USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -1.1 K(o=-1.6,f=-0.24) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.487 K(o=-1.6,f=-0.85) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 114 THR OG1 : rot -84:sc= 0.702 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.72) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0.072) USER MOD Single : A 45 MET CE :methyl 141:sc= -0.275 (180deg=-0.99) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 0.31 (180deg=-0.037) USER MOD Single : A 48 TYR OH : rot -14:sc= 0.254 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 103:sc= 0.154 USER MOD Single : A 58 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.27) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -1.15 K(o=-1.1,f=-0.3) USER MOD Single : A 71 SER OG : rot 85:sc= 1.02 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0281 (180deg=-0.275) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -6.21! K(o=-6.2!,f=-0.12) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -25:sc= 0.78 USER MOD Single : A 95 THR OG1 : rot 71:sc= 0.143 USER MOD Single : A 96 THR OG1 : rot 79:sc= 0.0157 USER MOD Single : A 98 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 99 HIS : no HD1:sc=-0.00831 X(o=-0.0083,f=0) USER MOD Single : A 100 HIS : no HE2:sc= -0.537 X(o=-0.54,f=-0.31) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= -0.115 (180deg=-0.465) USER MOD Single : A 111 MET CE :methyl 143:sc= -0.228 (180deg=-1.35) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 162:sc= -0.0997 (180deg=-0.576) USER MOD Single : A 128 TYR OH : rot 180:sc= -0.241 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.229 1.936 5.787 1.00 0.00 N ATOM 243 CA ALA A 19 19.113 3.339 5.399 1.00 0.00 C ATOM 244 C ALA A 19 18.039 3.553 4.335 1.00 0.00 C ATOM 245 O ALA A 19 17.106 4.332 4.534 1.00 0.00 O ATOM 246 CB ALA A 19 20.453 3.859 4.904 1.00 0.00 C ATOM 0 HA ALA A 19 18.812 3.899 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 19 20.354 4.906 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.194 3.769 5.698 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.773 3.276 4.041 1.00 0.00 H new ATOM 252 N GLU A 20 18.172 2.861 3.207 1.00 0.00 N ATOM 253 CA GLU A 20 17.210 2.992 2.116 1.00 0.00 C ATOM 254 C GLU A 20 15.810 2.592 2.566 1.00 0.00 C ATOM 255 O GLU A 20 14.827 3.245 2.214 1.00 0.00 O ATOM 256 CB GLU A 20 17.636 2.140 0.918 1.00 0.00 C ATOM 257 CG GLU A 20 16.739 2.309 -0.298 1.00 0.00 C ATOM 258 CD GLU A 20 16.669 3.746 -0.776 1.00 0.00 C ATOM 259 OE1 GLU A 20 17.614 4.191 -1.460 1.00 0.00 O ATOM 260 OE2 GLU A 20 15.668 4.425 -0.467 1.00 0.00 O ATOM 0 H GLU A 20 18.933 2.207 3.024 1.00 0.00 H new ATOM 0 HA GLU A 20 17.189 4.040 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.659 2.399 0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.641 1.091 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.108 1.678 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.735 1.961 -0.055 1.00 0.00 H new ATOM 267 N PHE A 21 15.724 1.520 3.348 1.00 0.00 N ATOM 268 CA PHE A 21 14.439 1.038 3.841 1.00 0.00 C ATOM 269 C PHE A 21 13.728 2.114 4.655 1.00 0.00 C ATOM 270 O PHE A 21 12.578 2.456 4.376 1.00 0.00 O ATOM 271 CB PHE A 21 14.630 -0.220 4.691 1.00 0.00 C ATOM 272 CG PHE A 21 13.339 -0.813 5.175 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.571 -1.610 4.341 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.892 -0.572 6.464 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.381 -2.155 4.784 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.704 -1.115 6.913 1.00 0.00 C ATOM 277 CZ PHE A 21 10.947 -1.907 6.072 1.00 0.00 C ATOM 0 H PHE A 21 16.527 0.970 3.653 1.00 