USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 THR OG1 : rot 180:sc= -0.0919 USER MOD Set 1.2: A 96 THR OG1 : rot 87:sc= 1.05 USER MOD Set 2.1: A 80 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.087) USER MOD Set 2.2: A 83 GLN : amide:sc= 0 K(o=-1.1,f=-0.48) USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 114 THR OG1 : rot -84:sc= 0.7 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 159:sc= -0.135 (180deg=-0.638) USER MOD Single : A 38 GLN : amide:sc= 0.426 K(o=0.43,f=-0.89) USER MOD Single : A 41 GLN : amide:sc= -0.745 X(o=-0.75,f=-0.99) USER MOD Single : A 43 ASN : amide:sc= -0.517 K(o=-0.52,f=-2.3!) USER MOD Single : A 45 MET CE :methyl 159:sc= -0.128 (180deg=-0.713) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.445 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.102 (180deg=-0.56) 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= -0.313 X(o=-0.31,f=-0.73) USER MOD Single : A 71 SER OG : rot 82:sc= 0.0277 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 : amide:sc= -2.8 K(o=-2.8,f=-1) USER MOD Single : A 90 MET CE :methyl 165:sc= 0 (180deg=-0.232) USER MOD Single : A 94 THR OG1 : rot -81:sc= 1.23 USER MOD Single : A 98 GLN : amide:sc= -0.825 K(o=-0.83,f=-0.00083) USER MOD Single : A 99 HIS : no HD1:sc=-0.000386 X(o=-0.00039,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-0.0077) USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= -0.148 (180deg=-0.545) USER MOD Single : A 111 MET CE :methyl -166:sc= -0.781 (180deg=-1.05) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -138:sc= -0.292 (180deg=-0.52) USER MOD Single : A 124 MET CE :methyl 160:sc= -0.191 (180deg=-0.762) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.870 2.379 5.786 1.00 0.00 N ATOM 243 CA ALA A 19 19.153 3.633 5.599 1.00 0.00 C ATOM 244 C ALA A 19 18.222 3.572 4.391 1.00 0.00 C ATOM 245 O ALA A 19 17.255 4.327 4.309 1.00 0.00 O ATOM 246 CB ALA A 19 20.137 4.784 5.452 1.00 0.00 C ATOM 0 HA ALA A 19 18.537 3.801 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.589 5.716 5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.751 4.855 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.777 4.607 4.588 1.00 0.00 H new ATOM 252 N GLU A 20 18.520 2.677 3.450 1.00 0.00 N ATOM 253 CA GLU A 20 17.706 2.538 2.245 1.00 0.00 C ATOM 254 C GLU A 20 16.252 2.212 2.589 1.00 0.00 C ATOM 255 O GLU A 20 15.333 2.872 2.102 1.00 0.00 O ATOM 256 CB GLU A 20 18.281 1.457 1.328 1.00 0.00 C ATOM 257 CG GLU A 20 17.521 1.306 0.019 1.00 0.00 C ATOM 258 CD GLU A 20 18.162 0.304 -0.920 1.00 0.00 C ATOM 259 OE1 GLU A 20 19.209 0.633 -1.516 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.617 -0.812 -1.059 1.00 0.00 O ATOM 0 H GLU A 20 19.315 2.040 3.499 1.00 0.00 H new ATOM 0 HA GLU A 20 17.726 3.494 1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.322 1.693 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.274 0.503 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.498 0.995 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.463 2.275 -0.476 1.00 0.00 H new ATOM 267 N PHE A 21 16.046 1.197 3.425 1.00 0.00 N ATOM 268 CA PHE A 21 14.695 0.803 3.820 1.00 0.00 C ATOM 269 C PHE A 21 13.992 1.937 4.563 1.00 0.00 C ATOM 270 O PHE A 21 12.900 2.358 4.178 1.00 0.00 O ATOM 271 CB PHE A 21 14.736 -0.450 4.699 1.00 0.00 C ATOM 272 CG PHE A 21 13.376 -0.968 5.079 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.693 -1.838 4.243 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.781 -0.585 6.272 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.443 -2.316 4.590 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.531 -1.060 6.623 1.00 0.00 C ATOM 277 CZ PHE A 21 10.861 -1.926 5.781 1.00 0.00 C ATOM 0 H PHE A 21 16.790 0.636 3.839 1.00 0.00 H new ATOM 0 HA PHE A 21 14.132 0.581 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.280 -1.235 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.297 -0.228 5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.142 -2.146 3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.300 0.092 6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.922 -2.994 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.079 -0.754 7.555 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.884 -2.298 6.053 1.00 0.00 H new ATOM 287 N ASP A 22 14.625 2.425 5.626 1.00 0.00 N ATOM 288 CA ASP A 22 14.061 3.507 6.429 1.00 0.00 C ATOM 289 C ASP A 22 13.762 4.733 5.572 1.00 0.00 C ATOM 290 O ASP A 22 12.845 5.499 5.867 1.00 0.00 O ATOM 291 CB ASP A 22 15.023 3.884 7.558 1.00 0.00 C ATOM 292 CG ASP A 22 15.370 2.702 8.442 1.00 0.00 C ATOM 293 OD1 ASP A 22 14.573 2.383 9.349 1.00 0.00 O ATOM 294 OD2 ASP A 22 16.441 2.097 8.228 1.00 0.00 O ATOM 0 H ASP A 22 15.531 2.088 5.952 1.00 0.00 H new ATOM 0 HA ASP A 22 13.123 3.153 6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.937 4.295 7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.575 4.670 8.166 1.00 0.00 H new ATOM 299 N ALA A 23 14.541 4.914 4.510 1.00 0.00 N ATOM 300 CA ALA A 23 14.360 6.050 3.615 1.00 0.00 C ATOM 301 C ALA A 23 13.023 5.966 2.890 1.00 0.00 C ATOM 302 O ALA A 23 12.271 6.939 2.841 1.00 0.00 O ATOM 303 CB ALA A 23 15.503 6.127 2.615 1.00 0.00 C ATOM 0 H ALA A 23 15.303 4.288 4.249 1.00 0.00 H new ATOM 0 HA ALA A 23 14.362 6.959 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.352 6.981 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.446 6.244 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.532 5.212 2.024 1.00 0.00 H new ATOM 309 N VAL A 24 12.734 4.797 2.327 1.00 0.00 N ATOM 310 CA VAL A 24 11.484 4.586 1.608 1.00 0.00 C ATOM 311 C VAL A 24 10.288 4.774 2.534 1.00 0.00 C ATOM 312 O VAL A 24 9.273 5.346 2.142 1.00 0.00 O ATOM 313 CB VAL A 24 11.424 3.179 0.981 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.159 3.017 0.153 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.660 2.919 0.133 1.00 0.00 C ATOM 0 H VAL A 24 13.348 3.983 2.355 1.00 0.00 H new ATOM 0 HA VAL A 24 11.445 5.327 0.810 1.00 0.00 H new ATOM 0 HB VAL A 24 11.402 2.444 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.134 2.018 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.286 3.157 0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.149 3.760 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.600 1.921 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.716 3.659 -0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.551 2.990 0.757 1.00 0.00 H new ATOM 325 N VAL A 25 10.418 4.289 3.767 1.00 0.00 N ATOM 326 CA VAL A 25 9.347 4.410 4.750 1.00 0.00 C ATOM 327 C VAL A 25 8.977 5.873 4.966 1.00 0.00 C ATOM 328 O VAL A 25 7.798 6.218 5.054 1.00 0.00 O ATOM 329 CB VAL A 25 9.748 3.783 6.101 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.623 3.923 7.117 1.00 0.00 C ATOM 331 CG2 VAL A 25 10.129 2.322 5.918 1.00 0.00 C ATOM 0 H VAL A 25 11.252 3.810 4.107 1.00 0.00 H new ATOM 0 HA VAL A 25 8.486 3.871 4.356 1.00 0.00 H new ATOM 0 HB VAL A 25 10.617 4.319 6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.928 3.474 8.062 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.402 4.979 7.272 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.732 3.417 6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.409 1.896 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.280 1.773 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.971 2.249 5.230 1.00 0.00 H new ATOM 341 N GLY A 26 9.991 6.729 5.048 1.00 0.00 N ATOM 342 CA GLY A 26 9.753 8.147 5.243 1.00 0.00 C ATOM 343 C GLY A 26 8.968 8.759 4.100 1.00 0.00 C ATOM 344 O GLY A 26 7.992 9.478 4.321 1.00 0.00 O ATOM 0 H GLY A 26 10.974 6.465 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.210 8.297 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.708 8.663 5.343 1.00 0.00 H new ATOM 348 N TYR A 27 9.393 8.470 2.873 1.00 0.00 N ATOM 349 CA TYR A 27 8.722 8.991 1.689 1.00 0.00 C ATOM 350 C TYR A 27 7.269 8.532 1.647 1.00 0.00 C ATOM 351 O TYR A 27 6.380 9.290 1.262 1.00 0.00 O ATOM 352 CB TYR A 27 9.449 8.545 0.416 1.00 0.00 C ATOM 353 CG TYR A 27 10.852 9.098 0.283 1.00 0.00 C ATOM 354 CD1 TYR A 27 11.112 10.446 0.502 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.916 8.274 -0.062 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.392 10.955 0.381 1.00 0.00 C ATOM 357 CE2 TYR A 27 13.198 8.775 -0.185 1.00 0.00 C ATOM 358 CZ TYR A 27 13.429 10.116 0.037 1.00 0.00 C ATOM 359 OH TYR A 27 14.704 10.619 -0.086 1.00 0.00 O ATOM 0 H TYR A 27 10.199 7.878 2.674 1.00 0.00 H new ATOM 0 HA TYR A 27 8.743 10.080 1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.495 7.456 0.399 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.864 8.853 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.301 11.106 0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.738 7.223 -0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.578 12.005 0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 27 14.014 8.120 -0.453 1.00 0.00 H new ATOM 0 HH TYR A 27 15.318 9.896 -0.333 1.00 0.00 H new ATOM 369 N LEU A 28 7.036 7.286 2.050 1.00 0.00 N ATOM 370 CA LEU A 28 5.691 6.725 2.062 1.00 0.00 C ATOM 371 C LEU A 28 4.774 7.535 2.972 1.00 0.00 C ATOM 372 O LEU A 28 3.652 7.871 2.594 1.00 0.00 O ATOM 373 CB LEU A 28 5.726 5.266 2.522 1.00 0.00 C ATOM 374 CG LEU A 28 6.358 4.287 1.529 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.501 2.910 2.156 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.527 4.209 0.257 1.00 0.00 C ATOM 0 H LEU A 28 7.762 6.646 2.372 1.00 0.00 H new ATOM 0 HA LEU A 28 5.298 6.768 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.275 5.211 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.706 4.942 2.729 1.00 0.00 H new ATOM 0 HG LEU A 28 7.352 4.652 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.952 2.227 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.136 2.977 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.518 2.537 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.990 3.509 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.521 3.867 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.473 5.195 -0.204 1.00 0.00 H new ATOM 388 N GLU A 29 5.261 7.848 4.168 1.00 0.00 N ATOM 389 CA GLU A 29 4.485 8.621 5.132 1.00 0.00 C ATOM 390 C GLU A 29 4.072 9.966 4.543 1.00 0.00 C ATOM 391 O GLU A 29 2.950 10.427 4.750 1.00 0.00 O ATOM 392 CB GLU A 29 5.294 8.840 6.412 1.00 0.00 C ATOM 393 CG GLU A 29 5.635 7.554 7.145 1.00 0.00 C ATOM 394 CD GLU A 29 6.531 7.787 8.346 1.00 0.00 C ATOM 395 OE1 GLU A 29 5.997 8.077 9.437 1.00 0.00 O ATOM 396 OE2 GLU A 29 7.766 7.683 8.194 1.00 0.00 O ATOM 0 H GLU A 29 6.189 7.578 4.493 1.00 0.00 H new ATOM 0 HA GLU A 29 3.584 8.056 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.218 9.362 6.163 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.731 9.491 7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.714 7.071 7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.128 6.867 6.457 1.00 0.00 H new ATOM 403 N ASP A 30 4.990 10.590 3.809 1.00 0.00 N ATOM 404 CA ASP A 30 4.724 11.882 3.187 1.00 0.00 C ATOM 405 C ASP A 30 3.593 11.779 2.167 1.00 0.00 C ATOM 406 O ASP A 30 2.780 12.694 2.035 1.00 0.00 O ATOM 407 CB ASP A 30 5.990 12.412 2.512 1.00 0.00 C ATOM 408 CG ASP A 30 5.787 13.782 1.894 1.00 0.00 C ATOM 409 OD1 ASP A 30 5.348 13.848 0.727 1.00 0.00 O ATOM 410 OD2 ASP A 30 6.069 14.790 2.576 1.00 0.00 O ATOM 0 H ASP A 30 5.924 10.221 3.631 1.00 0.00 H new ATOM 0 HA ASP A 30 4.416 12.576 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.795 12.463 3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.307 11.711 1.739 1.00 0.00 H new ATOM 415 N ILE A 31 3.546 10.660 1.449 1.00 0.00 N ATOM 416 CA ILE A 31 2.516 10.442 0.439 1.00 0.00 C ATOM 417 C ILE A 31 1.163 10.144 1.080 1.00 0.00 C ATOM 418 O ILE A 31 0.126 10.598 0.599 1.00 0.00 O ATOM 419 CB ILE A 31 2.891 9.285 -0.508 1.00 0.00 C ATOM 420 CG1 ILE A 31 4.274 9.527 -1.116 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.845 9.135 -1.605 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.792 8.360 -1.930 1.00 0.00 C ATOM 0 H ILE A 31 4.209 9.891 1.548 1.00 0.00 H new ATOM 0 HA ILE A 31 2.443 11.364 -0.137 1.00 0.00 H new ATOM 0 HB ILE A 31 2.921 8.359 0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.232 10.412 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.981 9.742 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.125 8.314 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.874 8.925 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.786 10.059 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.776 8.604 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.867 7.478 -1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.106 8.158 -2.753 1.00 0.00 H new ATOM 434 N ILE A 32 1.181 9.380 2.167 1.00 0.00 N ATOM 435 CA ILE A 32 -0.045 9.021 2.869 1.00 0.00 C ATOM 436 C ILE A 32 -0.704 10.248 3.496 1.00 0.00 C ATOM 437 O ILE A 32 -1.929 10.330 3.583 1.00 0.00 O ATOM 438 CB ILE A 32 0.226 7.973 3.968 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.841 6.710 3.359 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.060 7.635 4.711 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.372 5.738 4.390 1.00 0.00 C ATOM 0 H ILE A 32 2.031 8.998 2.581 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.721 8.593 2.128 1.00 0.00 H new ATOM 0 HB ILE A 32 0.935 8.394 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.089 6.207 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.653 6.997 2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.850 6.894 5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.461 8.537 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.790 7.231 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.793 4.867 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.147 6.224 4.983 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.560 5.421 5.044 1.00 0.00 H new ATOM 453 N MET A 33 0.115 11.202 3.928 1.00 0.00 N ATOM 454 CA MET A 33 -0.393 12.419 4.552 1.00 0.00 C ATOM 455 C MET A 33 -0.673 13.500 3.511 1.00 0.00 C ATOM 456 O MET A 33 -1.070 14.614 3.852 1.00 0.00 O ATOM 457 CB MET A 33 0.604 12.944 5.587 1.00 0.00 C ATOM 458 CG MET A 33 0.853 11.980 6.736 1.00 0.00 C ATOM 459 SD MET A 33 1.990 12.648 7.968 1.00 0.00 S ATOM 460 CE MET A 33 1.056 14.053 8.573 1.00 0.00 C ATOM 0 H MET A 33 1.132 11.156 3.858 1.00 0.00 H new ATOM 0 HA MET A 33 -1.330 12.170 5.049 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.551 13.158 5.091 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.235 13.888 5.989 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.096 11.739 7.215 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.257 11.047 6.342 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.426 