -7.989 -5.796 1.00 0.00 C ATOM 0 H PHE A 66 -12.048 -5.868 -8.404 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.022 -4.867 -6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.781 -7.234 -6.850 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.097 -7.363 -8.458 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.149 -6.584 -4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.866 -8.028 -8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.988 -7.225 -3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.703 -8.669 -7.757 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.260 -8.272 -5.367 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.246 -5.117 -9.924 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.295 -4.673 -10.938 1.00 0.00 C ATOM 1041 C ASN A 67 -8.185 -3.152 -10.952 1.00 0.00 C ATOM 1042 O ASN A 67 -7.165 -2.599 -11.359 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.715 -5.179 -12.319 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.759 -6.693 -12.391 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -8.018 -7.382 -11.690 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.630 -7.219 -13.245 1.00 0.00 N ATOM 0 H ASN A 67 -10.035 -5.650 -10.290 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.318 -5.087 -10.690 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.698 -4.777 -12.567 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.019 -4.802 -13.068 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.704 -8.232 -13.339 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.225 -6.610 -13.807 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.244 -2.482 -10.508 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.264 -1.024 -10.469 1.00 0.00 C ATOM 1055 C GLU A 68 -8.376 -0.493 -9.345 1.00 0.00 C ATOM 1056 O GLU A 68 -7.647 0.480 -9.526 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.697 -0.520 -10.284 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.812 0.995 -10.242 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.327 1.654 -11.518 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -11.136 1.794 -12.458 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -9.137 2.030 -11.577 1.00 0.00 O ATOM 0 H GLU A 68 -10.099 -2.925 -10.171 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.874 -0.655 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.314 -0.900 -11.098 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.101 -0.932 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.852 1.272 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.235 1.376 -9.399 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.449 -1.139 -8.186 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.654 -0.737 -7.028 1.00 0.00 C ATOM 1070 C TYR A 69 -6.168 -0.999 -7.267 1.00 0.00 C ATOM 1071 O TYR A 69 -5.315 -0.181 -6.920 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.125 -1.496 -5.785 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.425 -1.085 -4.509 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -7.918 -0.047 -3.728 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.277 -1.739 -4.082 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.284 0.329 -2.560 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.638 -1.370 -2.914 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.145 -0.335 -2.158 1.00 0.00 C ATOM 1079 OH TYR A 69 -5.511 0.035 -0.994 1.00 0.00 O ATOM 0 H TYR A 69 -9.052 -1.945 -8.022 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.791 0.333 -6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.197 -1.343 -5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.971 -2.563 -5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.811 0.474 -4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.877 -2.550 -4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.679 1.139 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.746 -1.889 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.294 -0.765 -0.471 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.870 -2.149 -7.861 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.494 -2.537 -8.147 1.00 0.00 C ATOM 1091 C ILE A 70 -3.892 -1.692 -9.267 1.00 0.00 C ATOM 1092 O ILE A 70 -2.681 -1.487 -9.319 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.405 -4.029 -8.534 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -5.048 -4.901 -7.449 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.957 -4.440 -8.767 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.371 -4.800 -6.097 1.00 0.00 C ATOM 0 H ILE A 70 -6.568 -2.832 -8.155 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.924 -2.367 -7.234 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.953 -4.177 -9.465 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.095 -4.617 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.032 -5.941 -7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.917 -5.495 -9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.534 -3.841 -9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.382 -4.278 -7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.884 -5.446 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.331 -5.113 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.411 -3.769 -5.746 1.00 0.00 H new ATOM 1108 N SER A 71 -4.738 -1.210 -10.167 1.00 0.00 N ATOM 1109 CA SER A 71 -4.272 -0.404 -11.291 1.00 0.00 C ATOM 1110 C SER A 71 -4.136 1.075 -10.926 1.00 0.00 C ATOM 1111 O SER A 71 -3.207 1.745 -11.374 1.00 0.00 O ATOM 1112 CB SER A 71 -5.225 -0.557 -12.479 1.00 0.00 C ATOM 1113 OG SER A 71 -4.803 0.232 -13.577 1.00 0.00 O ATOM 0 H SER A 71 -5.746 -1.361 -10.143 1.00 0.00 H new ATOM 0 HA SER A 71 -3.281 -0.770 -11.561 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.274 -1.604 -12.777 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.232 -0.263 -12.182 1.00 0.00 H new ATOM 0 HG SER A 71 -5.428 0.115 -14.323 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.060 1.585 -10.117 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.034 2.994 -9.728 1.00 0.00 C ATOM 1121 C LEU A 72 -4.203 3.248 -8.469 1.00 0.00 C ATOM 1122 O LEU A 72 -3.206 3.970 -8.509 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.457 3.504 -9.501 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.561 4.992 -9.161 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.975 5.795 -10.384 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.538 5.208 -8.016 1.00 0.00 C ATOM 0 H LEU A 72 -5.832 1.049 -9.720 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.562 3.534 -10.549 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.045 3.309 -10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.909 2.929 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.579 5.343 -8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.043 6.850 -10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.234 5.665 -11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.945 5.446 -10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.600 6.272 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.523 4.841 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.192 4.667 -7.135 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.620 2.653 -7.357 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.943 2.844 -6.075 1.00 0.00 C ATOM 1140 C VAL A 73 -2.507 2.323 -6.076 1.00 0.00 C ATOM 1141 O VAL A 73 -1.574 3.076 -5.799 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.725 2.175 -4.931 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.037 2.410 -3.594 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.156 2.690 -4.898 1.00 0.00 C ATOM 0 H VAL A 73 -5.427 2.031 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.906 3.922 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.748 1.100 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.608 1.928 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.031 1.990 -3.623 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.978 3.481 -3.399 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.697 2.208 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.151 3.769 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.646 2.463 -5.844 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.330 1.040 -6.376 1.00 0.00 N ATOM 1155 CA GLU A 74 -0.996 0.440 -6.384 1.00 0.00 C ATOM 1156 C GLU A 74 -0.029 1.249 -7.246 1.00 0.00 C ATOM 1157 O GLU A 74 1.128 1.448 -6.873 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.054 -1.003 -6.886 1.00 0.00 C ATOM 1159 