0.00 H new ATOM 0 HA PHE A 21 13.819 0.792 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.168 -0.966 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.255 0.022 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.906 -1.807 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.479 0.048 7.125 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.791 -2.774 4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.367 -0.920 7.921 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.017 -2.332 6.421 1.00 0.00 H new ATOM 287 N ASP A 22 14.419 2.643 5.661 1.00 0.00 N ATOM 288 CA ASP A 22 13.853 3.682 6.514 1.00 0.00 C ATOM 289 C ASP A 22 13.428 4.890 5.688 1.00 0.00 C ATOM 290 O ASP A 22 12.410 5.524 5.974 1.00 0.00 O ATOM 291 CB ASP A 22 14.865 4.107 7.579 1.00 0.00 C ATOM 292 CG ASP A 22 14.314 5.170 8.508 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.713 4.803 9.540 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.482 6.370 8.203 1.00 0.00 O ATOM 0 H ASP A 22 15.371 2.369 5.905 1.00 0.00 H new ATOM 0 HA ASP A 22 12.971 3.272 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.161 3.236 8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.764 4.485 7.092 1.00 0.00 H new ATOM 299 N ALA A 23 14.214 5.204 4.664 1.00 0.00 N ATOM 300 CA ALA A 23 13.916 6.334 3.794 1.00 0.00 C ATOM 301 C ALA A 23 12.566 6.147 3.112 1.00 0.00 C ATOM 302 O ALA A 23 11.740 7.060 3.090 1.00 0.00 O ATOM 303 CB ALA A 23 15.017 6.510 2.759 1.00 0.00 C ATOM 0 H ALA A 23 15.061 4.692 4.417 1.00 0.00 H new ATOM 0 HA ALA A 23 13.867 7.235 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 23 14.780 7.358 2.116 1.00 0.00 H new ATOM 0 HB2 ALA A 23 15.966 6.691 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.095 5.607 2.154 1.00 0.00 H new ATOM 309 N VAL A 24 12.348 4.956 2.560 1.00 0.00 N ATOM 310 CA VAL A 24 11.095 4.643 1.883 1.00 0.00 C ATOM 311 C VAL A 24 9.907 4.841 2.816 1.00 0.00 C ATOM 312 O VAL A 24 8.870 5.364 2.411 1.00 0.00 O ATOM 313 CB VAL A 24 11.087 3.196 1.352 1.00 0.00 C ATOM 314 CG1 VAL A 24 9.750 2.869 0.702 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.228 2.982 0.370 1.00 0.00 C ATOM 0 H VAL A 24 13.024 4.192 2.569 1.00 0.00 H new ATOM 0 HA VAL A 24 11.009 5.328 1.039 1.00 0.00 H new ATOM 0 HB VAL A 24 11.229 2.521 2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.766 1.843 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.952 2.979 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.574 3.550 -0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.207 1.955 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.118 3.668 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.178 3.170 0.870 1.00 0.00 H new ATOM 325 N VAL A 25 10.065 4.417 4.067 1.00 0.00 N ATOM 326 CA VAL A 25 9.004 4.553 5.060 1.00 0.00 C ATOM 327 C VAL A 25 8.573 6.008 5.197 1.00 0.00 C ATOM 328 O VAL A 25 7.379 6.310 5.219 1.00 0.00 O ATOM 329 CB VAL A 25 9.448 4.023 6.438 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.337 4.193 7.464 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.870 2.565 6.338 1.00 0.00 C ATOM 0 H VAL A 25 10.916 3.977 4.417 1.00 0.00 H new ATOM 0 HA VAL A 25 8.161 3.957 4.711 1.00 0.00 H new ATOM 0 HB VAL A 25 10.307 4.606 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.672 3.813 8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.087 5.250 7.558 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.456 3.639 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.180 2.208 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.031 1.967 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.702 2.474 5.639 1.00 0.00 H new ATOM 341 N GLY A 26 9.550 6.904 5.287 1.00 