14.339 9.557 1.00 0.00 H new ATOM 0 HE2 MET A 33 1.171 14.890 7.884 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.002 13.785 8.646 1.00 0.00 H new ATOM 470 N ASP A 34 -0.466 13.166 2.242 1.00 0.00 N ATOM 471 CA ASP A 34 -0.698 14.113 1.156 1.00 0.00 C ATOM 472 C ASP A 34 -2.190 14.373 0.972 1.00 0.00 C ATOM 473 O ASP A 34 -3.010 13.469 1.127 1.00 0.00 O ATOM 474 CB ASP A 34 -0.095 13.585 -0.147 1.00 0.00 C ATOM 475 CG ASP A 34 -0.156 14.604 -1.267 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.796 15.401 -1.398 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.155 14.603 -2.015 1.00 0.00 O ATOM 0 H ASP A 34 -0.139 12.248 1.940 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.213 15.054 1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.943 13.300 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.626 12.683 -0.451 1.00 0.00 H new ATOM 482 N ASP A 35 -2.534 15.615 0.642 1.00 0.00 N ATOM 483 CA ASP A 35 -3.928 15.997 0.439 1.00 0.00 C ATOM 484 C ASP A 35 -4.567 15.174 -0.677 1.00 0.00 C ATOM 485 O ASP A 35 -5.664 14.640 -0.516 1.00 0.00 O ATOM 486 CB ASP A 35 -4.029 17.486 0.106 1.00 0.00 C ATOM 487 CG ASP A 35 -3.516 18.367 1.228 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.256 18.563 2.214 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.374 18.861 1.119 1.00 0.00 O ATOM 0 H ASP A 35 -1.866 16.374 0.509 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.467 15.799 1.366 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.461 17.691 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.068 17.739 -0.104 1.00 0.00 H new ATOM 494 N GLU A 36 -3.873 15.079 -1.809 1.00 0.00 N ATOM 495 CA GLU A 36 -4.375 14.326 -2.954 1.00 0.00 C ATOM 496 C GLU A 36 -4.593 12.858 -2.602 1.00 0.00 C ATOM 497 O GLU A 36 -5.393 12.171 -3.238 1.00 0.00 O ATOM 498 CB GLU A 36 -3.406 14.434 -4.135 1.00 0.00 C ATOM 499 CG GLU A 36 -3.373 15.811 -4.782 1.00 0.00 C ATOM 500 CD GLU A 36 -2.790 16.874 -3.871 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.553 17.045 -3.873 1.00 0.00 O ATOM 502 OE2 GLU A 36 -3.572 17.537 -3.157 1.00 0.00 O ATOM 0 H GLU A 36 -2.962 15.514 -1.957 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.335 14.759 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.403 14.180 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.683 13.696 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.786 15.763 -5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.385 16.098 -5.067 1.00 0.00 H new ATOM 509 N PHE A 37 -3.882 12.381 -1.585 1.00 0.00 N ATOM 510 CA PHE A 37 -4.004 10.990 -1.161 1.00 0.00 C ATOM 511 C PHE A 37 -5.309 10.759 -0.405 1.00 0.00 C ATOM 512 O PHE A 37 -6.079 9.863 -0.747 1.00 0.00 O ATOM 513 CB PHE A 37 -2.816 10.590 -0.286 1.00 0.00 C ATOM 514 CG PHE A 37 -2.783 9.123 0.037 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.340 8.204 -0.902 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.196 8.662 1.277 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.309 6.853 -0.611 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.169 7.312 1.574 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.724 6.407 0.629 1.00 0.00 C ATOM 0 H PHE A 37 -3.219 12.933 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.010 10.368 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.891 10.864 -0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.850 11.159 0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.015 8.548 -1.873 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.543 9.365 2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.961 6.148 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.495 6.965 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.701 5.352 0.860 1.00 0.00 H new ATOM 529 N GLN A 38 -5.551 11.569 0.623 1.00 0.00 N ATOM 530 CA GLN A 38 -6.764 11.445 1.424 1.00 0.00 C ATOM 531 C GLN A 38 -8.012 11.628 0.565 1.00 0.00 C ATOM 532 O GLN A 38 -8.970 10.865 0.678 1.00 0.00 O ATOM 533 CB GLN A 38 -6.758 12.474 2.556 1.00 0.00 C ATOM 534 CG GLN A 38 -5.591 12.317 3.516 1.00 0.00 C ATOM 535 CD GLN A 38 -5.677 11.045 4.339 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.767 10.547 4.621 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.524 10.515 4.729 1.00 0.00 N ATOM 0 H GLN A 38 -4.924 12.317 0.920 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.784 10.442 1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.731 13.475 2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.690 12.392 3.115 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.659 12.317 2.951 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.558 13.177 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.644 10.962 4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.518 9.660 5.286 1.00 0.00 H new ATOM 546 N LEU A 39 -7.993 12.646 -0.291 1.00 0.00 N ATOM 547 CA LEU A 39 -9.124 12.928 -1.170 1.00 0.00 C ATOM 548 C LEU A 39 -9.396 11.749 -2.097 1.00 0.00 C ATOM 549 O LEU A 39 -10.526 11.271 -2.193 1.00 0.00 O ATOM 550 CB LEU A 39 -8.856 14.187 -1.998 1.00 0.00 C ATOM 551 CG LEU A 39 -10.017 14.641 -2.885 1.00 0.00 C ATOM 552 CD1 LEU A 39 -11.179 15.134 -2.035 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.560 15.725 -3.848 1.00 0.00 C ATOM 0 H LEU A 39 -7.208 13.289 -0.395 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.003 13.092 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.598 15.000 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.985 14.009 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.359 13.786 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.995 15.453 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.524 14.328 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.852 15.975 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.399 16.036 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.191 16.581 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.762 15.337 -4.481 1.00 0.00 H new ATOM 565 N LEU A 40 -8.353 11.285 -2.775 1.00 0.00 N ATOM 566 CA LEU A 40 -8.473 10.163 -3.700 1.00 0.00 C ATOM 567 C LEU A 40 -8.840 8.880 -2.961 1.00 0.00 C ATOM 568 O LEU A 40 -9.478 7.989 -3.523 1.00 0.00 O ATOM 569 CB LEU A 40 -7.159 9.972 -4.467 1.00 0.00 C ATOM 570 CG LEU A 40 -7.113 8.759 -5.399 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.342 9.092 -6.667 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.479 7.568 -4.693 1.00 0.00 C ATOM 0 H LEU A 40 -7.411 11.670 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.272 10.388 -4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.968 10.869 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.346 9.886 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.135 8.496 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.319 8.219 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.831 9.918 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.323 9.379 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.454 6.714 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.463 7.822 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.066 7.314 -3.810 1.00 0.00 H new ATOM 584 N GLN A 41 -8.441 8.798 -1.698 1.00 0.00 N ATOM 585 CA GLN A 41 -8.718 7.622 -0.885 1.00 0.00 C ATOM 586 C GLN A 41 -10.206 7.494 -0.578 1.00 0.00 C ATOM 587 O GLN A 41 -10.815 6.458 -0.838 1.00 0.00 O ATOM 588 CB GLN A 41 -7.918 7.684 0.416 1.00 0.00 C ATOM 589 CG GLN A 41 -6.777 6.682 0.476 1.00 0.00 C ATOM 590 CD GLN A 41 -7.250 5.252 0.309 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.322 4.736 -0.807 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.574 4.601 1.420 1.00 0.00 N ATOM 0 H GLN A 41 -7.924 9.533 -1.215 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.416 6.743 -1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.515 8.689 0.537 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.591 7.507 1.255 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.052 6.915 -0.304 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.261 6.781 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.499 5.067 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.897 3.635 1.369 1.00 0.00 H new ATOM 601 N ARG A 42 -10.789 8.555 -0.030 1.00 0.00 N ATOM 602 CA ARG A 42 -12.206 8.552 0.319 1.00 0.00 C ATOM 603 C ARG A 42 -13.086 8.606 -0.927 1.00 0.00 C ATOM 604 O ARG A 42 -14.184 8.048 -0.945 1.00 0.00 O ATOM 605 CB ARG A 42 -12.527 9.735 1.234 1.00 0.00 C ATOM 606 CG ARG A 42 -13.953 9.728 1.759 1.00 0.00 C ATOM 607 CD ARG A 42 -14.224 10.925 2.655 1.00 0.00 C ATOM 608 NE ARG A 42 -15.563 10.883 3.232 1.00 0.00 N ATOM 609 CZ ARG A 42 -15.997 11.737 4.154 1.00 0.00 C ATOM 610 NH1 ARG A 42 -15.202 12.702 4.597 1.00 0.00 N ATOM 611 NH2 ARG A 42 -17.228 11.626 4.632 1.00 0.00 N ATOM 0 H ARG A 42 -10.304 9.427 0.182 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.418 7.621 0.844 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.838 9.728 2.078 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.354 10.663 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.650 9.735 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.132 8.808 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.485 10.953 3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.106 11.843 2.079 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.203 10.157 2.910 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.254 12.791 4.230 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.538 13.355 5.304 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.842 10.886 4.293 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.561 12.281 5.339 1.00 0.00 H new ATOM 625 N ASN A 43 -12.599 9.281 -1.964 1.00 0.00 N ATOM 626 CA ASN A 43 -13.346 9.415 -3.212 1.00 0.00 C ATOM 627 C ASN A 43 -13.649 8.051 -3.827 1.00 0.00 C ATOM 628 O ASN A 43 -14.790 7.768 -4.194 1.00 0.00 O ATOM 629 CB ASN A 43 -12.558 10.274 -4.205 1.00 0.00 C ATOM 630 CG ASN A 43 -13.378 10.674 -5.417 1.00 0.00 C ATOM 631 OD1 ASN A 43 -14.281 9.951 -5.840 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.066 11.834 -5.984 1.00 0.00 N ATOM 0 H ASN A 43 -11.690 9.744 -1.966 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.295 9.901 -2.986 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.203 11.172 -3.700 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.676 9.724 -4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.582 12.157 -6.802 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.310 12.402 -5.601 1.00 0.00 H new ATOM 639 N PHE A 44 -12.627 7.208 -3.936 1.00 0.00 N ATOM 640 CA PHE A 44 -12.796 5.878 -4.510 1.00 0.00 C ATOM 641 C PHE A 44 -13.457 4.924 -3.518 1.00 0.00 C ATOM 642 O PHE A 44 -14.374 4.185 -3.874 1.00 0.00 O ATOM 643 CB PHE A 44 -11.450 5.314 -4.968 1.00 0.00 C ATOM 644 CG PHE A 44 -11.024 5.814 -6.321 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.367 7.027 -6.453 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.283 5.069 -7.460 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.978 7.488 -7.698 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.897 5.524 -8.707 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.243 6.735 -8.826 1.00 0.00 C ATOM 0 H PHE A 44 -11.676 7.421 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.451 5.973 -5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.686 5.575 -4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.509 4.226 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.156 7.619 -5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.793 4.121 -7.373 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.468 8.436 -7.788 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.106 4.934 -9.587 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.939 7.093 -9.799 1.00 0.00 H new ATOM 659 N MET A 45 -12.991 4.945 -2.272 1.00 0.00 N ATOM 660 CA MET A 45 -13.544 4.077 -1.235 1.00 0.00 C ATOM 661 C MET A 45 -15.040 4.316 -1.058 1.00 0.00 C ATOM 662 O MET A 45 -15.767 3.434 -0.603 1.00 0.00 O ATOM 663 CB MET A 45 -12.821 4.299 0.095 1.00 0.00 C ATOM 664 CG MET A 45 -11.433 3.680 0.145 1.00 0.00 C ATOM 665 SD MET A 45 -10.645 3.870 1.757 1.00 0.00 S ATOM 666 CE MET A 45 -11.753 2.918 2.793 1.00 0.00 C ATOM 0 H MET A 45 -12.234 5.551 -1.956 1.00 0.00 H new ATOM 0 HA MET A 45 -13.395 3.045 -1.552 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.739 5.370 0.280 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.425 3.882 0.901 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.503 2.620 -0.098 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.806 4.141 -0.618 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.235 2.624 3.706 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.623 3.523 3.048 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.076 2.026 2.256 1.00 0.00 H new ATOM 676 N ASP A 46 -15.493 5.513 -1.419 1.00 0.00 N ATOM 677 CA ASP A 46 -16.904 5.863 -1.298 1.00 0.00 C ATOM 678 C ASP A 46 -17.765 4.953 -2.170 1.00 0.00 C ATOM 679 O ASP A 46 -18.916 4.667 -1.839 1.00 0.00 O ATOM 680 CB ASP A 46 -17.124 7.325 -1.691 1.00 0.00 C ATOM 681 CG ASP A 46 -18.581 7.735 -1.601 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.004 8.195 -0.520 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.301 7.598 -2.613 1.00 0.00 O ATOM 0 H ASP A 46 -14.905 6.255 -1.797 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.200 5.727 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.528 7.966 -1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.767 7.482 -2.709 1.00 0.00 H new ATOM 688 N LYS A 47 -17.200 4.507 -3.286 1.00 0.00 N ATOM 689 CA LYS A 47 -17.910 3.630 -4.210 1.00 0.00 C ATOM 690 C LYS A 47 -17.611 2.167 -3.911 1.00 0.00 C ATOM 691 O LYS A 47 -18.511 1.329 -3.876 1.00 0.00 O ATOM 692 CB LYS A 47 -17.507 3.949 -5.648 1.00 0.00 C ATOM 693 CG LYS A 47 -18.384 3.279 -6.696 1.00 0.00 C ATOM 694 CD LYS A 47 -19.828 3.750 -6.606 1.00 0.00 C ATOM 695 CE LYS A 47 -20.704 3.054 -7.636 1.00 0.00 C ATOM 696 NZ LYS A 47 -22.128 3.474 -7.526 1.00 0.00 N ATOM 0 H LYS A 47 -16.249 4.739 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.979 3.800 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.543 5.029 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.473 3.641 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.992 3.494 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.345 2.198 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.214 3.554 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.871 4.828 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.335 3.278 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.632 1.974 -7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.693 2.978 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.488 