CG GLU A 74 0.238 -1.776 -6.672 1.00 0.00 C ATOM 1160 CD GLU A 74 0.155 -3.201 -7.180 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.325 -4.074 -6.426 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.570 -3.446 -8.332 1.00 0.00 O ATOM 0 H GLU A 74 -3.086 0.398 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.630 0.445 -5.357 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.867 -1.523 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.293 -0.999 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.054 -1.260 -7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.479 -1.787 -5.609 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.507 1.717 -8.395 1.00 0.00 N ATOM 1170 CA LYS A 75 0.327 2.501 -9.299 1.00 0.00 C ATOM 1171 C LYS A 75 0.516 3.922 -8.781 1.00 0.00 C ATOM 1172 O LYS A 75 1.513 4.574 -9.087 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.277 2.532 -10.704 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.215 1.193 -11.420 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.606 1.324 -12.883 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.592 -0.025 -13.585 1.00 0.00 C ATOM 1177 NZ LYS A 75 -1.048 0.078 -14.998 1.00 0.00 N ATOM 0 H LYS A 75 -1.462 1.568 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 75 1.304 2.020 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.317 2.851 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.248 3.279 -11.300 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.794 0.787 -11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.880 0.484 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.600 1.764 -12.957 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.082 2.004 -13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.417 -0.437 -13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.235 -0.721 -13.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.023 -0.863 -15.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.020 0.447 -15.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.420 0.722 -15.520 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.446 4.403 -7.999 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.366 5.747 -7.441 1.00 0.00 C ATOM 1193 C TYR A 76 0.855 5.877 -6.535 1.00 0.00 C ATOM 1194 O TYR A 76 1.646 6.812 -6.671 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.639 6.080 -6.657 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.684 7.505 -6.152 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -2.215 8.523 -6.935 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.195 7.833 -4.893 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -2.256 9.826 -6.478 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.232 9.134 -4.430 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.765 10.126 -5.226 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.803 11.423 -4.767 1.00 0.00 O ATOM 0 H TYR A 76 -1.285 3.885 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.268 6.454 -8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.505 5.902 -7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.722 5.400 -5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.602 8.292 -7.916 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.779 7.058 -4.266 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.671 10.606 -7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.846 9.373 -3.450 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.419 11.463 -3.866 1.00 0.00 H new ATOM 1212 N ILE A 77 1.005 4.928 -5.616 1.00 0.00 N ATOM 1213 CA ILE A 77 2.129 4.931 -4.685 1.00 0.00 C ATOM 1214 C ILE A 77 3.443 4.659 -5.409 1.00 0.00 C ATOM 1215 O ILE A 77 4.452 5.318 -5.154 1.00 0.00 O ATOM 1216 CB ILE A 77 1.946 3.870 -3.581 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.592 4.042 -2.891 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.078 3.961 -2.566 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.237 2.901 -1.961 1.00 0.00 C ATOM 0 H ILE A 77 0.361 4.146 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 77 2.160 5.922 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 77 1.973 2.883 -4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.598 4.973 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.184 4.136 -3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.935 3.206 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.031 3.791 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.079 4.951 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.736 3.091 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.198 1.970 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.992 2.820 -1.179 1.00 0.00 H new ATOM 1231 N GLU A 78 3.421 3.683 -6.311 1.00 0.00 N ATOM 1232 CA GLU A 78 4.610 3.309 -7.068 1.00 0.00 C ATOM 1233 C GLU A 78 5.173 4.495 -7.847 1.00 0.00 C ATOM 1234 O GLU A 78 6.360 4.797 -7.755 1.00 0.00 O ATOM 1235 CB GLU A 78 4.279 2.167 -8.032 1.00 0.00 C ATOM 1236 CG GLU A 78 5.463 1.717 -8.873 1.00 0.00 C ATOM 1237 CD GLU A 78 5.118 0.562 -9.791 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.624 0.818 -10.909 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.342 -0.600 -9.392 1.00 0.00 O ATOM 0 H GLU A 78 2.590 3.136 -6.536 1.00 0.00 H new ATOM 0 HA GLU A 78 5.368 2.980 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.906 1.317 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.473 2.484 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.821 2.556 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.281 1.422 -8.215 1.00 0.00 H new ATOM 1246 N GLU A 79 4.315 5.169 -8.602 1.00 0.00 N ATOM 1247 CA GLU A 79 4.737 6.313 -9.404 1.00 0.00 C ATOM 1248 C GLU A 79 5.346 7.414 -8.540 1.00 0.00 C ATOM 1249 O GLU A 79 6.400 7.957 -8.868 1.00 0.00 O ATOM 1250 CB GLU A 79 3.557 6.870 -10.201 1.00 0.00 C ATOM 1251 CG GLU A 79 3.095 5.959 -11.327 1.00 0.00 C ATOM 1252 CD GLU A 79 1.909 6.524 -12.084 1.00 0.00 C ATOM 1253 OE1 GLU A 79 2.125 7.336 -13.007 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.762 6.154 -11.753 1.00 0.00 O ATOM 0 H GLU A 79 3.323 4.944 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 79 5.505 5.963 -10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.722 7.046 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.837 7.837 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.920 5.797 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.829 4.985 -10.916 1.00 0.00 H new ATOM 1261 N GLN A 80 4.683 7.731 -7.432 1.00 0.00 N ATOM 1262 CA GLN A 80 5.150 8.781 -6.529 1.00 0.00 C ATOM 1263 C GLN A 80 6.559 8.502 -6.003 1.00 0.00 C ATOM 1264 O GLN A 80 7.347 9.428 -5.805 1.00 0.00 O ATOM 1265 CB GLN A 80 4.184 8.934 -5.352 1.00 0.00 C ATOM 1266 CG GLN A 80 2.836 9.521 -5.737 1.00 0.00 C ATOM 1267 CD GLN A 80 2.935 10.959 -6.207 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.827 11.699 -5.795 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.012 11.362 -7.071 1.00 0.00 N ATOM 0 H GLN A 80 3.819 7.276 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 80 5.184 9.708 -7.102 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.027 7.958 -4.894 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.645 9.571 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.393 8.915 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.164 9.469 -4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.290 10.714 -7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.024 12.320 -7.420 1.00 0.00 H new ATOM 1278 N LEU A 81 6.875 7.231 -5.780 1.00 0.00 N ATOM 1279 CA LEU A 81 8.185 6.851 -5.259 1.00 0.00 C ATOM 1280 C LEU A 81 9.244 6.860 -6.354 1.00 0.00 C ATOM 1281 O LEU A 81 10.388 7.253 -6.129 1.00 0.00 O ATOM 1282 CB LEU A 81 8.117 5.463 -4.619 1.00 0.00 C ATOM 1283 CG LEU A 81 7.208 5.356 -3.392 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.101 3.911 -2.932 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.725 6.238 -2.264 1.00 0.00 C ATOM 0 H LEU A 81 6.245 6.448 -5.951 1.00 0.00 H new ATOM 0 HA LEU A 81 8.468 7.586 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.773 4.751 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.125 5.163 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 81 6.213 5.703 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.451 3.854 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.684 3.303 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.091 3.538 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.066 6.148 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.731 5.922 