3.238 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.200 4.500 -7.677 1.00 0.00 H new ATOM 710 N TYR A 48 -16.333 1.873 -3.706 1.00 0.00 N ATOM 711 CA TYR A 48 -15.888 0.513 -3.415 1.00 0.00 C ATOM 712 C TYR A 48 -16.648 -0.094 -2.236 1.00 0.00 C ATOM 713 O TYR A 48 -17.171 -1.204 -2.331 1.00 0.00 O ATOM 714 CB TYR A 48 -14.388 0.500 -3.111 1.00 0.00 C ATOM 715 CG TYR A 48 -13.503 0.537 -4.339 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.620 1.555 -5.277 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.545 -0.447 -4.556 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.809 1.591 -6.395 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.729 -0.416 -5.671 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.866 0.604 -6.587 1.00 0.00 C ATOM 721 OH TYR A 48 -11.055 0.638 -7.697 1.00 0.00 O ATOM 0 H TYR A 48 -15.581 2.562 -3.736 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.092 -0.090 -4.299 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.150 1.356 -2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.154 -0.395 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.357 2.331 -5.130 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.437 -1.249 -3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.913 2.389 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.988 -1.187 -5.823 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.138 0.852 -7.426 1.00 0.00 H new ATOM 731 N TYR A 49 -16.708 0.638 -1.127 1.00 0.00 N ATOM 732 CA TYR A 49 -17.385 0.153 0.073 1.00 0.00 C ATOM 733 C TYR A 49 -18.869 -0.109 -0.186 1.00 0.00 C ATOM 734 O TYR A 49 -19.497 -0.899 0.521 1.00 0.00 O ATOM 735 CB TYR A 49 -17.199 1.146 1.231 1.00 0.00 C ATOM 736 CG TYR A 49 -18.407 2.011 1.524 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.618 3.200 0.839 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.333 1.638 2.491 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.718 3.993 1.109 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.435 2.425 2.766 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.622 3.601 2.072 1.00 0.00 C ATOM 742 OH TYR A 49 -21.718 4.389 2.343 1.00 0.00 O ATOM 0 H TYR A 49 -16.297 1.567 -1.034 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.930 -0.797 0.353 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.941 0.589 2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.352 1.794 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.912 3.510 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.189 0.717 3.037 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.868 4.915 0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.145 2.120 3.520 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.256 3.970 3.047 1.00 0.00 H new ATOM 752 N LEU A 50 -19.427 0.552 -1.196 1.00 0.00 N ATOM 753 CA LEU A 50 -20.836 0.374 -1.534 1.00 0.00 C ATOM 754 C LEU A 50 -21.066 -0.965 -2.226 1.00 0.00 C ATOM 755 O LEU A 50 -22.002 -1.693 -1.898 1.00 0.00 O ATOM 756 CB LEU A 50 -21.323 1.514 -2.433 1.00 0.00 C ATOM 757 CG LEU A 50 -21.516 2.861 -1.733 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.881 3.940 -2.742 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.592 2.753 -0.661 1.00 0.00 C ATOM 0 H LEU A 50 -18.928 1.213 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.406 0.388 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.609 1.644 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.270 1.219 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.576 3.138 -1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.014 4.891 -2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.082 4.035 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.808 3.668 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.717 3.719 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.534 2.454 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.296 2.009 0.078 1.00 0.00 H new ATOM 771 N GLU A 51 -20.203 -1.283 -3.187 1.00 0.00 N ATOM 772 CA GLU A 51 -20.311 -2.532 -3.933 1.00 0.00 C ATOM 773 C GLU A 51 -20.038 -3.736 -3.036 1.00 0.00 C ATOM 774 O GLU A 51 -20.697 -4.769 -3.153 1.00 0.00 O ATOM 775 CB GLU A 51 -19.338 -2.525 -5.113 1.00 0.00 C ATOM 776 CG GLU A 51 -19.613 -1.419 -6.120 1.00 0.00 C ATOM 777 CD GLU A 51 -18.551 -1.334 -7.198 1.00 0.00 C ATOM 778 OE1 GLU A 51 -18.694 -2.025 -8.229 1.00 0.00 O ATOM 779 OE2 GLU A 51 -17.576 -0.577 -7.011 1.00 0.00 O ATOM 0 H GLU A 51 -19.420 -0.692 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.331 -2.614 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.322 -2.416 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.388 -3.488 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.584 -1.589 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.673 -0.464 -5.598 1.00 0.00 H new ATOM 786 N PHE A 52 -19.067 -3.596 -2.136 1.00 0.00 N ATOM 787 CA PHE A 52 -18.712 -4.679 -1.224 1.00 0.00 C ATOM 788 C PHE A 52 -19.765 -4.843 -0.133 1.00 0.00 C ATOM 789 O PHE A 52 -19.674 -4.229 0.931 1.00 0.00 O ATOM 790 CB PHE A 52 -17.340 -4.425 -0.595 1.00 0.00 C ATOM 791 CG PHE A 52 -16.191 -4.875 -1.454 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.736 -4.087 -2.499 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.566 -6.089 -1.213 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.679 -4.501 -3.288 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.508 -6.508 -1.999 1.00 0.00 C ATOM 796 CZ PHE A 52 -14.064 -5.713 -3.037 1.00 0.00 C ATOM 0 H PHE A 52 -18.514 -2.747 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.669 -5.602 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.235 -3.359 -0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.289 -4.940 0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.212 -3.139 -2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.909 -6.715 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.334 -3.878 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -14.030 -7.456 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.238 -6.038 -3.652 1.00 0.00 H new ATOM 806 N GLU A 53 -20.768 -5.671 -0.408 1.00 0.00 N ATOM 807 CA GLU A 53 -21.839 -5.923 0.548 1.00 0.00 C ATOM 808 C GLU A 53 -21.584 -7.214 1.315 1.00 0.00 C ATOM 809 O GLU A 53 -21.114 -8.201 0.748 1.00 0.00 O ATOM 810 CB GLU A 53 -23.186 -6.006 -0.170 1.00 0.00 C ATOM 811 CG GLU A 53 -23.518 -4.774 -0.996 1.00 0.00 C ATOM 812 CD GLU A 53 -24.861 -4.885 -1.692 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.907 -5.450 -2.806 1.00 0.00 O ATOM 814 OE2 GLU A 53 -25.867 -4.408 -1.124 1.00 0.00 O ATOM 0 H GLU A 53 -20.861 -6.180 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.863 -5.094 1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.187 -6.880 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.972 -6.159 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.519 -3.897 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.738 -4.619 -1.741 1.00 0.00 H new ATOM 821 N ASP A 54 -21.896 -7.203 2.606 1.00 0.00 N ATOM 822 CA ASP A 54 -21.708 -8.365 3.448 1.00 0.00 C ATOM 823 C ASP A 54 -22.612 -9.510 3.002 1.00 0.00 C ATOM 824 O ASP A 54 -23.770 -9.598 3.409 1.00 0.00 O ATOM 825 CB ASP A 54 -21.996 -7.992 4.900 1.00 0.00 C ATOM 826 CG ASP A 54 -23.188 -7.065 5.034 1.00 0.00 C ATOM 827 OD1 ASP A 54 -24.322 -7.570 5.175 1.00 0.00 O ATOM 828 OD2 ASP A 54 -22.987 -5.832 5.000 1.00 0.00 O ATOM 0 H ASP A 54 -22.283 -6.393 3.090 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.675 -8.701 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -22.178 -8.899 5.476 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -21.117 -7.513 5.330 1.00 0.00 H new ATOM 833 N THR A 55 -22.074 -10.380 2.153 1.00 0.00 N ATOM 834 CA THR A 55 -22.827 -11.519 1.644 1.00 0.00 C ATOM 835 C THR A 55 -22.002 -12.798 1.717 1.00 0.00 C ATOM 836 O THR A 55 -20.914 -12.816 2.291 1.00 0.00 O ATOM 837 CB THR A 55 -23.267 -11.291 0.186 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.119 -11.076 -0.644 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.203 -10.096 0.081 1.00 0.00 C ATOM 0 H THR A 55 -21.118 -10.317 1.803 1.00 0.00 H new ATOM 0 HA THR A 55 -23.711 -11.622 2.273 1.00 0.00 H new ATOM 0 HB THR A 55 -23.800 -12.180 -0.151 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.407 -10.933 -1.570 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.499 -9.956 -0.959 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.089 -10.273 0.690 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.692 -9.201 0.436 1.00 0.00 H new ATOM 847 N GLU A 56 -22.531 -13.869 1.131 1.00 0.00 N ATOM 848 CA GLU A 56 -21.846 -15.155 1.125 1.00 0.00 C ATOM 849 C GLU A 56 -21.677 -15.675 -0.300 1.00 0.00 C ATOM 850 O GLU A 56 -20.966 -16.652 -0.534 1.00 0.00 O ATOM 851 CB GLU A 56 -22.617 -16.176 1.964 1.00 0.00 C ATOM 852 CG GLU A 56 -24.069 -16.341 1.544 1.00 0.00 C ATOM 853 CD GLU A 56 -24.798 -17.387 2.364 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.236 -17.060 3.487 1.00 0.00 O ATOM 855 OE2 GLU A 56 -24.932 -18.532 1.882 1.00 0.00 O ATOM 0 H GLU A 56 -23.433 -13.870 0.654 1.00 0.00 H new ATOM 0 HA GLU A 56 -20.858 -15.011 1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -22.116 -17.142 1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.583 -15.873 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -24.583 -15.385 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -24.109 -16.618 0.490 1.00 0.00 H new ATOM 862 N GLU A 57 -22.336 -15.014 -1.247 1.00 0.00 N ATOM 863 CA GLU A 57 -22.258 -15.406 -2.650 1.00 0.00 C ATOM 864 C GLU A 57 -21.060 -14.756 -3.332 1.00 0.00 C ATOM 865 O GLU A 57 -20.673 -13.637 -2.995 1.00 0.00 O ATOM 866 CB GLU A 57 -23.543 -15.016 -3.382 1.00 0.00 C ATOM 867 CG GLU A 57 -24.794 -15.655 -2.802 1.00 0.00 C ATOM 868 CD GLU A 57 -26.056 -15.223 -3.520 1.00 0.00 C ATOM 869 OE1 GLU A 57 -26.421 -15.871 -4.524 1.00 0.00 O ATOM 870 OE2 GLU A 57 -26.678 -14.233 -3.081 1.00 0.00 O ATOM 0 H GLU A 57 -22.930 -14.204 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 57 -22.135 -16.488 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.653 -13.932 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.454 -15.299 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -24.702 -16.740 -2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -24.874 -15.395 -1.746 1.00 0.00 H new ATOM 877 N ASN A 58 -20.476 -15.465 -4.293 1.00 0.00 N ATOM 878 CA ASN A 58 -19.323 -14.956 -5.026 1.00 0.00 C ATOM 879 C ASN A 58 -19.762 -14.270 -6.316 1.00 0.00 C ATOM 880 O ASN A 58 -20.612 -14.783 -7.045 1.00 0.00 O ATOM 881 CB ASN A 58 -18.352 -16.095 -5.342 1.00 0.00 C ATOM 882 CG ASN A 58 -17.882 -16.814 -4.094 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.785 -16.222 -3.020 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.585 -18.102 -4.230 1.00 0.00 N ATOM 0 H ASN A 58 -20.783 -16.394 -4.582 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.817 -14.222 -4.399 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.837 -16.808 -6.008 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.489 -15.696 -5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.262 -18.639 -3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.680 -18.554 -5.139 1.00 0.00 H new ATOM 891 N LYS A 59 -19.181 -13.107 -6.592 1.00 0.00 N ATOM 892 CA LYS A 59 -19.517 -12.349 -7.793 1.00 0.00 C ATOM 893 C LYS A 59 -18.279 -12.099 -8.650 1.00 0.00 C ATOM 894 O LYS A 59 -17.167 -11.989 -8.133 1.00 0.00 O ATOM 895 CB LYS A 59 -20.169 -11.018 -7.410 1.00 0.00 C ATOM 896 CG LYS A 59 -21.409 -11.179 -6.543 1.00 0.00 C ATOM 897 CD LYS A 59 -21.978 -9.834 -6.116 1.00 0.00 C ATOM 898 CE LYS A 59 -22.579 -9.079 -7.290 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.588 -9.896 -8.021 1.00 0.00 N ATOM 0 H LYS A 59 -18.475 -12.668 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.222 -12.938 -8.379 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.441 -10.405 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.438 -10.479 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.167 -11.736 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.161 -11.766 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.741 -9.988 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.190 -9.233 -5.662 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.046 -8.162 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.785 -8.784 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.205 -9.270 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.102 -10.558 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.162 -10.431 -7.338 1.00 0.00 H new ATOM 913 N LEU A 60 -18.478 -12.016 -9.960 1.00 0.00 N ATOM 914 CA LEU A 60 -17.379 -11.780 -10.890 1.00 0.00 C ATOM 915 C LEU A 60 -16.974 -10.307 -10.896 1.00 0.00 C ATOM 916 O LEU A 60 -15.954 -9.937 -11.476 1.00 0.00 O ATOM 917 CB LEU A 60 -17.778 -12.219 -12.302 1.00 0.00 C ATOM 918 CG LEU A 60 -18.148 -13.698 -12.447 1.00 0.00 C ATOM 919 CD1 LEU A 60 -18.657 -13.983 -13.851 1.00 0.00 C ATOM 920 CD2 LEU A 60 -16.954 -14.585 -12.125 1.00 0.00 C ATOM 0 H LEU A 60 -19.392 -12.109 -10.403 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.523 -12.369 -10.560 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.626 -11.616 -12.626 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.953 -12.000 -12.980 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.944 -13.923 -11.737 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.915 -15.038 -13.937 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -19.541 -13.376 -14.