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.749 7.276 -2.596 1.00 0.00 H new ATOM 1297 N LEU A 82 8.844 6.429 -7.541 1.00 0.00 N ATOM 1298 CA LEU A 82 9.747 6.347 -8.681 1.00 0.00 C ATOM 1299 C LEU A 82 10.177 7.727 -9.164 1.00 0.00 C ATOM 1300 O LEU A 82 11.219 7.868 -9.805 1.00 0.00 O ATOM 1301 CB LEU A 82 9.076 5.575 -9.820 1.00 0.00 C ATOM 1302 CG LEU A 82 8.865 4.066 -9.591 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.812 3.265 -10.468 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.063 3.673 -8.131 1.00 0.00 C ATOM 0 H LEU A 82 7.890 6.128 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 82 10.644 5.818 -8.359 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.105 6.030 -10.016 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.676 5.704 -10.721 1.00 0.00 H new ATOM 0 HG LEU A 82 7.833 3.841 -9.859 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.653 2.200 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.621 3.497 -11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.842 3.522 -10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.904 2.601 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.077 3.924 -7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.349 4.213 -7.509 1.00 0.00 H new ATOM 1316 N GLN A 83 9.373 8.742 -8.862 1.00 0.00 N ATOM 1317 CA GLN A 83 9.687 10.106 -9.275 1.00 0.00 C ATOM 1318 C GLN A 83 11.059 10.534 -8.760 1.00 0.00 C ATOM 1319 O GLN A 83 11.662 11.471 -9.284 1.00 0.00 O ATOM 1320 CB GLN A 83 8.617 11.079 -8.776 1.00 0.00 C ATOM 1321 CG GLN A 83 7.272 10.908 -9.461 1.00 0.00 C ATOM 1322 CD GLN A 83 6.328 12.064 -9.195 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.554 11.962 -8.121 1.00 0.00 O flip ATOM 1324 NE2 GLN A 83 6.298 13.040 -9.945 1.00 0.00 N flip ATOM 0 H GLN A 83 8.504 8.647 -8.336 1.00 0.00 H new ATOM 0 HA GLN A 83 9.705 10.127 -10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.488 10.944 -7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.966 12.100 -8.930 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.426 10.810 -10.536 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.810 9.981 -9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.911 13.076 -10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.660 13.812 -9.752 1.00 0.00 H new ATOM 1333 N ARG A 84 11.550 9.842 -7.734 1.00 0.00 N ATOM 1334 CA ARG A 84 12.851 10.158 -7.154 1.00 0.00 C ATOM 1335 C ARG A 84 13.768 8.937 -7.154 1.00 0.00 C ATOM 1336 O ARG A 84 14.968 9.053 -6.903 1.00 0.00 O ATOM 1337 CB ARG A 84 12.682 10.683 -5.728 1.00 0.00 C ATOM 1338 CG ARG A 84 11.696 11.835 -5.617 1.00 0.00 C ATOM 1339 CD ARG A 84 11.601 12.351 -4.191 1.00 0.00 C ATOM 1340 NE ARG A 84 12.866 12.913 -3.725 1.00 0.00 N ATOM 1341 CZ ARG A 84 12.964 13.777 -2.719 1.00 0.00 C ATOM 1342 NH1 ARG A 84 11.874 14.186 -2.081 1.00 0.00 N ATOM 1343 NH2 ARG A 84 14.153 14.236 -2.351 1.00 0.00 N ATOM 0 H ARG A 84 11.067 9.061 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 84 13.312 10.931 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.349 9.867 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.652 11.008 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.005 12.645 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.712 11.507 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.823 13.112 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.301 11.537 -3.531 1.00 0.00 H new ATOM 0 HE ARG A 84 13.723 12.626 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.958 13.837 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.953 14.849 -1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.993 13.926 -2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.227 14.899 -1.579 1.00 0.00 H new ATOM 1357 N ILE A 85 13.199 7.768 -7.436 1.00 0.00 N ATOM 1358 CA ILE A 85 13.969 6.529 -7.465 1.00 0.00 C ATOM 1359 C ILE A 85 13.698 5.745 -8.751 1.00 0.00 C ATOM 1360 O ILE A 85 12.735 4.980 -8.824 1.00 0.00 O ATOM 1361 CB ILE A 85 13.641 5.633 -6.252 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.677 6.452 -4.956 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.619 4.470 -6.176 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.159 5.701 -3.749 1.00 0.00 C ATOM 0 H ILE A 85 12.208 7.653 -7.648 1.00 0.00 H new ATOM 0 HA ILE A 85 15.022 6.809 -7.425 1.00 0.00 H new ATOM 0 HB ILE A 85 12.635 5.232 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.703 6.768 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.085 7.357 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.376 3.846 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.549 3.876 -7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.634 4.854 -6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.215 6.343 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.123 5.408 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.766 4.810 -3.587 1.00 0.00 H new ATOM 1376 N PRO A 86 14.540 5.925 -9.788 1.00 0.00 N ATOM 1377 CA PRO A 86 14.374 5.229 -11.067 1.00 0.00 C ATOM 1378 C PRO A 86 14.819 3.773 -10.999 1.00 0.00 C ATOM 1379 O PRO A 86 14.629 3.009 -11.945 1.00 0.00 O ATOM 1380 CB PRO A 86 15.275 6.020 -12.013 1.00 0.00 C ATOM 1381 CG PRO A 86 16.355 6.553 -11.138 1.00 0.00 C ATOM 1382 CD PRO A 86 15.717 6.820 -9.799 1.00 0.00 C ATOM 0 HA PRO A 86 13.330 5.190 -11.379 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.679 5.384 -12.801 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.727 6.825 -12.503 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.170 5.836 -11.045 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.780 7.466 -11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.399 6.596 -8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.426 7.865 -9.695 1.00 0.00 H new ATOM 1390 N GLU A 87 15.413 3.401 -9.873 1.00 0.00 N ATOM 1391 CA GLU A 87 15.890 2.037 -9.669 1.00 0.00 C ATOM 1392 C GLU A 87 15.093 1.350 -8.565 1.00 0.00 C ATOM 1393 O GLU A 87 15.505 0.320 -8.034 1.00 0.00 O ATOM 1394 CB GLU A 87 17.377 2.043 -9.311 1.00 0.00 C ATOM 1395 CG GLU A 87 18.257 2.680 -10.374 1.00 0.00 C ATOM 1396 CD GLU A 87 19.719 2.711 -9.978 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.438 1.736 -10.281 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.146 3.712 -9.364 1.00 0.00 O ATOM 0 H GLU A 87 15.577 4.026 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 87 15.751 1.483 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.513 2.577 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.706 1.017 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.149 2.129 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.914 3.697 -10.563 1.00 0.00 H new ATOM 1405 N PHE A 88 13.945 1.931 -8.231 1.00 0.00 N ATOM 1406 CA PHE A 88 13.085 1.390 -7.186 1.00 0.00 C ATOM 1407 C PHE A 88 12.577 0.000 -7.554 1.00 0.00 C ATOM 1408 O PHE A 88 12.370 -0.309 -8.728 1.00 0.00 O ATOM 1409 CB PHE A 88 11.897 2.320 -6.943 1.00 0.00 C ATOM 1410 CG PHE A 88 11.133 2.001 -5.690 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.614 2.391 -4.451 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.935 1.307 -5.753 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.915 2.096 -3.297 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.232 1.007 -4.602 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.722 1.402 -3.372 1.00 0.00 C ATOM 0 H PHE A 88 13.588 2.779 -8.671 1.00 0.00 H new ATOM 0 HA PHE A 88 13.678 1.312 -6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.256 3.348 -6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.221 2.263 -7.796 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.546 2.932 -4.387 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.547 0.997 -6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.300 2.407 -2.337 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.300 0.464 -4.664 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.174 1.169 -2.471 1.00 0.00 H new ATOM 1425 N ASN A 89 12.378 -0.834 -6.538 1.00 0.00 N ATOM 1426 CA ASN A 89 11.882 -2.190 -6.738 1.00 0.00 C ATOM 1427 C ASN A 89 10.701 -2.465 -5.814 1.00 0.00 C ATOM 1428 O ASN A 89 10.870 -2.984 -4.711 1.00 0.00 O ATOM 1429 CB ASN A 89 12.997 -3.208 -6.488 1.00 0.00 C ATOM 1430 CG ASN A 89 14.117 -3.105 -7.507 1.00 0.00 C ATOM 1431 OD1 ASN A 89 13.767 -2.765 -8.743 1.00 0.00 O flip ATOM 1432 ND2 ASN A 89 15.284 -3.332 -7.186 1.00 0.00 N flip ATOM 0 H ASN A 89 12.554 -0.592 -5.563 1.00 0.00 H new ATOM 0 HA ASN A 89 11.547 -2.286 -7.771 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.405 -3.057 -5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.578 -4.214 -6.513 1.00 0.00 H new ATOM 0 HD21 ASN A 89 15.508 -3.590 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 89 16.027 -3.262 -7.881 1.00 0.00 H new ATOM 1439 N MET A 90 9.506 -2.103 -6.270 1.00 0.00 N ATOM 1440 CA MET A 90 8.293 -2.298 -5.483 1.00 0.00 C ATOM 1441 C MET A 90 8.013 -3.781 -5.263 1.00 0.00 C ATOM 1442 O MET A 90 7.327 -4.158 -4.313 1.00 0.00 O ATOM 1443 CB MET A 90 7.100 -1.637 -6.176 1.00 0.00 C ATOM 1444 CG MET A 90 5.843 -1.596 -5.322 1.00 0.00 C ATOM 1445 SD MET A 90 6.072 -0.673 -3.791 1.00 0.00 S ATOM 1446 CE MET A 90 4.412 -0.711 -3.120 1.00 0.00 C ATOM 0 H MET A 90 9.351 -1.672 -7.182 1.00 0.00 H new ATOM 0 HA MET A 90 8.445 -1.831 -4.510 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.372 -0.619 -6.456 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.884 -2.174 -7.099 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.033 -1.145 -5.896 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.536 -2.615 -5.085 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.392 -0.179 -2.169 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.726 -0.232 -3.819 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.107 -1.746 -2.963 1.00 0.00 H new ATOM 1456 N ALA A 91 8.548 -4.619 -6.143 1.00 0.00 N ATOM 1457 CA ALA A 91 8.351 -6.060 -6.042 1.00 0.00 C ATOM 1458 C ALA A 91 9.162 -6.647 -4.891 1.00 0.00 C ATOM 1459 O ALA A 91 8.619 -7.323 -4.015 1.00 0.00 O ATOM 1460 CB ALA A 91 8.724 -6.736 -7.353 1.00 0.00 C ATOM 0 H ALA A 91 9.121 -4.326 -6.934 1.00 0.00 H new ATOM 0 HA ALA A 91 7.296 -6.244 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.572 -7.812 -7.264 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.097 -6.346 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.771 -6.535 -7.581 1.00 0.00 H new ATOM 1466 N ALA A 92 10.466 -6.384 -4.898 1.00 0.00 N ATOM 1467 CA ALA A 92 11.354 -6.888 -3.856 1.00 0.00 C ATOM 1468 C ALA A 92 11.107 -6.177 -2.529 1.00 0.00 C ATOM 1469 O ALA A 92 11.359 -6.733 -1.460 1.00 0.00 O ATOM 1470 CB ALA A 92 12.807 -6.731 -4.280 1.00 0.00 C ATOM 0 H ALA A 92 10.930 -5.825 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 92 11.141 -7.947 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.459 -7.111 -3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.981 -7.292 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 92 13.024 -5.677 -4.453 1.00 0.00 H new ATOM 1476 N PHE A 93 10.609 -4.945 -2.604 1.00 0.00 N ATOM 1477 CA PHE A 93 10.332 -4.160 -1.406 1.00 0.00 C ATOM 1478 C PHE A 93 9.129 -4.714 -0.649 1.00 0.00 C ATOM 1479 O PHE A 93 9.167 -4.849 0.573 1.00 0.00 O ATOM 1480 CB PHE A 93 10.089 -2.693 -1.776 1.00 0.00 C ATOM 1481 CG PHE A 93 9.718 -1.831 -0.602 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.653 -1.524 0.373 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.431 -1.332 -0.473 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.312 -0.735 1.455 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.084 -0.543 0.607 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.027 -0.244 1.572 1.00 0.00 C ATOM 0 H PHE A 93 10.390 -4.471 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 93 11.203 -4.225 -0.754 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.988 -2.291 -2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.294 -2.641 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.660 -1.906 0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.691 -1.563 -1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.050 -0.503 2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.078 -0.161 0.697 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.759 0.373 2.417 1.00 0.00 H new ATOM 1496 N THR A 94 8.065 -5.033 -1.379 1.00 0.00 N ATOM 1497 CA THR A 94 6.851 -5.565 -0.768 1.00 0.00 C ATOM 1498 C THR A 94 7.094 -6.931 -0.132 1.00 0.00 C ATOM 1499 O THR A 94 6.725 -7.159 1.021 1.00 0.00 O ATOM 1500 CB THR A 94 5.707 -5.679 -1.792 1.00 0.00 C ATOM 1501 OG1 THR A 94 6.174 -6.328 -2.980 1.00 0.00 O ATOM 1502 CG2 THR A 94 5.154 -4.305 -2.137 1.00 0.00 C ATOM 0 H THR A 94 8.018 -4.933 -2.393 1.00 0.00 H new ATOM 0 HA THR A 94 6.562 -4.859 0.011 1.00 0.00 H new ATOM 0 HB THR A 94 4.908 -6.273 -1.349 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.598 -5.668 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.347 -4.409 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.771 -3.830 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.947 -3.690 -2.563 1.00 0.00 H new ATOM 1510 N THR A 95 7.711 -7.839 -0.883 1.00 0.00 N ATOM 1511 CA THR A 95 7.994 -9.178 -0.373 1.00 0.00 C ATOM 1512 C THR A 95 8.864 -9.115 0.879 1.00 0.00 C ATOM 1513 O THR A 95 8.690 -9.905 1.807 1.00 0.00 O ATOM 1514 CB THR A 95 8.686 -10.058 -1.430 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.938 -11.362 -0.893 1.00 0.00 O ATOM 1516 CG2 THR A 95 9.991 -9.431 -1.884 1.00 0.00 C ATOM 0 H THR A 95 8.023 -7.674 -1.840 1.00 0.00 H new ATOM 0 HA THR A 95 7.033 -9.628 -0.123 1.00 0.00 H new ATOM 0 HB THR A 95 8.023 -10.142 -2.291 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.377 -11.916 -1.572 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.462 -10.071 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.792 -8.451 -2.319 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.658 -9.320 -1.029 1.00 0.00 H new ATOM 1524 N THR A 96 9.798 -8.169 0.896 1.00 0.00 N ATOM 1525 CA THR A 96 10.691 -7.994 2.035 1.00 0.00 C ATOM 1526 C THR A 96 9.974 -7.292 3.187 1.00 0.00 C ATOM 1527 O THR A 96 10.283 -7.519 4.357 1.00 0.00 O ATOM 1528 CB THR A 96 11.942 -7.182 1.644 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.666 -7.864 0.614 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.852 -6.964 2.845 1.00 0.00 C ATOM 0 H THR A 96 9.956 -7.511 0.132 1.00 0.00 H new ATOM 0 HA THR A 96 11.001 -8.988 2.357 1.00 0.00 H new ATOM 0 HB THR A 96 11.612 -6.210 1.279 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.351 -7.560 -0.263 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.726 -6.389 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.310 -6.418 3.618 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.172 -7.929 3.239 1.00 0.00 H new ATOM 1538 N LEU A 97 9.012 -6.444 2.842 1.00 0.00 N ATOM 1539 CA LEU A 97 8.246 -5.701 3.837 1.00 0.00 C ATOM 1540 C LEU A 97 7.450 -6.649 4.731 1.00 0.00 C ATOM 1541 O LEU A 97 7.305 -6.410 5.930 1.00 0.00 O ATOM 1542 CB LEU A 97 7.300 -4.714 3.146 1.00 0.00 C ATOM 1543 CG LEU A 97 7.105 -3.376 3.864 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.288 -2.427 3.002 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.431 -3.579 5.213 1.00 0.00 C ATOM 0 H LEU A 97 8.743 -6.253 1.877 1.00 0.00 H new ATOM 0 HA LEU A 97 8.946 -5.147 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.678 -4.517 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.326 -5.190 3.031 1.00 0.00 H new ATOM 0 HG LEU A 97 8.087 -2.935 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.158 -1.480 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.808 -2.252 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.311 -2.868 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.303 -2.615 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.456 -4.044 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.051 -4.224 5.836 1.00 0.00 H new ATOM 1557 N GLN A 98 6.940 -7.727 4.138 1.00 0.00 N ATOM 1558 CA GLN A 98 6.150 -8.708 4.877 1.00 0.00 C ATOM 1559 C GLN A 98 6.875 -9.163 6.139 1.00 0.00 C ATOM 1560 O GLN A 98 6.260 -9.337 7.190 1.00 0.00 O ATOM 1561 CB GLN A 98 5.835 -9.917 3.992 1.00 0.00 C ATOM 1562 CG GLN A 98 4.984 -9.578 2.778 1.00 0.00 C ATOM 1563 CD GLN A 98 3.623 -9.029 3.155 1.00 0.00 C ATOM 1564 OE1 GLN A 98 2.655 -9.778 3.292 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.541 -7.715 3.325 1.00 0.00 N ATOM 0 H GLN A 98 7.060 -7.943 3.148 1.00 0.00 H new ATOM 0 HA GLN A 98 5.217 -8.229 5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.770 -10.364 3.656 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.319 -10.669 4.589 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.509 -8.847 2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.855 -10.472 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.369 -7.132 3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.650 -7.288 3.579 1.00 0.00 H new ATOM 1574 N HIS A 99 8.184 -9.355 6.028 1.00 0.00 N ATOM 1575 CA HIS A 99 8.988 -9.781 7.167 1.00 0.00 C ATOM 1576 C HIS A 99 9.291 -8.597 8.078 1.00 0.00 C ATOM 1577 O HIS A 99 