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -17.880 -13.739 -14.576 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.238 -15.632 -12.234 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.137 -14.358 -12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.631 -14.402 -11.100 1.00 0.00 H new ATOM 932 N ILE A 61 -17.781 -9.474 -10.241 1.00 0.00 N ATOM 933 CA ILE A 61 -17.514 -8.039 -10.173 1.00 0.00 C ATOM 934 C ILE A 61 -16.298 -7.742 -9.295 1.00 0.00 C ATOM 935 O ILE A 61 -15.736 -6.645 -9.341 1.00 0.00 O ATOM 936 CB ILE A 61 -18.737 -7.271 -9.626 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.559 -5.763 -9.819 1.00 0.00 C ATOM 938 CG2 ILE A 61 -18.956 -7.597 -8.155 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.554 -5.334 -11.270 1.00 0.00 C ATOM 0 H ILE A 61 -18.625 -9.769 -9.750 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.307 -7.704 -11.189 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.618 -7.586 -10.186 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.361 -5.241 -9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.623 -5.454 -9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -19.822 -7.047 -7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.130 -8.667 -8.041 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.073 -7.310 -7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.424 -4.253 -11.329 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.734 -5.827 -11.792 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.500 -5.612 -11.735 1.00 0.00 H new ATOM 951 N TYR A 62 -15.890 -8.727 -8.502 1.00 0.00 N ATOM 952 CA TYR A 62 -14.747 -8.562 -7.613 1.00 0.00 C ATOM 953 C TYR A 62 -13.434 -8.515 -8.391 1.00 0.00 C ATOM 954 O TYR A 62 -12.429 -8.011 -7.889 1.00 0.00 O ATOM 955 CB TYR A 62 -14.700 -9.692 -6.581 1.00 0.00 C ATOM 956 CG TYR A 62 -15.797 -9.617 -5.540 1.00 0.00 C ATOM 957 CD1 TYR A 62 -15.925 -8.504 -4.717 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.701 -10.659 -5.380 1.00 0.00 C ATOM 959 CE1 TYR A 62 -16.923 -8.434 -3.764 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.702 -10.595 -4.428 1.00 0.00 C ATOM 961 CZ TYR A 62 -17.809 -9.481 -3.623 1.00 0.00 C ATOM 962 OH TYR A 62 -18.803 -9.414 -2.675 1.00 0.00 O ATOM 0 H TYR A 62 -16.332 -9.645 -8.457 1.00 0.00 H new ATOM 0 HA TYR A 62 -14.870 -7.610 -7.096 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.770 -10.648 -7.100 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.733 -9.672 -6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.234 -7.681 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.621 -11.533 -6.009 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.009 -7.562 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.397 -11.414 -4.316 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.341 -10.232 -2.707 1.00 0.00 H new ATOM 972 N THR A 63 -13.442 -9.036 -9.617 1.00 0.00 N ATOM 973 CA THR A 63 -12.235 -9.044 -10.439 1.00 0.00 C ATOM 974 C THR A 63 -11.941 -7.656 -11.019 1.00 0.00 C ATOM 975 O THR A 63 -10.828 -7.152 -10.867 1.00 0.00 O ATOM 976 CB THR A 63 -12.320 -10.082 -11.580 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.522 -11.391 -11.034 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.051 -10.070 -12.421 1.00 0.00 C ATOM 0 H THR A 63 -14.261 -9.453 -10.058 1.00 0.00 H new ATOM 0 HA THR A 63 -11.415 -9.328 -9.780 1.00 0.00 H new ATOM 0 HB THR A 63 -13.163 -9.818 -12.219 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.577 -12.044 -11.762 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.135 -10.809 -13.218 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.913 -9.081 -12.857 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.195 -10.311 -11.791 1.00 0.00 H new ATOM 986 N PRO A 64 -12.920 -7.012 -11.694 1.00 0.00 N ATOM 987 CA PRO A 64 -12.722 -5.675 -12.267 1.00 0.00 C ATOM 988 C PRO A 64 -12.421 -4.634 -11.194 1.00 0.00 C ATOM 989 O PRO A 64 -11.540 -3.791 -11.365 1.00 0.00 O ATOM 990 CB PRO A 64 -14.058 -5.363 -12.952 1.00 0.00 C ATOM 991 CG PRO A 64 -14.719 -6.684 -13.130 1.00 0.00 C ATOM 992 CD PRO A 64 -14.275 -7.521 -11.968 1.00 0.00 C ATOM 0 HA PRO A 64 -11.871 -5.649 -12.948 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.667 -4.696 -12.342 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.904 -4.867 -13.910 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.804 -6.580 -13.145 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.429 -7.142 -14.076 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.934 -7.400 -11.108 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.265 -8.583 -12.215 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.159 -4.699 -10.086 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.964 -3.760 -8.985 1.00 0.00 C ATOM 1002 C ILE A 65 -11.554 -3.871 -8.410 1.00 0.00 C ATOM 1003 O ILE A 65 -10.877 -2.864 -8.203 1.00 0.00 O ATOM 1004 CB ILE A 65 -13.990 -3.993 -7.856 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.413 -3.796 -8.382 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.717 -3.056 -6.687 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.488 -4.169 -7.382 1.00 0.00 C ATOM 0 H ILE A 65 -13.894 -5.389 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.108 -2.760 -9.394 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.891 -5.020 -7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.543 -2.753 -8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.544 -4.395 -9.283 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.450 -3.234 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.715 -3.241 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.790 -2.022 -7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.470 -4.003 -7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.385 -5.220 -7.112 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.384 -3.553 -6.489 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.121 -5.102 -8.155 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.793 -5.349 -7.598 1.00 0.00 C ATOM 1021 C PHE A 66 -8.701 -4.816 -8.521 1.00 0.00 C ATOM 1022 O PHE A 66 -7.807 -4.088 -8.084 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.593 -6.847 -7.360 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.297 -7.184 -6.678 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.182 -7.101 -5.300 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.196 -7.586 -7.416 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -6.992 -7.413 -4.671 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.003 -7.898 -6.793 1.00 0.00 C ATOM 1029 CZ PHE A 66 -5.901 -7.812 -5.419 1.00 0.00 C ATOM 0 H PHE A 66 -11.670 -5.945 -8.325 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.721 -4.821 -6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.419 -7.223 -6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.635 -7.367 -8.317 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.032 -6.789 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.271 -7.656 -8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.915 -7.345 -3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.151 -8.209 -7.380 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.970 -8.056 -4.929 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.777 -5.183 -9.796 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.794 -4.742 -10.782 1.00 0.00 C ATOM 1041 C ASN A 67 -7.755 -3.220 -10.872 1.00 0.00 C ATOM 1042 O ASN A 67 -6.729 -2.633 -11.215 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.116 -5.335 -12.155 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.088 -6.851 -12.153 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.338 -7.469 -11.397 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.908 -7.458 -13.002 1.00 0.00 N ATOM 0 H ASN A 67 -9.509 -5.785 -10.172 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.814 -5.094 -10.461 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.101 -4.993 -12.473 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.398 -4.962 -12.886 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.934 -8.477 -13.046 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.512 -6.906 -13.610 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.883 -2.587 -10.561 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.981 -1.133 -10.605 1.00 0.00 C ATOM 1055 C GLU A 68 -8.230 -0.503 -9.435 1.00 0.00 C ATOM 1056 O GLU A 68 -7.510 0.478 -9.604 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.448 -0.699 -10.581 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.639 0.807 -10.660 1.00 0.00 C ATOM 1059 CD GLU A 68 -10.065 1.402 -11.932 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -8.875 1.781 -11.924 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -10.806 1.490 -12.933 1.00 0.00 O ATOM 0 H GLU A 68 -9.741 -3.059 -10.276 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.524 -0.789 -11.533 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.970 -1.167 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.912 -1.068 -9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.703 1.038 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.164 1.275 -9.798 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.407 -1.078 -8.249 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.745 -0.580 -7.046 1.00 0.00 C ATOM 1070 C TYR A 69 -6.229 -0.640 -7.200 1.00 0.00 C ATOM 1071 O TYR A 69 -5.500 0.196 -6.662 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.182 -1.405 -5.834 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.661 -0.881 -4.514 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.328 0.132 -3.838 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.509 -1.406 -3.941 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.860 0.610 -2.629 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.036 -0.933 -2.730 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.715 0.074 -2.079 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.247 0.545 -0.874 1.00 0.00 O ATOM 0 H TYR A 69 -9.004 -1.890 -8.095 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.034 0.460 -6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.271 -1.431 -5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.843 -2.432 -5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.227 0.553 -4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.975 -2.195 -4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.389 1.400 -2.117 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.139 -1.351 -2.297 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.432 0.060 -0.627 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.762 -1.638 -7.938 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.336 -1.818 -8.169 1.00 0.00 C ATOM 1091 C ILE A 70 -3.796 -0.783 -9.152 1.00 0.00 C ATOM 1092 O ILE A 70 -2.886 -0.021 -8.831 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.040 -3.233 -8.704 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.562 -4.289 -7.722 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.549 -3.412 -8.955 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -3.862 -4.277 -6.378 1.00 0.00 C ATOM 0 H ILE A 70 -6.353 -2.337 -8.388 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.836 -1.684 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.557 -3.362 -9.655 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.629 -4.130 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.449 -5.276 -8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.362 -4.417 -9.332 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.213 -2.680 -9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.003 -3.267 -8.023 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.287 -5.052 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.798 -4.467 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.997 -3.304 -5.906 1.00 0.00 H new ATOM 1108 N SER A 71 -4.368 -0.755 -10.349 1.00 0.00 N ATOM 1109 CA SER A 71 -3.938 0.180 -11.383 1.00 0.00 C ATOM 1110 C SER A 71 -4.112 1.630 -10.940 1.00 0.00 C ATOM 1111 O SER A 71 -3.409 2.516 -11.420 1.00 0.00 O ATOM 1112 CB SER A 71 -4.719 -0.065 -12.675 1.00 0.00 C ATOM 1113 OG SER A 71 -4.491 -1.373 -13.171 1.00 0.00 O ATOM 0 H SER A 71 -5.132 -1.370 -10.629 1.00 0.00 H new ATOM 0 HA SER A 71 -2.877 0.008 -11.561 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.784 0.077 -12.492 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.424 0.668 -13.426 1.00 0.00 H new ATOM 0 HG SER A 71 -5.072 -2.007 -12.701 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.062 1.876 -10.044 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.310 3.232 -9.564 1.00 0.00 C ATOM 1121 C LEU A 72 -4.476 3.567 -8.327 1.00 0.00 C ATOM 1122 O LEU A 72 -3.618 4.450 -8.367 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.807 3.410 -9.263 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.270 4.837 -8.922 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -7.010 5.161 -7.458 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.594 5.862 -9.824 1.00 0.00 C ATOM 0 H LEU A 72 -5.668 1.163 -9.638 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.009 3.924 -10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.373 3.064 -10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.068 2.758 -8.430 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.345 4.886 -9.096 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.347 6.175 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.554 4.458 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.943 5.082 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.939 6.862 -9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.513 5.805 -9.693 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.845 5.653 -10.864 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.726 2.852 -7.231 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.016 3.096 -5.976 1.00 0.00 C ATOM 1140 C VAL A 73 -2.583 2.569 -5.993 1.00 0.00 C ATOM 1141 O VAL A 73 -1.632 3.339 -5.851 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.761 2.474 -4.780 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.088 2.854 -3.470 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.220 2.903 -4.782 1.00 0.00 C ATOM 0 H VAL A 73 -5.414 2.100 -7.186 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.980 4.180 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.722 1.389 -4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.630 2.404 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.060 2.492 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.091 3.939 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.732 2.455 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.280 3.989 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.695 2.573 -5.706 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.432 1.257 -6.162 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.107 0.634 -6.165 1.00 0.00 C ATOM 1156 C GLU A 74 -0.167 1.313 -7.157 1.00 0.00 C ATOM 1157 O GLU A 74 1.022 1.479 -6.882 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.211 -0.861 -6.479 1.00 0.00 C ATOM 1159 CG GLU A 74 0.116 -1.595 -6.373 1.00 0.00 C ATOM 1160 CD GLU A 74 -0.013 -3.081 -6.643 1.00 0.00 C ATOM 1161 OE1 GLU A 74 -0.451 -3.815 -5.733 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.326 -3.512 -7.765 1.00 0.00 O ATOM 0 H GLU A 74 -3.206 0.606 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.689 0.758 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.926 -1.319 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.607 -0.986 -7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.823 -1.162 -7.080 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.530 -1.446 -5.376 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.700 1.707 -8.308 1.00 0.00 N ATOM 1170 CA LYS A 75 0.106 2.366 -9.330 1.00 0.00 C ATOM 1171 C LYS A 75 0.444 3.793 -8.915 1.00 0.00 C ATOM 1172 O LYS A 75 1.537 4.286 -9.193 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.629 2.372 -10.670 1.00 0.00 C ATOM 1174 CG LYS A 75 0.260 2.723 -11.852 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.551 2.943 -13.120 1.00 0.00 C ATOM 1176 CE LYS A 75 -1.357 4.231 -13.051 1.00 0.00 C ATOM 1177 NZ LYS A 75 -2.198 4.425 -14.265 1.00 0.00 N ATOM 0 H LYS A 75 -1.681 1.583 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 75 1.035 1.807 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.070 1.389 -10.837 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.451 3.086 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.830 3.624 -11.624 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.981 1.922 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.118 2.977 -13.980 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.224 2.099 -13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.994 4.214 -12.167 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.680 5.078 -12.