9.225 -8.706 9.305 1.00 0.00 O ATOM 1578 CB HIS A 99 10.291 -10.424 6.688 1.00 0.00 C ATOM 1579 CG HIS A 99 10.083 -11.684 5.908 1.00 0.00 C ATOM 1580 ND1 HIS A 99 10.495 -12.922 6.353 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.503 -11.894 4.702 1.00 0.00 C ATOM 1582 CE1 HIS A 99 10.177 -13.839 5.457 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.574 -13.242 4.446 1.00 0.00 N ATOM 0 H HIS A 99 8.710 -9.223 5.164 1.00 0.00 H new ATOM 0 HA HIS A 99 8.420 -10.520 7.733 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.834 -9.709 6.070 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.919 -10.640 7.552 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.066 -11.142 4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.376 -14.897 5.538 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.218 -13.706 3.610 1.00 0.00 H new ATOM 1592 N HIS A 100 9.603 -7.458 7.468 1.00 0.00 N ATOM 1593 CA HIS A 100 9.919 -6.251 8.223 1.00 0.00 C ATOM 1594 C HIS A 100 8.670 -5.679 8.881 1.00 0.00 C ATOM 1595 O HIS A 100 8.730 -4.656 9.562 1.00 0.00 O ATOM 1596 CB HIS A 100 10.566 -5.204 7.315 1.00 0.00 C ATOM 1597 CG HIS A 100 12.004 -5.485 7.014 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.579 -6.429 6.231 1.00 0.00 N flip ATOM 1599 CD2 HIS A 100 13.043 -4.751 7.549 1.00 0.00 C flip ATOM 1600 CE1 HIS A 100 13.937 -6.250 6.306 1.00 0.00 C flip ATOM 1601 NE2 HIS A 100 14.192 -5.232 7.107 1.00 0.00 N flip ATOM 0 H HIS A 100 9.644 -7.346 6.455 1.00 0.00 H new ATOM 0 HA HIS A 100 10.627 -6.519 9.007 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.010 -5.152 6.379 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.486 -4.225 7.788 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.092 -7.141 5.686 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.934 -3.914 8.223 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.678 -6.845 5.793 1.00 0.00 H new ATOM 1610 N LYS A 101 7.540 -6.344 8.669 1.00 0.00 N ATOM 1611 CA LYS A 101 6.279 -5.909 9.252 1.00 0.00 C ATOM 1612 C LYS A 101 6.321 -6.053 10.770 1.00 0.00 C ATOM 1613 O LYS A 101 5.568 -5.396 11.488 1.00 0.00 O ATOM 1614 CB LYS A 101 5.119 -6.727 8.679 1.00 0.00 C ATOM 1615 CG LYS A 101 3.750 -6.253 9.142 1.00 0.00 C ATOM 1616 CD LYS A 101 2.632 -7.097 8.545 1.00 0.00 C ATOM 1617 CE LYS A 101 2.661 -8.523 9.074 1.00 0.00 C ATOM 1618 NZ LYS A 101 2.478 -8.572 10.550 1.00 0.00 N ATOM 0 H LYS A 101 7.473 -7.186 8.098 1.00 0.00 H new ATOM 0 HA LYS A 101 6.125 -4.859 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.159 -6.685 7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.247 -7.772 8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.698 -6.297 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.610 -5.210 8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.669 -6.642 8.777 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.725 -7.110 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.876 -9.105 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.611 -8.989 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.250 -9.545 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.355 -8.267 11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.700 -7.938 10.825 1.00 0.00 H new ATOM 1632 N ASP A 102 7.212 -6.918 11.250 1.00 0.00 N ATOM 1633 CA ASP A 102 7.357 -7.148 12.684 1.00 0.00 C ATOM 1634 C ASP A 102 8.172 -6.032 13.332 1.00 0.00 C ATOM 1635 O ASP A 102 8.286 -5.965 14.557 1.00 0.00 O ATOM 1636 CB ASP A 102 8.028 -8.498 12.943 1.00 0.00 C ATOM 1637 CG ASP A 102 7.236 -9.659 12.372 1.00 0.00 C ATOM 1638 OD1 ASP A 102 6.293 -10.123 13.047 1.00 0.00 O ATOM 1639 OD2 ASP A 102 7.561 -10.105 11.252 1.00 0.00 O ATOM 0 H ASP A 102 7.843 -7.469 10.668 1.00 0.00 H new ATOM 0 HA ASP A 102 6.361 -7.155 13.127 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.027 -8.494 12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.151 -8.639 14.017 1.00 0.00 H new ATOM 1644 N GLU A 103 8.736 -5.160 12.502 1.00 0.00 N ATOM 1645 CA GLU A 103 9.541 -4.046 12.989 1.00 0.00 C ATOM 1646 C GLU A 103 8.840 -2.717 12.727 1.00 0.00 C ATOM 1647 O GLU A 103 8.510 -1.983 13.659 1.00 0.00 O ATOM 1648 CB GLU A 103 10.916 -4.055 12.314 1.00 0.00 C ATOM 1649 CG GLU A 103 11.821 -2.913 12.753 1.00 0.00 C ATOM 1650 CD GLU A 103 12.205 -3.001 14.217 1.00 0.00 C ATOM 1651 OE1 GLU A 103 11.420 -2.533 15.067 1.00 0.00 O ATOM 1652 OE2 GLU A 103 13.294 -3.538 14.513 1.00 0.00 O ATOM 0 H GLU A 103 8.650 -5.204 11.487 1.00 0.00 H new ATOM 0 HA GLU A 103 9.671 -4.161 14.065 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.411 -5.002 12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.781 -4.005 11.234 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.725 -2.916 12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.317 -1.964 12.570 1.00 0.00 H new ATOM 1659 N VAL A 104 8.616 -2.414 11.452 1.00 0.00 N ATOM 1660 CA VAL A 104 7.954 -1.175 11.060 1.00 0.00 C ATOM 1661 C VAL A 104 6.544 -1.104 11.641 1.00 0.00 C ATOM 1662 O VAL A 104 5.962 -2.127 12.006 1.00 0.00 O ATOM 1663 CB VAL A 104 7.881 -1.044 9.523 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.886 -2.038 8.944 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.523 0.378 9.119 1.00 0.00 C ATOM 0 H VAL A 104 8.884 -3.012 10.671 1.00 0.00 H new ATOM 0 HA VAL A 104 8.547 -0.351 11.457 1.00 0.00 H new ATOM 0 HB VAL A 104 8.865 -1.274 9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.851 -1.928 7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.196 -3.052 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.897 -1.847 9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.477 0.447 8.032 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.553 0.643 9.541 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.282 1.065 9.494 1.00 0.00 H new ATOM 1675 N ALA A 105 6.001 0.107 11.725 1.00 0.00 N ATOM 1676 CA ALA A 105 4.659 0.310 12.259 1.00 0.00 C ATOM 1677 C ALA A 105 3.638 -0.543 11.514 1.00 0.00 C ATOM 1678 O ALA A 105 3.305 -0.266 10.361 1.00 0.00 O ATOM 1679 CB ALA A 105 4.278 1.781 12.180 1.00 0.00 C ATOM 0 H ALA A 105 6.471 0.963 11.430 1.00 0.00 H new ATOM 0 HA ALA A 105 4.659 0.001 13.304 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.274 1.919 12.582 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.986 2.372 12.761 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.301 2.107 11.140 1.00 0.00 H new ATOM 1685 N GLY A 106 3.148 -1.585 12.181 1.00 0.00 N ATOM 1686 CA GLY A 106 2.169 -2.468 11.571 1.00 0.00 C ATOM 1687 C GLY A 106 0.862 -1.765 11.271 1.00 0.00 C ATOM 1688 O GLY A 106 0.165 -2.116 10.318 1.00 0.00 O ATOM 0 H GLY A 106 3.412 -1.834 13.134 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.579 -2.876 10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.980 -3.311 12.236 1.00 0.00 H new ATOM 1692 N ASP A 107 0.526 -0.771 12.087 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.710 -0.016 11.910 1.00 0.00 C ATOM 1694 C ASP A 107 -0.700 0.758 10.595 1.00 0.00 C ATOM 1695 O ASP A 107 -1.725 0.866 9.922 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.912 0.949 13.079 1.00 0.00 C ATOM 1697 CG ASP A 107 -2.174 1.778 12.934 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -3.254 1.286 13.320 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.080 2.918 12.434 1.00 0.00 O ATOM 0 H ASP A 107 1.093 -0.469 12.879 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.536 -0.727 11.883 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.957 0.383 14.010 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.051 1.613 13.151 1.00 0.00 H new ATOM 1704 N ILE A 108 0.461 1.295 10.232 1.00 0.00 N ATOM 1705 CA ILE A 108 0.590 2.062 8.998 1.00 0.00 C ATOM 1706 C ILE A 108 0.542 1.152 7.775 1.00 0.00 C ATOM 1707 O ILE A 108 -0.216 1.399 6.835 1.00 0.00 O ATOM 1708 CB ILE A 108 1.905 2.869 8.971 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.965 3.828 10.164 1.00 0.00 C ATOM 1710 CG2 ILE A 108 2.032 3.633 7.660 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.285 4.557 10.290 1.00 0.00 C ATOM 0 H ILE A 108 1.322 1.214 10.772 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.253 2.752 8.967 1.00 0.00 H new ATOM 0 HB ILE A 108 2.742 2.175 9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.163 4.560 10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.781 3.267 11.080 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.965 4.197 7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.030 2.930 6.827 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.192 4.320 7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.254 5.218 11.156 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.090 3.833 10.414 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.463 5.146 9.390 1.00 0.00 H new ATOM 1723 N PHE A 109 1.346 0.093 7.794 1.00 0.00 N ATOM 1724 CA PHE A 109 1.390 -0.845 6.680 1.00 0.00 C ATOM 1725 C PHE A 109 0.059 -1.571 6.520 1.00 0.00 C ATOM 1726 O PHE A 109 -0.303 -1.968 5.415 1.00 0.00 O ATOM 1727 CB PHE A 109 2.521 -1.862 6.854 1.00 0.00 C ATOM 1728 CG PHE A 109 2.623 -2.835 5.710 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.657 -2.383 4.397 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.674 -4.199 5.944 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.740 -3.273 3.343 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.757 -5.095 4.894 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.790 -4.632 3.592 1.00 0.00 C ATOM 0 H PHE A 109 1.973 -0.135 8.566 1.00 0.00 H new ATOM 0 HA PHE A 109 1.582 -0.265 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.467 -1.330 6.956 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.365 -2.415 7.780 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.618 -1.322 4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.649 -4.567 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.766 -2.908 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.796 -6.156 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.855 -5.330 2.771 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.665 -1.734 7.625 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.953 -2.428 7.606 1.00 0.00 C ATOM 1745 C ASP A 110 -2.835 -1.919 6.470 1.00 0.00 C ATOM 1746 O ASP A 110 -3.673 -2.654 5.948 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.673 -2.247 8.945 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.075 -2.827 8.934 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.206 -4.064 9.036 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.040 -2.042 8.822 1.00 0.00 O ATOM 0 H ASP A 110 -0.383 -1.396 8.545 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.761 -3.488 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.092 -2.725 9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.724 -1.185 9.186 1.00 0.00 H new ATOM 1755 N MET A 111 -2.644 -0.660 6.090 1.00 0.00 N ATOM 1756 CA MET A 111 -3.411 -0.072 5.000 1.00 0.00 C ATOM 1757 C MET A 111 -2.940 -0.641 3.664 1.00 0.00 C ATOM 1758 O MET A 111 -3.737 -1.144 2.870 1.00 0.00 O ATOM 1759 CB MET A 111 -3.255 1.450 5.005 1.00 0.00 C ATOM 1760 CG MET A 111 -3.996 2.143 3.872 1.00 0.00 C ATOM 1761 SD MET A 111 -3.605 3.901 3.759 1.00 0.00 S ATOM 1762 CE MET A 111 -1.844 3.836 3.432 1.00 0.00 C ATOM 0 H MET A 111 -1.967 -0.030 6.520 1.00 0.00 H new ATOM 0 HA MET A 111 -4.464 -0.317 5.139 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.616 1.841 5.956 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.196 1.698 4.940 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.745 1.658 2.929 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.069 2.022 4.017 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.599 4.519 2.619 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.297 4.128 4.328 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.564 2.821 3.150 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.632 -0.569 3.438 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.029 -1.071 2.209 1.00 0.00 C ATOM 1774 C LEU A 112 -1.167 -2.587 2.122 1.00 0.00 C ATOM 1775 O LEU A 112 -1.124 -3.163 1.038 1.00 0.00 O ATOM 1776 CB LEU A 112 0.449 -0.678 2.146 1.00 0.00 C ATOM 1777 CG LEU A 112 0.735 0.818 2.296 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.234 1.075 2.318 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.078 1.604 1.172 1.00 0.00 C ATOM 0 H LEU A 112 -0.965 -0.165 4.096 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.553 -0.625 1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.984 -1.214 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.857 -1.015 1.193 1.00 0.00 H new ATOM 0 HG LEU A 112 0.313 1.154 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.418 2.144 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.682 0.544 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.677 0.722 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.293 2.665 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.470 1.264 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.000 1.446 1.200 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.339 -3.221 3.276 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.470 -4.672 3.356 1.00 0.00 C ATOM 1793 C LEU A 113 -2.520 -5.185 2.375 1.00 0.00 C ATOM 1794 O LEU A 113 -2.448 -6.326 1.919 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.837 -5.086 4.782 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.754 -6.587 5.071 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.328 -7.089 4.892 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.250 -6.884 6.478 1.00 0.00 C ATOM 0 H LEU A 113 -1.391 -2.748 4.178 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.511 -5.115 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.178 -4.563 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.852 -4.749 4.990 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.393 -7.110 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.290 -8.158 5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.005 -6.909 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.333 -6.560 5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.185 -7.955 6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.635 -6.349 7.201 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.287 -6.561 6.574 1.00 0.00 H new ATOM 1810 N THR A 114 -3.496 -4.337 2.058 1.00 0.00 N ATOM 1811 CA THR A 114 -4.562 -4.702 1.130 1.00 0.00 C ATOM 1812 C THR A 114 -4.018 -5.070 -0.252 1.00 0.00 C ATOM 1813 O THR A 114 -4.781 -5.435 -1.147 1.00 0.00 O ATOM 1814 CB THR A 114 -5.579 -3.559 0.969 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.930 -2.399 0.434 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.225 -3.215 2.303 1.00 0.00 C ATOM 0 H THR A 114 -3.570 -3.391 2.431 1.00 0.00 H new ATOM 0 HA THR A 114 -5.054 -5.574 1.561 1.00 0.00 H new ATOM 0 HB THR A 114 -6.358 -3.890 0.282 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.485 -1.910 1.157 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.940 -2.404 2.163 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.742 -4.091 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.456 -2.903 3.010 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.701 -4.975 -0.423 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.071 -5.298 -1.700 1.00 0.00 C ATOM 1826 C PHE A 115 -2.246 -6.775 -2.039 1.00 0.00 C ATOM 1827 O PHE A 115 -2.199 -7.160 -3.208 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.576 -4.956 -1.670 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.265 -3.503 -1.922 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.920 -2.796 -2.921 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.695 -2.847 -1.165 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.627 -1.467 -3.156 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.991 -1.518 -1.396 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.330 -0.828 -2.392 1.00 0.00 C ATOM 0 H PHE A 115 -2.051 -4.678 0.305 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.561 -4.699 -2.468 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.170 -5.239 -0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.062 -5.560 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.668 -3.291 -3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.217 -3.382 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.145 -0.928 -3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.739 -1.019 -0.798 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.561 0.211 -2.574 1.00 0.00 H new ATOM 1844 N THR A 116 -2.448 -7.599 -1.016 1.00 0.00 N ATOM 1845 CA THR A 116 -2.626 -9.032 -1.221 1.00 0.00 C ATOM 1846 C THR A 116 -3.622 -9.623 -0.228 1.00 0.00 C ATOM 1847 O THR A 116 -4.237 -10.656 -0.494 1.00 0.00 O ATOM 1848 CB THR A 116 -1.289 -9.788 -1.102 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.500 -11.191 -1.291 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.645 -9.547 0.256 1.00 0.00 C ATOM 0 H THR A 116 -2.492 -7.301 -0.041 1.00 0.00 H new ATOM 0 HA THR A 116 -3.018 -9.153 -2.231 1.00 0.00 H new ATOM 0 HB THR A 116 -0.618 -9.413 