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.732 5.314 -14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.588 4.467 -15.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.862 3.630 -14.358 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.500 4.455 -8.251 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.297 5.827 -7.796 1.00 0.00 C ATOM 1193 C TYR A 76 0.892 5.912 -6.841 1.00 0.00 C ATOM 1194 O TYR A 76 1.684 6.853 -6.903 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.561 6.352 -7.110 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.454 7.787 -6.641 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.459 8.837 -7.550 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.348 8.090 -5.289 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.362 10.149 -7.126 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.250 9.399 -4.857 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.257 10.425 -5.778 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.160 11.729 -5.351 1.00 0.00 O ATOM 0 H TYR A 76 -1.412 4.064 -8.016 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.084 6.446 -8.667 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.399 6.268 -7.801 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.789 5.716 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.540 8.625 -8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.342 7.289 -4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.368 10.954 -7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.168 9.617 -3.802 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.094 11.749 -4.373 1.00 0.00 H new ATOM 1212 N ILE A 77 1.014 4.920 -5.964 1.00 0.00 N ATOM 1213 CA ILE A 77 2.105 4.884 -4.998 1.00 0.00 C ATOM 1214 C ILE A 77 3.443 4.647 -5.692 1.00 0.00 C ATOM 1215 O ILE A 77 4.412 5.366 -5.453 1.00 0.00 O ATOM 1216 CB ILE A 77 1.894 3.779 -3.944 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.537 3.944 -3.256 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.020 3.805 -2.918 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.196 2.812 -2.307 1.00 0.00 C ATOM 0 H ILE A 77 0.371 4.131 -5.903 1.00 0.00 H new ATOM 0 HA ILE A 77 2.115 5.854 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 77 1.906 2.813 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.531 4.884 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.240 4.016 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.858 3.019 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.973 3.640 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.035 4.774 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.779 2.996 -1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.169 1.871 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.952 2.753 -1.524 1.00 0.00 H new ATOM 1231 N GLU A 78 3.483 3.632 -6.550 1.00 0.00 N ATOM 1232 CA GLU A 78 4.701 3.288 -7.274 1.00 0.00 C ATOM 1233 C GLU A 78 5.219 4.474 -8.084 1.00 0.00 C ATOM 1234 O GLU A 78 6.392 4.829 -7.997 1.00 0.00 O ATOM 1235 CB GLU A 78 4.446 2.096 -8.200 1.00 0.00 C ATOM 1236 CG GLU A 78 5.690 1.610 -8.926 1.00 0.00 C ATOM 1237 CD GLU A 78 5.410 0.435 -9.842 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.452 -0.716 -9.360 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.147 0.666 -11.042 1.00 0.00 O ATOM 0 H GLU A 78 2.685 3.033 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 78 5.461 3.019 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.033 1.274 -7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.692 2.374 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.108 2.430 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.445 1.323 -8.194 1.00 0.00 H new ATOM 1246 N GLU A 79 4.337 5.084 -8.865 1.00 0.00 N ATOM 1247 CA GLU A 79 4.703 6.224 -9.702 1.00 0.00 C ATOM 1248 C GLU A 79 5.375 7.332 -8.893 1.00 0.00 C ATOM 1249 O GLU A 79 6.479 7.767 -9.222 1.00 0.00 O ATOM 1250 CB GLU A 79 3.465 6.781 -10.407 1.00 0.00 C ATOM 1251 CG GLU A 79 2.896 5.854 -11.466 1.00 0.00 C ATOM 1252 CD GLU A 79 3.859 5.623 -12.614 1.00 0.00 C ATOM 1253 OE1 GLU A 79 4.677 4.683 -12.522 1.00 0.00 O ATOM 1254 OE2 GLU A 79 3.797 6.382 -13.603 1.00 0.00 O ATOM 0 H GLU A 79 3.358 4.808 -8.938 1.00 0.00 H new ATOM 0 HA GLU A 79 5.419 5.867 -10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.695 6.984 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.720 7.734 -10.870 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.644 4.897 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.969 6.276 -11.853 1.00 0.00 H new ATOM 1261 N GLN A 80 4.706 7.781 -7.836 1.00 0.00 N ATOM 1262 CA GLN A 80 5.231 8.854 -6.994 1.00 0.00 C ATOM 1263 C GLN A 80 6.592 8.505 -6.394 1.00 0.00 C ATOM 1264 O GLN A 80 7.419 9.388 -6.167 1.00 0.00 O ATOM 1265 CB GLN A 80 4.241 9.175 -5.872 1.00 0.00 C ATOM 1266 CG GLN A 80 2.912 9.721 -6.369 1.00 0.00 C ATOM 1267 CD GLN A 80 3.062 11.029 -7.124 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.294 11.319 -8.043 1.00 0.00 O ATOM 1269 NE2 GLN A 80 4.050 11.829 -6.738 1.00 0.00 N ATOM 0 H GLN A 80 3.799 7.420 -7.541 1.00 0.00 H new ATOM 0 HA GLN A 80 5.365 9.728 -7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.058 8.271 -5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.693 9.902 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.441 8.983 -7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.245 9.871 -5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.663 11.550 -5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.196 12.723 -7.208 1.00 0.00 H new ATOM 1278 N LEU A 81 6.821 7.221 -6.138 1.00 0.00 N ATOM 1279 CA LEU A 81 8.082 6.777 -5.550 1.00 0.00 C ATOM 1280 C LEU A 81 9.191 6.719 -6.592 1.00 0.00 C ATOM 1281 O LEU A 81 10.342 7.055 -6.315 1.00 0.00 O ATOM 1282 CB LEU A 81 7.909 5.399 -4.908 1.00 0.00 C ATOM 1283 CG LEU A 81 7.024 5.368 -3.661 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.736 3.932 -3.252 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.684 6.125 -2.519 1.00 0.00 C ATOM 0 H LEU A 81 6.154 6.472 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 81 8.366 7.502 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.488 4.721 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.894 5.012 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 81 6.079 5.857 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.105 3.926 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.222 3.418 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.674 3.421 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.040 6.092 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.643 5.664 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.843 7.162 -2.814 1.00 0.00 H new ATOM 1297 N LEU A 82 8.828 6.293 -7.794 1.00 0.00 N ATOM 1298 CA LEU A 82 9.782 6.155 -8.885 1.00 0.00 C ATOM 1299 C LEU A 82 10.269 7.513 -9.378 1.00 0.00 C ATOM 1300 O LEU A 82 11.345 7.616 -9.965 1.00 0.00 O ATOM 1301 CB LEU A 82 9.148 5.365 -10.034 1.00 0.00 C ATOM 1302 CG LEU A 82 8.874 3.873 -9.765 1.00 0.00 C ATOM 1303 CD1 LEU A 82 9.790 3.006 -10.613 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.043 3.514 -8.293 1.00 0.00 C ATOM 0 H LEU A 82 7.872 6.035 -8.039 1.00 0.00 H new ATOM 0 HA LEU A 82 10.649 5.612 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.205 5.844 -10.300 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.801 5.442 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 82 7.835 3.684 -10.036 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.585 1.955 -10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.614 3.215 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.829 3.226 -10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.840 2.452 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.064 3.733 -7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.346 4.100 -7.693 1.00 0.00 H new ATOM 1316 N GLN A 83 9.472 8.550 -9.140 1.00 0.00 N ATOM 1317 CA GLN A 83 9.838 9.899 -9.558 1.00 0.00 C ATOM 1318 C GLN A 83 11.178 10.304 -8.951 1.00 0.00 C ATOM 1319 O GLN A 83 11.826 11.239 -9.420 1.00 0.00 O ATOM 1320 CB GLN A 83 8.754 10.900 -9.153 1.00 0.00 C ATOM 1321 CG GLN A 83 7.469 10.762 -9.953 1.00 0.00 C ATOM 1322 CD GLN A 83 6.475 11.869 -9.659 1.00 0.00 C ATOM 1323 OE1 GLN A 83 6.427 12.398 -8.550 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.677 12.226 -10.659 1.00 0.00 N ATOM 0 H GLN A 83 8.573 8.483 -8.662 1.00 0.00 H new ATOM 0 HA GLN A 83 9.931 9.905 -10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.529 10.770 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 83 9.141 11.912 -9.275 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.706 10.765 -11.017 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.010 9.799 -9.732 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.752 11.759 -11.563 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.989 12.967 -10.523 1.00 0.00 H new ATOM 1333 N ARG A 84 11.583 9.592 -7.903 1.00 0.00 N ATOM 1334 CA ARG A 84 12.843 9.869 -7.226 1.00 0.00 C ATOM 1335 C ARG A 84 13.746 8.637 -7.220 1.00 0.00 C ATOM 1336 O ARG A 84 14.939 8.734 -6.934 1.00 0.00 O ATOM 1337 CB ARG A 84 12.577 10.330 -5.793 1.00 0.00 C ATOM 1338 CG ARG A 84 11.672 11.548 -5.709 1.00 0.00 C ATOM 1339 CD ARG A 84 11.400 11.945 -4.268 1.00 0.00 C ATOM 1340 NE ARG A 84 10.515 13.103 -4.181 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.964 13.530 -3.048 1.00 0.00 C ATOM 1342 NH1 ARG A 84 10.204 12.894 -1.910 1.00 0.00 N ATOM 1343 NH2 ARG A 84 9.171 14.592 -3.054 1.00 0.00 N ATOM 0 H ARG A 84 11.054 8.817 -7.504 1.00 0.00 H new ATOM 0 HA ARG A 84 13.354 10.663 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.124 9.511 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.527 10.559 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.135 12.383 -6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.729 11.337 -6.213 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.952 11.105 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.343 12.170 -3.769 1.00 0.00 H new ATOM 0 HE ARG A 84 10.307 13.614 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.812 12.075 -1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.780 13.223 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.983 15.083 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.749 14.918 -2.185 1.00 0.00 H new ATOM 1357 N ILE A 85 13.170 7.478 -7.538 1.00 0.00 N ATOM 1358 CA ILE A 85 13.926 6.229 -7.566 1.00 0.00 C ATOM 1359 C ILE A 85 13.623 5.426 -8.834 1.00 0.00 C ATOM 1360 O ILE A 85 12.667 4.652 -8.867 1.00 0.00 O ATOM 1361 CB ILE A 85 13.612 5.352 -6.337 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.665 6.186 -5.054 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.592 4.189 -6.258 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.135 5.457 -3.835 1.00 0.00 C ATOM 0 H ILE A 85 12.184 7.379 -7.779 1.00 0.00 H new ATOM 0 HA ILE A 85 14.981 6.502 -7.552 1.00 0.00 H new ATOM 0 HB ILE A 85 12.604 4.952 -6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.696 6.486 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.089 7.099 -5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.361 3.577 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.510 3.582 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.608 4.574 -6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.203 6.108 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.094 5.180 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.726 4.558 -3.663 1.00 0.00 H new ATOM 1376 N PRO A 86 14.431 5.601 -9.899 1.00 0.00 N ATOM 1377 CA PRO A 86 14.239 4.886 -11.166 1.00 0.00 C ATOM 1378 C PRO A 86 14.631 3.415 -11.075 1.00 0.00 C ATOM 1379 O PRO A 86 14.375 2.637 -11.994 1.00 0.00 O ATOM 1380 CB PRO A 86 15.164 5.619 -12.153 1.00 0.00 C ATOM 1381 CG PRO A 86 15.654 6.834 -11.430 1.00 0.00 C ATOM 1382 CD PRO A 86 15.582 6.509 -9.968 1.00 0.00 C ATOM 0 HA PRO A 86 13.191 4.887 -11.464 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.996 4.982 -12.455 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.627 5.895 -13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.675 7.077 -11.725 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.039 7.702 -11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.496 6.033 -9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.431 7.402 -9.361 1.00 0.00 H new ATOM 1390 N GLU A 87 15.252 3.045 -9.965 1.00 0.00 N ATOM 1391 CA GLU A 87 15.686 1.668 -9.750 1.00 0.00 C ATOM 1392 C GLU A 87 14.909 1.027 -8.605 1.00 0.00 C ATOM 1393 O GLU A 87 15.314 0.000 -8.060 1.00 0.00 O ATOM 1394 CB GLU A 87 17.187 1.623 -9.460 1.00 0.00 C ATOM 1395 CG GLU A 87 17.592 2.408 -8.223 1.00 0.00 C ATOM 1396 CD GLU A 87 19.089 2.388 -7.984 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.570 1.457 -7.306 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.781 3.304 -8.477 1.00 0.00 O ATOM 0 H GLU A 87 15.468 3.679 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 87 15.486 1.102 -10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.494 0.584 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.727 2.015 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.258 3.440 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.083 1.995 -7.352 1.00 0.00 H new ATOM 1405 N PHE A 88 13.786 1.643 -8.253 1.00 0.00 N ATOM 1406 CA PHE A 88 12.940 1.153 -7.172 1.00 0.00 C ATOM 1407 C PHE A 88 12.432 -0.257 -7.456 1.00 0.00 C ATOM 1408 O PHE A 88 12.219 -0.632 -8.609 1.00 0.00 O ATOM 1409 CB PHE A 88 11.753 2.095 -6.974 1.00 0.00 C ATOM 1410 CG PHE A 88 11.008 1.868 -5.689 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.559 