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.645 -11.664 -1.215 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.297 -10.092 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.456 -8.481 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.314 -9.895 1.043 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.779 -8.964 0.917 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.701 -9.433 1.947 1.00 0.00 C ATOM 1860 C ASP A 117 -6.137 -9.017 1.639 1.00 0.00 C ATOM 1861 O ASP A 117 -6.626 -8.005 2.144 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.284 -8.901 3.319 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.030 -9.576 3.841 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.926 -9.206 3.391 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.153 -10.474 4.699 1.00 0.00 O ATOM 0 H ASP A 117 -3.281 -8.106 1.154 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.659 -10.522 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.115 -7.826 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.098 -9.053 4.028 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.805 -9.809 0.805 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.187 -9.535 0.425 1.00 0.00 C ATOM 1872 C PHE A 118 -9.095 -9.546 1.649 1.00 0.00 C ATOM 1873 O PHE A 118 -10.133 -8.882 1.673 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.666 -10.575 -0.591 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.075 -10.356 -1.068 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.342 -9.457 -2.088 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.129 -11.052 -0.500 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.635 -9.257 -2.533 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.424 -10.856 -0.940 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.677 -9.958 -1.958 1.00 0.00 C ATOM 0 H PHE A 118 -6.410 -10.647 0.379 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.230 -8.545 -0.028 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.996 -10.564 -1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.594 -11.566 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.530 -8.906 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.936 -11.756 0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.830 -8.554 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.237 -11.404 -0.488 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.688 -9.804 -2.304 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.695 -10.305 2.663 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.469 -10.411 3.893 1.00 0.00 C ATOM 1892 C LEU A 119 -9.545 -9.065 4.608 1.00 0.00 C ATOM 1893 O LEU A 119 -10.584 -8.702 5.159 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.849 -11.462 4.816 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.698 -11.845 6.030 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -11.000 -12.495 5.588 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.921 -12.778 6.947 1.00 0.00 C ATOM 0 H LEU A 119 -7.837 -10.857 2.657 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.482 -10.717 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.650 -12.362 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.887 -11.091 5.168 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.939 -10.937 6.583 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.590 -12.760 6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.563 -11.797 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.781 -13.394 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.538 -13.041 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.652 -13.683 6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -8.015 -12.279 7.291 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.436 -8.329 4.596 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.377 -7.024 5.243 1.00 0.00 C ATOM 1911 C ALA A 120 -9.092 -5.967 4.408 1.00 0.00 C ATOM 1912 O ALA A 120 -9.666 -5.020 4.945 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.931 -6.620 5.481 1.00 0.00 C ATOM 0 H ALA A 120 -7.567 -8.615 4.145 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.886 -7.097 6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.901 -5.644 5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.448 -7.358 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.406 -6.569 4.527 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.051 -6.141 3.092 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.693 -5.209 2.171 1.00 0.00 C ATOM 1921 C PHE A 121 -11.204 -5.185 2.393 1.00 0.00 C ATOM 1922 O PHE A 121 -11.797 -4.127 2.614 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.374 -5.612 0.727 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.543 -4.506 -0.278 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.016 -3.244 -0.043 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.218 -4.734 -1.467 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.160 -2.234 -0.973 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.366 -3.726 -2.400 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.837 -2.475 -2.154 1.00 0.00 C ATOM 0 H PHE A 121 -8.578 -6.922 2.637 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.307 -4.207 2.358 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.347 -5.974 0.682 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.018 -6.445 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.487 -3.050 0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.633 -5.711 -1.666 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.744 -1.256 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.896 -3.917 -3.322 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.952 -1.686 -2.883 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.816 -6.364 2.342 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.255 -6.491 2.540 1.00 0.00 C ATOM 1941 C LYS A 122 -13.656 -6.018 3.934 1.00 0.00 C ATOM 1942 O LYS A 122 -14.561 -5.196 4.084 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.689 -7.945 2.339 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.182 -8.168 2.520 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.539 -9.644 2.450 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.029 -9.867 2.649 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.835 -9.219 1.579 1.00 0.00 N ATOM 0 H LYS A 122 -11.336 -7.247 2.165 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.756 -5.862 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.402 -8.266 1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.148 -8.577 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.497 -7.762 3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.728 -7.624 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.236 -10.047 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.983 -10.190 3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.237 -10.937 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.329 -9.471 3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.789 -9.632 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.902 -8.198 1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.378 -9.374 0.658 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.975 -6.544 4.948 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.259 -6.183 6.333 1.00 0.00 C ATOM 1963 C GLU A 123 -13.109 -4.681 6.553 1.00 0.00 C ATOM 1964 O GLU A 123 -13.776 -4.100 7.411 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.331 -6.948 7.280 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.619 -6.697 8.752 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.770 -7.559 9.667 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -10.633 -7.148 9.982 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -12.242 -8.643 10.068 1.00 0.00 O ATOM 0 H GLU A 123 -12.222 -7.223 4.836 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.292 -6.456 6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.420 -8.015 7.078 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.299 -6.668 7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.440 -5.646 8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.673 -6.891 8.951 1.00 0.00 H new ATOM 1976 N MET A 124 -12.232 -4.055 5.774 1.00 0.00 N ATOM 1977 CA MET A 124 -11.999 -2.619 5.887 1.00 0.00 C ATOM 1978 C MET A 124 -13.242 -1.834 5.486 1.00 0.00 C ATOM 1979 O MET A 124 -13.660 -0.913 6.190 1.00 0.00 O ATOM 1980 CB MET A 124 -10.814 -2.200 5.014 1.00 0.00 C ATOM 1981 CG MET A 124 -10.471 -0.722 5.121 1.00 0.00 C ATOM 1982 SD MET A 124 -9.049 -0.264 4.112 1.00 0.00 S ATOM 1983 CE MET A 124 -9.659 -0.649 2.472 1.00 0.00 C ATOM 0 H MET A 124 -11.672 -4.519 5.059 1.00 0.00 H new ATOM 0 HA MET A 124 -11.769 -2.396 6.929 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.941 -2.788 5.295 1.00 0.00 H new ATOM 0 HB3 MET A 124 -11.038 -2.438 3.974 1.00 0.00 H new ATOM 0 HG2 MET A 124 -11.334 -0.130 4.816 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.267 -0.475 6.163 1.00 0.00 H new ATOM 0 HE1 MET A 124 -9.037 -0.153 1.727 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.624 -1.727 2.315 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.688 -0.301 2.376 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.829 -2.199 4.350 1.00 0.00 N ATOM 1994 CA PHE A 125 -15.024 -1.522 3.858 1.00 0.00 C ATOM 1995 C PHE A 125 -16.212 -1.729 4.794 1.00 0.00 C ATOM 1996 O PHE A 125 -16.968 -0.796 5.060 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.375 -2.010 2.452 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.363 -1.615 1.416 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.085 -0.280 1.173 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.688 -2.579 0.687 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.153 0.088 0.223 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.756 -2.219 -0.265 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.487 -0.884 -0.498 1.00 0.00 C ATOM 0 H PHE A 125 -13.498 -2.958 3.754 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.805 -0.455 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.467 -3.096 2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.349 -1.611 2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.604 0.483 1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.893 -3.624 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.945 1.133 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.237 -2.981 -0.828 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.757 -0.601 -1.242 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.376 -2.955 5.288 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.477 -3.269 6.195 1.00 0.00 C ATOM 2015 C LEU A 126 -17.451 -2.362 7.422 1.00 0.00 C ATOM 2016 O LEU A 126 -18.490 -1.870 7.863 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.414 -4.737 6.631 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.230 -5.708 5.773 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.688 -5.760 4.352 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.230 -7.097 6.395 1.00 0.00 C ATOM 0 H LEU A 126 -15.764 -3.743 5.077 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.410 -3.098 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.372 -5.057 6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.761 -4.808 7.662 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.258 -5.347 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.283 -6.456 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.741 -4.767 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.651 -6.094 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.814 -7.774 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.206 -7.463 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.670 -7.050 7.391 1.00 0.00 H new ATOM 2032 N ASP A 127 -16.258 -2.144 7.965 1.00 0.00 N ATOM 2033 CA ASP A 127 -16.096 -1.295 9.138 1.00 0.00 C ATOM 2034 C ASP A 127 -16.386 0.163 8.798 1.00 0.00 C ATOM 2035 O ASP A 127 -17.046 0.870 9.561 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.679 -1.427 9.696 1.00 0.00 C ATOM 2037 CG ASP A 127 -14.470 -0.591 10.944 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.777 -1.086 12.049 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -14.000 0.559 10.815 1.00 0.00 O ATOM 0 H ASP A 127 -15.389 -2.544 7.611 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.810 -1.622 9.894 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.477 -2.473 9.925 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.961 -1.123 8.934 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.889 0.604 7.647 1.00 0.00 N ATOM 2045 CA TYR A 128 -16.089 1.978 7.201 1.00 0.00 C ATOM 2046 C TYR A 128 -17.573 2.281 7.012 1.00 0.00 C ATOM 2047 O TYR A 128 -18.026 3.396 7.273 1.00 0.00 O ATOM 2048 CB TYR A 128 -15.331 2.225 5.894 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.494 3.628 5.352 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.874 4.707 5.968 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.267 3.870 4.225 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -15.020 5.990 5.476 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.418 5.148 3.725 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.793 6.205 4.354 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.942 7.481 3.861 1.00 0.00 O ATOM 0 H TYR A 128 -15.344 0.028 7.005 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.700 2.645 7.970 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -14.271 2.029 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.676 1.513 5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -14.268 4.541 6.846 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.759 3.045 3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.532 6.819 5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.022 5.319 2.846 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.516 7.460 3.067 1.00 0.00 H new ATOM 2065 N ARG A 129 -18.323 1.282 6.557 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.755 1.444 6.336 1.00 0.00 C ATOM 2067 C ARG A 129 -20.488 1.620 7.662 1.00 0.00 C ATOM 2068 O ARG A 129 -21.375 2.466 7.786 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.319 0.236 5.585 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.794 0.371 5.237 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.324 -0.883 4.562 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.257 -2.047 5.442 1.00 0.00 N ATOM 2073 CZ ARG A 129 -22.941 -3.169 5.238 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.739 -3.280 4.185 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -22.827 -4.179 6.087 1.00 0.00 N ATOM 0 H ARG A 129 -17.963 0.354 6.335 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.907 2.339 5.732 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.749 0.091 4.667 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -20.178 -0.658 6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -22.366 0.567 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.937 1.228 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -23.357 -0.720 4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.749 -1.079 3.657 1.00 0.00 H new ATOM 0 HE ARG A 129 -21.650 -1.996 6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -23.829 -2.504 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.263 -4.142 4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -22.214 -4.097 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -23.352 -5.039 5.930 1.00 0.00 H new ATOM 2089 N ALA A 130 -20.109 0.816 8.652 1.00 0.00 N ATOM 2090 CA ALA A 130 -20.724 0.884 9.972 1.00 0.00 C ATOM 2091 C ALA A 130 -20.447 2.229 10.632 1.00 0.00 C ATOM 2092 O ALA A 130 -21.222 2.694 11.468 1.00 0.00 O ATOM 2093 CB ALA A 130 -20.216 -0.252 10.849 1.00 0.00 C ATOM 0 H ALA A 130 -19.378 0.110 8.564 1.00 0.00 H new ATOM 0 HA ALA A 130 -21.802 0.781 9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -20.683 -0.190 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -20.467 -1.207 10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -19.134 -0.173 10.956 1.00 0.00 H new ATOM 2099 N GLU A 131 -19.334 2.848 10.250 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.953 4.143 10.801 1.00 0.00 C ATOM 2101 C GLU A 131 -19.905 5.235 10.323 1.00 0.00 C ATOM 2102 O GLU A 131 -20.032 6.284 10.956 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.517 4.486 10.398 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.977 5.740 11.068 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.545 6.040 10.674 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -14.624 5.496 11.319 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -15.344 6.821 9.720 1.00 0.00 O ATOM 0 H GLU A 131 -18.681 2.474 9.562 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.013 4.084 11.888 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.869 3.645 10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.473 4.615 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -17.608 6.589 10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -17.035 5.623 12.150 1.00 0.00 H new