2.250 -4.477 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.756 1.274 -5.694 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.876 2.043 -3.294 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.068 1.064 -4.514 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.630 1.449 -3.311 1.00 0.00 C ATOM 0 H PHE A 88 13.439 2.489 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 88 13.542 1.121 -6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.110 3.125 -7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.063 1.976 -7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.534 2.715 -4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.313 0.972 -6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.317 2.346 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.093 0.600 -4.532 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.096 1.285 -2.387 1.00 0.00 H new ATOM 1425 N ASN A 89 12.246 -1.035 -6.393 1.00 0.00 N ATOM 1426 CA ASN A 89 11.750 -2.400 -6.517 1.00 0.00 C ATOM 1427 C ASN A 89 10.527 -2.605 -5.627 1.00 0.00 C ATOM 1428 O ASN A 89 10.641 -3.070 -4.494 1.00 0.00 O ATOM 1429 CB ASN A 89 12.848 -3.405 -6.156 1.00 0.00 C ATOM 1430 CG ASN A 89 13.542 -3.068 -4.850 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.506 -2.302 -4.825 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.062 -3.649 -3.756 1.00 0.00 N ATOM 0 H ASN A 89 12.432 -0.741 -5.434 1.00 0.00 H new ATOM 0 HA ASN A 89 11.457 -2.567 -7.553 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.413 -4.402 -6.085 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.586 -3.435 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.494 -3.467 -2.850 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.261 -4.277 -3.822 1.00 0.00 H new ATOM 1439 N MET A 90 9.357 -2.245 -6.146 1.00 0.00 N ATOM 1440 CA MET A 90 8.113 -2.377 -5.394 1.00 0.00 C ATOM 1441 C MET A 90 7.775 -3.843 -5.137 1.00 0.00 C ATOM 1442 O MET A 90 6.998 -4.160 -4.237 1.00 0.00 O ATOM 1443 CB MET A 90 6.966 -1.696 -6.143 1.00 0.00 C ATOM 1444 CG MET A 90 5.695 -1.567 -5.320 1.00 0.00 C ATOM 1445 SD MET A 90 5.947 -0.636 -3.796 1.00 0.00 S ATOM 1446 CE MET A 90 4.269 -0.526 -3.179 1.00 0.00 C ATOM 0 H MET A 90 9.244 -1.860 -7.084 1.00 0.00 H new ATOM 0 HA MET A 90 8.250 -1.887 -4.430 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.287 -0.703 -6.458 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.747 -2.262 -7.048 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.927 -1.076 -5.918 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.322 -2.562 -5.076 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.285 -0.221 -2.133 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.714 0.209 -3.762 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.785 -1.499 -3.266 1.00 0.00 H new ATOM 1456 N ALA A 91 8.359 -4.731 -5.932 1.00 0.00 N ATOM 1457 CA ALA A 91 8.116 -6.162 -5.784 1.00 0.00 C ATOM 1458 C ALA A 91 8.852 -6.722 -4.571 1.00 0.00 C ATOM 1459 O ALA A 91 8.239 -7.295 -3.669 1.00 0.00 O ATOM 1460 CB ALA A 91 8.536 -6.901 -7.046 1.00 0.00 C ATOM 0 H ALA A 91 9.003 -4.487 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 91 7.047 -6.310 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.349 -7.968 -6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.962 -6.528 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.598 -6.737 -7.227 1.00 0.00 H new ATOM 1466 N ALA A 92 10.170 -6.549 -4.555 1.00 0.00 N ATOM 1467 CA ALA A 92 10.995 -7.042 -3.459 1.00 0.00 C ATOM 1468 C ALA A 92 10.752 -6.252 -2.175 1.00 0.00 C ATOM 1469 O ALA A 92 10.966 -6.761 -1.076 1.00 0.00 O ATOM 1470 CB ALA A 92 12.465 -6.988 -3.843 1.00 0.00 C ATOM 0 H ALA A 92 10.690 -6.070 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 92 10.714 -8.078 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.071 -7.359 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.634 -7.608 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.745 -5.958 -4.065 1.00 0.00 H new ATOM 1476 N PHE A 93 10.305 -5.008 -2.320 1.00 0.00 N ATOM 1477 CA PHE A 93 10.043 -4.155 -1.167 1.00 0.00 C ATOM 1478 C PHE A 93 8.791 -4.610 -0.422 1.00 0.00 C ATOM 1479 O PHE A 93 8.831 -4.839 0.786 1.00 0.00 O ATOM 1480 CB PHE A 93 9.892 -2.695 -1.598 1.00 0.00 C ATOM 1481 CG PHE A 93 9.638 -1.755 -0.455 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.630 -1.487 0.474 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.404 -1.139 -0.309 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.397 -0.623 1.528 1.00 0.00 C ATOM 1485 CE2 PHE A 93 8.166 -0.275 0.742 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.164 -0.016 1.662 1.00 0.00 C ATOM 0 H PHE A 93 10.117 -4.570 -3.222 1.00 0.00 H new ATOM 0 HA PHE A 93 10.896 -4.237 -0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.797 -2.383 -2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.071 -2.618 -2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.597 -1.958 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.620 -1.337 -1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.179 -0.423 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.200 0.198 0.845 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.980 0.660 2.484 1.00 0.00 H new ATOM 1496 N THR A 94 7.683 -4.738 -1.147 1.00 0.00 N ATOM 1497 CA THR A 94 6.422 -5.167 -0.546 1.00 0.00 C ATOM 1498 C THR A 94 6.567 -6.522 0.137 1.00 0.00 C ATOM 1499 O THR A 94 6.153 -6.695 1.284 1.00 0.00 O ATOM 1500 CB THR A 94 5.294 -5.252 -1.593 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.717 -6.040 -2.710 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.886 -3.865 -2.065 1.00 0.00 C ATOM 0 H THR A 94 7.632 -4.552 -2.149 1.00 0.00 H new ATOM 0 HA THR A 94 6.160 -4.414 0.198 1.00 0.00 H new ATOM 0 HB THR A 94 4.431 -5.725 -1.125 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.266 -5.491 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.089 -3.952 -2.803 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.532 -3.281 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.745 -3.367 -2.515 1.00 0.00 H new ATOM 1510 N THR A 95 7.156 -7.482 -0.573 1.00 0.00 N ATOM 1511 CA THR A 95 7.353 -8.822 -0.029 1.00 0.00 C ATOM 1512 C THR A 95 8.130 -8.774 1.284 1.00 0.00 C ATOM 1513 O THR A 95 7.699 -9.333 2.291 1.00 0.00 O ATOM 1514 CB THR A 95 8.107 -9.726 -1.022 1.00 0.00 C ATOM 1515 OG1 THR A 95 9.346 -9.114 -1.398 1.00 0.00 O ATOM 1516 CG2 THR A 95 7.266 -9.988 -2.264 1.00 0.00 C ATOM 0 H THR A 95 7.504 -7.357 -1.524 1.00 0.00 H new ATOM 0 HA THR A 95 6.362 -9.238 0.152 1.00 0.00 H new ATOM 0 HB THR A 95 8.307 -10.679 -0.532 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.820 -9.696 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.820 -10.629 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.337 -10.481 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.038 -9.042 -2.755 1.00 0.00 H new ATOM 1524 N THR A 96 9.274 -8.098 1.260 1.00 0.00 N ATOM 1525 CA THR A 96 10.116 -7.973 2.444 1.00 0.00 C ATOM 1526 C THR A 96 9.415 -7.180 3.544 1.00 0.00 C ATOM 1527 O THR A 96 9.655 -7.400 4.731 1.00 0.00 O ATOM 1528 CB THR A 96 11.456 -7.290 2.101 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.138 -8.034 1.086 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.344 -7.178 3.332 1.00 0.00 C ATOM 0 H THR A 96 9.640 -7.628 0.432 1.00 0.00 H new ATOM 0 HA THR A 96 10.310 -8.983 2.805 1.00 0.00 H new ATOM 0 HB THR A 96 11.240 -6.286 1.737 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.837 -7.734 0.203 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.282 -6.693 3.061 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.836 -6.587 4.094 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.551 -8.174 3.723 1.00 0.00 H new ATOM 1538 N LEU A 97 8.543 -6.261 3.142 1.00 0.00 N ATOM 1539 CA LEU A 97 7.813 -5.433 4.096 1.00 0.00 C ATOM 1540 C LEU A 97 6.852 -6.280 4.923 1.00 0.00 C ATOM 1541 O LEU A 97 6.668 -6.040 6.117 1.00 0.00 O ATOM 1542 CB LEU A 97 7.041 -4.327 3.366 1.00 0.00 C ATOM 1543 CG LEU A 97 6.973 -2.981 4.097 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.253 -1.948 3.246 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.280 -3.132 5.445 1.00 0.00 C ATOM 0 H LEU A 97 8.325 -6.071 2.164 1.00 0.00 H new ATOM 0 HA LEU A 97 8.538 -4.973 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.501 -4.169 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.024 -4.675 3.186 1.00 0.00 H new ATOM 0 HG LEU A 97 7.993 -2.638 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.214 -0.999 3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.789 -1.813 2.306 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.239 -2.290 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.243 -2.164 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.266 -3.501 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.835 -3.839 6.062 1.00 0.00 H new ATOM 1557 N GLN A 98 6.244 -7.277 4.282 1.00 0.00 N ATOM 1558 CA GLN A 98 5.297 -8.157 4.959 1.00 0.00 C ATOM 1559 C GLN A 98 5.894 -8.729 6.240 1.00 0.00 C ATOM 1560 O GLN A 98 5.185 -8.936 7.226 1.00 0.00 O ATOM 1561 CB GLN A 98 4.862 -9.291 4.027 1.00 0.00 C ATOM 1562 CG GLN A 98 4.101 -8.811 2.802 1.00 0.00 C ATOM 1563 CD GLN A 98 3.584 -9.951 1.943 1.00 0.00 C ATOM 1564 OE1 GLN A 98 2.543 -9.833 1.297 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.312 -11.063 1.927 1.00 0.00 N ATOM 0 H GLN A 98 6.391 -7.494 3.296 1.00 0.00 H new ATOM 0 HA GLN A 98 4.423 -7.564 5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.744 -9.843 3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.236 -9.988 4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.261 -8.194 3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.753 -8.177 2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.169 -11.119 2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.014 -11.860 1.364 1.00 0.00 H new ATOM 1574 N HIS A 99 7.197 -8.982 6.222 1.00 0.00 N ATOM 1575 CA HIS A 99 7.880 -9.520 7.391 1.00 0.00 C ATOM 1576 C HIS A 99 8.260 -8.397 8.351 1.00 0.00 C ATOM 1577 O HIS A 99 8.103 -8.519 9.567 1.00 0.00 O ATOM 1578 CB HIS A 99 9.129 -10.295 6.969 1.00 0.00 C ATOM 1579 CG HIS A 99 8.840 -11.435 6.042 1.00 0.00 C ATOM 1580 ND1 HIS A 99 8.687 -12.737 6.473 1.00 0.00 N ATOM 1581 CD2 HIS A 99 8.677 -11.464 4.698 1.00 0.00 C ATOM 1582 CE1 HIS A 99 8.443 -13.517 5.434 1.00 0.00 C ATOM 1583 NE2 HIS A 99 8.432 -12.768 4.346 1.00 0.00 N ATOM 0 H HIS A 99 7.799 -8.824 5.414 1.00 0.00 H new ATOM 0 HA HIS A 99 7.200 -10.202 7.902 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.825 -9.610 6.484 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.627 -10.679 7.859 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.730 -10.619 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.280 -14.584 5.469 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.268 -13.104 3.397 1.00 0.00 H new ATOM 1592 N HIS A 100 8.737 -7.288 7.791 1.00 0.00 N ATOM 1593 CA HIS A 100 9.142 -6.142 8.597 1.00 0.00 C ATOM 1594 C HIS A 100 7.930 -5.461 9.216 1.00 0.00 C ATOM 1595 O HIS A 100 8.065 -4.494 9.965 1.00 0.00 O ATOM 1596 CB HIS A 100 9.935 -5.143 7.754 1.00 0.00 C ATOM 1597 CG HIS A 100 11.370 -5.528 7.569 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.403 -4.933 8.261 1.00 0.00 N ATOM 1599 CD2 HIS A 100 11.942 -6.455 6.765 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.549 -5.476 7.890 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.296 -6.402 6.984 1.00 0.00 N ATOM 0 H HIS A 100 8.852 -7.160 6.786 1.00 0.00 H new ATOM 0 HA HIS A 100 9.782 -6.505 9.401 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.463 -5.049 6.776 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.888 -4.162 8.227 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.429 -7.113 6.079 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.526 -5.208 8.264 1.00 0.00 H new ATOM 0 HE2 HIS A 100 13.994 -6.984 6.521 1.00 0.00 H new ATOM 1610 N LYS A 101 6.746 -5.968 8.894 1.00 0.00 N ATOM 1611 CA LYS A 101 5.510 -5.419 9.429 1.00 0.00 C ATOM 1612 C LYS A 101 5.503 -5.530 10.948 1.00 0.00 C ATOM 1613 O LYS A 101 4.801 -4.787 11.634 1.00 0.00 O ATOM 1614 CB LYS A 101 4.303 -6.152 8.840 1.00 0.00 C ATOM 1615 CG LYS A 101 2.964 -5.561 9.254 1.00 0.00 C ATOM 1616 CD LYS A 101 1.802 -6.309 8.620 1.00 0.00 C ATOM 1617 CE LYS A 101 1.666 -7.714 9.185 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.481 -7.701 10.662 1.00 0.00 N ATOM 0 H LYS A 101 6.618 -6.760 8.264 1.00 0.00 H new ATOM 0 HA LYS A 101 5.446 -4.367 9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.376 -6.137 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.339 -7.197 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.871 -5.595 10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.924 -4.511 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.877 -5.757 8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.948 -6.363 7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.818 -8.213 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.555 -8.294 8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.078 -8.609 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.400 -7.555 11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.835 -6.929 10.924 1.00 0.00 H new ATOM 1632 N ASP A 102 6.298 -6.464 11.466 1.00 0.00 N ATOM 1633 CA ASP A 102 6.397 -6.672 12.905 1.00 0.00 C ATOM 1634 C ASP A 102 7.163 -5.526 13.557 1.00 0.00 C ATOM 1635 O ASP A 102 6.952 -5.211 14.729 1.00 0.00 O ATOM 1636 CB ASP A 102 7.088 -8.003 13.203 1.00 0.00 C ATOM 1637 CG ASP A 102 7.240 -8.257 14.689 1.00 0.00 C ATOM 1638 OD1 ASP A 102 6.286 -8.777 15.304 1.00 0.00 O ATOM 1639 OD2 ASP A 102 8.315 -7.935 15.240 1.00 0.00 O ATOM 0 H ASP A 102 6.882 -7.088 10.909 1.00 0.00 H new ATOM 0 HA ASP A 102 5.389 -6.699 13.320 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.514 -8.815 12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.072 -8.011 12.734 1.00 0.00 H new ATOM 1644 N GLU A 103 8.053 -4.906 12.787 1.00 0.00 N ATOM 1645 CA GLU A 103 8.853 -3.793 13.282 1.00 0.00 C ATOM 1646 C GLU A 103 8.187 -2.459 12.954 1.00 0.00 C ATOM 1647 O GLU A 103 7.789 -1.717 13.854 1.00 0.00 O ATOM 1648 CB GLU A 103 10.256 -3.839 12.671 1.00 0.00 C ATOM 1649 CG GLU A 103 11.181 -2.746 13.182 1.00 0.00 C ATOM 1650 CD GLU A 103 11.405 -2.824 14.679 1.00 0.00 C ATOM 1651 OE1 GLU A 103 10.612 -2.218 15.430 1.00 0.00 O ATOM 1652 OE2 GLU A 103 12.372 -3.493 15.101 1.00 0.00 O ATOM 0 H GLU A 103 8.238 -5.157 11.816 1.00 0.00 H new ATOM 0 HA GLU A 103 8.931 -3.884 14.365 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.703 -4.810 12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.174 -3.756 11.587 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.141 -2.819 12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.760 -1.772 12.932 1.00 0.00 H new ATOM 1659 N VAL A 104 8.068 -2.163 11.663 1.00 0.00 N ATOM 1660 CA VAL A 104 7.450 -0.919 11.215 1.00 0.00 C ATOM 1661 C VAL A 104 6.010 -0.822 11.709 1.00 0.00 C ATOM 1662 O VAL A 104 5.414 -1.824 12.106 1.00 0.00 O ATOM 1663 CB VAL A 104 7.474 -0.806 9.675 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.457 -1.748 9.044 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.227 0.629 9.234 1.00 0.00 C ATOM 0 H VAL A 104 8.392 -2.768 10.908 1.00 0.00 H new ATOM 0 HA VAL A 104 8.030 -0.097 11.636 1.00 0.00 H new ATOM 0 HB VAL A 104 8.465 -1.101 9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.494 -1.649 7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.691 -2.775 9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.458 -1.494 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.248 0.684 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.252 0.958 9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.003 1.275 9.645 1.00 0.00 H new ATOM 1675 N ALA A 105 5.459 0.389 11.687 1.00 0.00 N ATOM 1676 CA ALA A 105 4.087 0.611 12.129 1.00 0.00 C ATOM 1677 C ALA A 105 3.121 -0.310 11.393 1.00 0.00 C ATOM 1678 O ALA A 105 2.846 -0.120 10.208 1.00 0.00 O ATOM 1679 CB ALA A 105 3.696 2.066 11.917 1.00 0.00 C ATOM 0 H ALA A 105 5.941 1.229 11.368 1.00 0.00 H new ATOM 0 HA ALA A 105 4.030 0.381 13.193 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.670 2.219 12.251 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.364 2.709 12.490 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.774 2.313 10.858 1.00 0.00 H new ATOM 1685 N GLY A 106 2.610 -1.311 12.104 1.00 0.00 N ATOM 1686 CA GLY A 106 1.683 -2.253 11.504 1.00 0.00 C ATOM 1687 C GLY A 106 0.351 -1.617 11.158 1.00 0.00 C ATOM 1688 O GLY A 106 -0.307 -2.024 10.202 1.00 0.00 O ATOM 0 H GLY A 106 2.822 -1.486 13.086 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.128 -2.670 10.601 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.518 -3.083 12.191 1.00 0.00 H new ATOM 1692 N ASP A 107 -0.043 -0.618 11.939 1.00 0.00 N ATOM 1693 CA ASP A 107 -1.305 0.078 11.716 1.00 0.00 C ATOM 1694 C ASP A 107 -1.300 0.814 10.380 1.00 0.00 C ATOM 1695 O ASP A 107 -2.300 0.819 9.661 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.574 1.069 12.850 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.664 0.391 14.202 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -0.617 0.253 14.868 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.782 -0.003 14.595 1.00 0.00 O ATOM 0 H ASP A 107 0.494 -0.271 12.734 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.098 -0.670 11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.779 1.815 12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.504 1.601 12.651 1.00 0.00 H new ATOM 1704 N ILE A 108 -0.169 1.431 10.052 1.00 0.00 N ATOM 1705 CA ILE A 108 -0.045 2.176 8.804 1.00 0.00 C ATOM 1706 C ILE A 108 0.026 1.240 7.603 1.00 0.00 C ATOM 1707 O ILE A 108 -0.701 1.419 6.624 1.00 0.00 O ATOM 1708 CB ILE A 108 1.204 3.081 8.808 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.124 4.090 9.958 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.339 3.800 7.471 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.383 4.916 10.132 1.00 0.00 C ATOM 0 H ILE A 108 0.671 1.430 10.630 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.937 2.798 8.723 1.00 0.00 H new ATOM 0 HB ILE A 108 2.088 2.460 8.956 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.282 4.760 9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.920 3.555 10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.225 4.435 7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.434 3.066 6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.455 4.414 7.297 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.252 5.608 10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.226 4.256 10.338 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.578 5.479 9.219 1.00 0.00 H new ATOM 1723 N PHE A 109 0.899 0.239 7.677 1.00 0.00 N ATOM 1724 CA PHE A 109 1.050 -0.711 6.583 1.00 0.00 C ATOM 1725 C PHE A 109 -0.225 -1.521 6.383 1.00 0.00 C ATOM 1726 O PHE A 109 -0.515 -1.959 5.274 1.00 0.00 O ATOM 1727 CB PHE A 109 2.236 -1.650 6.813 1.00 0.00 C ATOM 1728 CG PHE A 109 2.438 -2.630 5.689 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.561 -2.188 4.379 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.493 -3.991 5.939 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.735 -3.085 3.341 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.668 -4.893 4.906 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.789 -4.439 3.606 1.00 0.00 C ATOM 0 H PHE A 109 1.508 0.067 8.477 1.00 0.00 H new ATOM 0 HA PHE A 109 1.244 -0.133 5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.142 -1.057 6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.083 -2.198 7.742 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.520 -1.130 4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.398 -4.352 6.952 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.828 -2.728 2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.710 -5.952 5.115 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.926 -5.143 2.798 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.981 -1.717 7.463 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.223 -2.484 7.402 1.00 0.00 C ATOM 1745 C ASP A 110 -3.092 -2.020 6.238 1.00 0.00 C ATOM 1746 O ASP A 110 -3.837 -2.807 5.655 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.997 -2.351 8.713 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.307 -3.114 8.689 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -5.328 -2.525 8.275 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.313 -4.299 9.082 1.00 0.00 O ATOM 0 H ASP A 110 -0.755 -1.355 8.389 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.964 -3.531 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.381 -2.717 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.196 -1.297 8.909 1.00 0.00 H new ATOM 1755 N MET A 111 -2.995 -0.736 5.905 1.00 0.00 N ATOM 1756 CA MET A 111 -3.759 -0.178 4.798 1.00 0.00 C ATOM 1757 C MET A 111 -3.184 -0.668 3.472 1.00 0.00 C ATOM 1758 O MET A 111 -3.910 -1.156 2.605 1.00 0.00 O ATOM 1759 CB MET A 111 -3.739 1.352 4.859 1.00 0.00 C ATOM 1760 CG MET A 111 -4.458 2.027 3.700 1.00 0.00 C ATOM 1761 SD MET A 111 -3.399 2.256 2.257 1.00 0.00 S ATOM 1762 CE MET A 111 -2.190 3.410 2.904 1.00 0.00 C ATOM 0 H MET A 111 -2.396 -0.065 6.386 1.00 0.00 H new ATOM 0 HA MET A 111 -4.794 -0.512 4.876 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.197 1.674 5.794 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.703 1.691 4.878 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.324 1.428 3.418 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.833 2.997 4.027 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.620 3.840 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.701 4.206 3.446 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.513 2.887 3.580 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.867 -0.544 3.336 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.169 -0.976 2.131 1.00 0.00 C ATOM 1774 C LEU A 112 -1.246 -2.492 1.987 1.00 0.00 C ATOM 1775 O LEU A 112 -1.132 -3.030 0.888 1.00 0.00 O ATOM 1776 CB LEU A 112 0.294 -0.533 2.184 1.00 0.00 C ATOM 1777 CG LEU A 112 0.518 0.981 2.208 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.986 1.296 2.447 1.00 0.00 C ATOM 1779 CD2 LEU A 112 0.042 1.612 0.909 1.00 0.00 C ATOM 0 H LEU A 112 -1.259 -0.145 4.051 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.650 -0.516 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.756 -0.966 3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.813 -0.947 1.320 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.064 1.403 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.129 2.377 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.297 0.876 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.586 0.861 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.209 2.688 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.597 1.186 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.022 1.414 0.777 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.451 -3.168 3.111 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.536 -4.624 3.143 1.00 0.00 C ATOM 1793 C LEU A 113 -2.529 -5.140 2.109 1.00 0.00 C ATOM 1794 O LEU A 113 -2.406 -6.266 1.624 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.939 -5.093 4.544 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.975 -6.610 4.746 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.610 -7.224 4.469 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.431 -6.947 6.157 1.00 0.00 C ATOM 0 H LEU A 113 -1.563 -2.725 4.023 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.554 -5.029 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.244 -4.664 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.925 -4.690 4.773 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.689 -7.031 4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.659 -8.303 4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.318 -7.013 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.126 -6.796 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.451 -8.029 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.739 -6.510 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.430 -6.544 6.323 1.00 0.00 H new ATOM 1810 N THR A 114 -3.515 -4.312 1.778 1.00 0.00 N ATOM 1811 CA THR A 114 -4.536 -4.678 0.801 1.00 0.00 C ATOM 1812 C THR A 114 -3.936 -4.964 -0.579 1.00 0.00 C ATOM 1813 O THR A 114 -4.666 -5.230 -1.533 1.00 0.00 O ATOM 1814 CB THR A 114 -5.595 -3.570 0.663 1.00 0.00 C ATOM 1815 OG1 THR A 114 -4.984 -2.364 0.189 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.280 -3.307 1.997 1.00 0.00 C ATOM 0 H THR A 114 -3.629 -3.379 2.174 1.00 0.00 H new ATOM 0 HA THR A 114 -5.004 -5.589 1.174 1.00 0.00 H new ATOM 0 HB THR A 114 -6.346 -3.903 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.603 -1.871 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.024 -2.520 1.875 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.769 -4.219 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.538 -2.994 2.731 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.607 -4.912 -0.682 1.00 0.00 N ATOM 1825 CA PHE A 115 -1.930 -5.173 -1.950 1.00 0.00 C ATOM 1826 C PHE A 115 -2.149 -6.615 -2.398 1.00 0.00 C ATOM 1827 O PHE A 115 -2.188 -6.900 -3.596 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.425 -4.896 -1.832 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.050 -3.439 -1.908 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.693 -2.584 -2.790 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.954 -2.926 -1.098 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.345 -1.250 -2.863 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.306 -1.591 -1.168 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.656 -0.752 -2.052 1.00 0.00 C ATOM 0 H PHE A 115 -1.982 -4.693 0.094 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.358 -4.502 -2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.067 -5.301 -0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.094 -5.434 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.476 -2.966 -3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.466 -3.577 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.855 -0.596 -3.554 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.089 -1.204 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.930 0.291 -2.109 1.00 0.00 H new ATOM 1844 N THR A 116 -2.292 -7.522 -1.435 1.00 0.00 N ATOM 1845 CA THR A 116 -2.500 -8.932 -1.746 1.00 0.00 C ATOM 1846 C THR A 116 -3.427 -9.600 -0.735 1.00 0.00 C ATOM 1847 O THR A 116 -4.079 -10.598 -1.046 1.00 0.00 O ATOM 1848 CB THR A 116 -1.166 -9.701 -1.782 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.406 -11.083 -2.072 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.433 -9.575 -0.454 1.00 0.00 C ATOM 0 H THR A 116 -2.268 -7.307 -0.438 1.00 0.00 H new ATOM 0 HA THR A 116 -2.964 -8.966 -2.732 1.00 0.00 H new ATOM 0 HB THR A 116 -0.543 -9.269 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.553 -11.565 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.506 -10.126 -0.503 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.227 -8.524 -0.250 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.053 -9.984 0.344 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.483 -9.049 0.473 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.329 -9.605 1.523 1.00 0.00 C ATOM 1860 C ASP A 117 -5.798 -9.265 1.278 1.00 0.00 C ATOM 1861 O ASP A 117 -6.284 -8.212 1.696 1.00 0.00 O ATOM 1862 CB ASP A 117 -3.888 -9.087 2.895 1.00 0.00 C ATOM 1863 CG ASP A 117 -4.466 -9.902 4.035 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -5.568 -9.562 4.512 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.815 -10.882 4.453 1.00 0.00 O ATOM 0 H ASP A 117 -2.955 -8.221 0.749 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.221 -10.690 1.505 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.800 -9.105 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.196 -8.047 3.003 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.498 -10.168 0.596 1.00 0.00 N ATOM 1871 CA PHE A 118 -7.910 -9.973 0.283 1.00 0.00 C ATOM 1872 C PHE A 118 -8.731 -9.794 1.555 1.00 0.00 C ATOM 1873 O PHE A 118 -9.631 -8.955 1.612 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.439 -11.166 -0.518 1.00 0.00 C ATOM 1875 CG PHE A 118 -9.868 -11.013 -0.960 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.173 -10.384 -2.158 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -10.906 -11.499 -0.180 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.485 -10.244 -2.568 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.220 -11.362 -0.586 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.509 -10.733 -1.781 1.00 0.00 C ATOM 0 H PHE A 118 -6.108 -11.044 0.249 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.005 -9.067 -0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.810 -11.310 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.350 -12.067 0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.376 -9.999 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.685 -11.990 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.710 -9.753 -3.503 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.019 -11.746 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.535 -10.624 -2.100 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.415 -10.589 2.571 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.121 -10.527 3.845 1.00 0.00 C ATOM 1892 C LEU A 119 -9.101 -9.113 4.418 1.00 0.00 C ATOM 1893 O LEU A 119 -10.074 -8.669 5.027 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.492 -11.501 4.846 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.190 -11.577 6.205 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.601 -12.126 6.051 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.384 -12.435 7.170 1.00 0.00 C ATOM 0 H LEU A 119 -7.672 -11.286 2.536 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.158 -10.811 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.483 -12.497 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.453 -11.214 5.005 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.258 -10.569 6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.082 -12.173 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.176 -11.473 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.557 -13.126 5.620 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.895 -12.478 8.132 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.285 -13.442 6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.394 -11.999 7.304 1.00 0.00 H new ATOM 1909 N ALA A 120 -7.991 -8.411 4.218 1.00 0.00 N ATOM 1910 CA ALA A 120 -7.846 -7.050 4.723 1.00 0.00 C ATOM 1911 C ALA A 120 -8.623 -6.054 3.870 1.00 0.00 C ATOM 1912 O ALA A 120 -9.138 -5.060 4.377 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.377 -6.661 4.781 1.00 0.00 C ATOM 0 H ALA A 120 -7.179 -8.761 3.710 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.260 -7.023 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.285 -5.643 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.846 -7.344 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -5.946 -6.717 3.781 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.699 -6.329 2.574 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.408 -5.456 1.644 1.00 0.00 C ATOM 1921 C PHE A 121 -10.899 -5.398 1.978 1.00 0.00 C ATOM 1922 O PHE A 121 -11.463 -4.319 2.185 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.206 -5.966 0.213 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.487 -4.948 -0.858 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.893 -3.696 -0.821 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.337 -5.252 -1.909 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.143 -2.766 -1.812 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.591 -4.326 -2.903 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.993 -3.082 -2.855 1.00 0.00 C ATOM 0 H PHE A 121 -8.278 -7.151 2.141 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.004 -4.447 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.178 -6.313 0.106 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.852 -6.830 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.227 -3.445 -0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.806 -6.224 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.675 -1.794 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.256 -4.575 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.189 -2.357 -3.631 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.528 -6.568 2.048 1.00 0.00 N ATOM 1940 CA LYS A 122 -12.952 -6.654 2.353 1.00 0.00 C ATOM 1941 C LYS A 122 -13.243 -6.144 3.758 1.00 0.00 C ATOM 1942 O LYS A 122 -14.119 -5.301 3.953 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.441 -8.097 2.213 1.00 0.00 C ATOM 1944 CG LYS A 122 -14.944 -8.248 2.387 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.372 -9.705 2.320 1.00 0.00 C ATOM 1946 CE LYS A 122 -16.879 -9.849 2.462 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.379 -9.248 3.730 1.00 0.00 N ATOM 0 H LYS A 122 -11.074 -7.469 1.898 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.485 -6.025 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.157 -8.475 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.934 -8.717 2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.244 -7.824 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.459 -7.681 1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.052 -10.136 1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.875 -10.268 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.371 -9.370 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.147 -10.905 2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.092 -9.875 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.587 -9.126 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.808 -8.322 3.530 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.505 -6.663 4.735 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.686 -6.264 6.126 1.00 0.00 C ATOM 1963 C GLU A 123 -12.525 -4.756 6.287 1.00 0.00 C ATOM 1964 O GLU A 123 -13.174 -4.140 7.133 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.684 -6.995 7.022 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.819 -6.651 8.496 1.00 0.00 C ATOM 1967 CD GLU A 123 -10.753 -7.313 9.348 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -9.641 -6.753 9.447 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -11.030 -8.391 9.913 1.00 0.00 O ATOM 0 H GLU A 123 -11.776 -7.361 4.588 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.698 -6.536 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.813 -8.070 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.673 -6.755 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.759 -5.570 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.804 -6.958 8.849 1.00 0.00 H new ATOM 1976 N MET A 124 -11.657 -4.165 5.471 1.00 0.00 N ATOM 1977 CA MET A 124 -11.415 -2.729 5.531 1.00 0.00 C ATOM 1978 C MET A 124 -12.676 -1.948 5.181 1.00 0.00 C ATOM 1979 O MET A 124 -13.048 -1.009 5.886 1.00 0.00 O ATOM 1980 CB MET A 124 -10.283 -2.335 4.581 1.00 0.00 C ATOM 1981 CG MET A 124 -9.949 -0.852 4.617 1.00 0.00 C ATOM 1982 SD MET A 124 -8.634 -0.407 3.468 1.00 0.00 S ATOM 1983 CE MET A 124 -9.391 -0.839 1.904 1.00 0.00 C ATOM 0 H MET A 124 -11.112 -4.657 4.763 1.00 0.00 H new ATOM 0 HA MET A 124 -11.125 -2.483 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.390 -2.907 4.835 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.560 -2.612 3.564 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.844 -0.276 4.379 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.651 -0.575 5.628 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.881 -0.315 1.096 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.311 -1.915 1.746 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.442 -0.551 1.917 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.330 -2.335 4.089 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.551 -1.660 3.659 1.00 0.00 C ATOM 1995 C PHE A 125 -15.657 -1.804 4.700 1.00 0.00 C ATOM 1996 O PHE A 125 -16.325 -0.830 5.046 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.029 -2.214 2.316 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.090 -1.931 1.179 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.695 -0.634 0.893 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.603 -2.963 0.395 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.833 -0.373 -0.154 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.741 -2.709 -0.652 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.354 -1.412 -0.927 1.00 0.00 C ATOM 0 H PHE A 125 -13.038 -3.107 3.490 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.319 -0.601 3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.164 -3.292 2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.005 -1.789 2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.065 0.182 1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.902 -3.979 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.534 0.643 -0.368 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.369 -3.524 -1.256 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.678 -1.211 -1.745 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.847 -3.024 5.196 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.874 -3.291 6.197 1.00 0.00 C ATOM 2015 C LEU A 126 -16.611 -2.504 7.477 1.00 0.00 C ATOM 2016 O LEU A 126 -17.542 -2.149 8.200 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.944 -4.790 6.507 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.797 -5.617 5.541 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.204 -5.594 4.140 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.928 -7.048 6.044 1.00 0.00 C ATOM 0 H LEU A 126 -15.303 -3.842 4.921 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.832 -2.969 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.931 -5.192 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.338 -4.918 7.515 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.791 -5.173 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.827 -6.188 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.162 -4.566 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.197 -6.011 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.537 -7.624 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.939 -7.499 6.120 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.402 -7.047 7.025 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.338 -2.234 7.753 1.00 0.00 N ATOM 2033 CA ASP A 127 -14.958 -1.485 8.946 1.00 0.00 C ATOM 2034 C ASP A 127 -15.368 -0.022 8.817 1.00 0.00 C ATOM 2035 O ASP A 127 -16.045 0.523 9.689 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.449 -1.585 9.180 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.009 -0.861 10.437 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -12.686 0.343 10.347 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -12.987 -1.496 11.511 1.00 0.00 O ATOM 0 H ASP A 127 -14.554 -2.522 7.168 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.478 -1.919 9.800 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.164 -2.635 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -12.923 -1.168 8.321 1.00 0.00 H new ATOM 2044 N TYR A 128 -14.954 0.606 7.721 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.276 2.007 7.470 1.00 0.00 C ATOM 2046 C TYR A 128 -16.786 2.216 7.410 1.00 0.00 C ATOM 2047 O TYR A 128 -17.303 3.225 7.892 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.630 2.470 6.161 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.960 3.898 5.783 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.280 4.965 6.359 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.949 4.179 4.847 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.577 6.269 6.015 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.250 5.482 4.498 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.562 6.522 5.085 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.859 7.821 4.737 1.00 0.00 O ATOM 0 H TYR A 128 -14.394 0.166 6.991 1.00 0.00 H new ATOM 0 HA TYR A 128 -14.880 2.601 8.294 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.548 2.368 6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -14.950 1.809 5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.507 4.771 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.490 3.366 4.385 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.040 7.087 6.473 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.021 5.684 3.769 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.576 7.825 4.069 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.489 1.254 6.820 1.00 0.00 N ATOM 2066 CA ARG A 129 -18.939 1.331 6.691 1.00 0.00 C ATOM 2067 C ARG A 129 -19.615 1.265 8.057 1.00 0.00 C ATOM 2068 O ARG A 129 -20.611 1.947 8.301 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.453 0.198 5.800 1.00 0.00 C ATOM 2070 CG ARG A 129 -20.953 0.244 5.556 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.392 -0.838 4.583 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.827 -0.784 4.313 1.00 0.00 N ATOM 2073 CZ ARG A 129 -23.392 -1.296 3.224 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -22.647 -1.890 2.301 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -24.707 -1.215 3.055 1.00 0.00 N ATOM 0 H ARG A 129 -17.076 0.410 6.423 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.186 2.288 6.231 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -18.937 0.239 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.198 -0.757 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.481 0.120 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.229 1.222 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -20.843 -0.728 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.137 -1.816 4.990 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.429 -0.328 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -21.637 -1.955 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.084 -2.282 1.467 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.285 -0.759 3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.139 -1.608 2.219 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.068 0.440 8.944 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.618 0.287 10.286 1.00 0.00 C ATOM 2091 C ALA A 130 -19.416 1.554 11.107 1.00 0.00 C ATOM 2092 O ALA A 130 -20.198 1.851 12.011 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.982 -0.904 10.986 1.00 0.00 C ATOM 0 H ALA A 130 -18.245 -0.133 8.758 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.690 0.110 10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.403 -1.005 11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.182 -1.811 10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.905 -0.751 11.059 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.361 2.296 10.787 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.052 3.534 11.493 1.00 0.00 C ATOM 2101 C GLU A 131 -19.015 4.649 11.090 1.00 0.00 C ATOM 2102 O GLU A 131 -19.145 5.651 11.793 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.613 3.964 11.208 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.567 3.011 11.764 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.594 2.934 13.278 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -16.346 2.095 13.817 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -14.861 3.712 13.925 1.00 0.00 O ATOM 0 H GLU A 131 -17.705 2.061 10.042 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.165 3.348 12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.476 4.050 10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.449 4.955 11.631 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.731 2.016 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -14.578 3.333 11.438 1.00 0.00 H new