0.00 N ATOM 342 CA GLY A 26 9.249 8.318 5.416 1.00 0.00 C ATOM 343 C GLY A 26 8.434 8.842 4.250 1.00 0.00 C ATOM 344 O GLY A 26 7.444 9.549 4.444 1.00 0.00 O ATOM 0 H GLY A 26 10.544 6.677 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.702 8.488 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.180 8.880 5.487 1.00 0.00 H new ATOM 348 N TYR A 27 8.848 8.490 3.036 1.00 0.00 N ATOM 349 CA TYR A 27 8.148 8.927 1.835 1.00 0.00 C ATOM 350 C TYR A 27 6.709 8.423 1.836 1.00 0.00 C ATOM 351 O TYR A 27 5.789 9.143 1.451 1.00 0.00 O ATOM 352 CB TYR A 27 8.872 8.435 0.580 1.00 0.00 C ATOM 353 CG TYR A 27 10.313 8.888 0.488 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.656 10.222 0.665 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.329 7.980 0.218 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.971 10.639 0.578 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.646 8.388 0.129 1.00 0.00 C ATOM 358 CZ TYR A 27 12.961 9.719 0.310 1.00 0.00 C ATOM 359 OH TYR A 27 14.271 10.130 0.221 1.00 0.00 O ATOM 0 H TYR A 27 9.664 7.904 2.859 1.00 0.00 H new ATOM 0 HA TYR A 27 8.137 10.017 1.830 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.841 7.346 0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.334 8.787 -0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.882 10.946 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.085 6.938 0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.221 11.680 0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.424 7.669 -0.081 1.00 0.00 H new ATOM 0 HH TYR A 27 14.844 9.358 0.028 1.00 0.00 H new ATOM 369 N LEU A 28 6.524 7.179 2.273 1.00 0.00 N ATOM 370 CA LEU A 28 5.195 6.579 2.328 1.00 0.00 C ATOM 371 C LEU A 28 4.271 7.398 3.221 1.00 0.00 C ATOM 372 O LEU A 28 3.110 7.624 2.885 1.00 0.00 O ATOM 373 CB LEU A 28 5.279 5.138 2.844 1.00 0.00 C ATOM 374 CG LEU A 28 5.975 4.147 1.908 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.130 2.795 2.586 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.198 4.004 0.608 1.00 0.00 C ATOM 0 H LEU A 28 7.276 6.569 2.593 1.00 0.00 H new ATOM 0 HA LEU A 28 4.785 6.569 1.318 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.805 5.142 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.268 4.780 3.039 1.00 0.00 H new ATOM 0 HG LEU A 28 6.967 4.533 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.627 2.102 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.728 2.908 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.147 2.404 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.708 3.296 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.193 3.641 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.135 4.973 0.113 1.00 0.00 H new ATOM 388 N GLU A 29 4.797 7.843 4.360 1.00 0.00 N ATOM 389 CA GLU A 29 4.020 8.639 5.302 1.00 0.00 C ATOM 390 C GLU A 29 3.504 9.914 4.642 1.00 0.00 C ATOM 391 O GLU A 29 2.328 10.257 4.767 1.00 0.00 O ATOM 392 CB GLU A 29 4.869 8.991 6.527 1.00 0.00 C ATOM 393 CG GLU A 29 5.328 7.776 7.317 1.00 0.00 C ATOM 394 CD GLU A 29 6.197 8.146 8.503 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.424 8.294 8.317 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.652 8.286 9.618 1.00 0.00 O ATOM 0 H GLU A 29 5.758 7.665 4.651 1.00 0.00 H new ATOM 0 HA GLU A 29 3.163 8.045 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.744 9.555 6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.293 9.644 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.456 7.225 7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.883 7.108 6.659 1.00 0.00 H new ATOM 403 N ASP A 30 4.393 10.612 3.941 1.00 0.00 N ATOM 404 CA ASP A 30 4.028 11.848 3.256 1.00 0.00 C ATOM 405 C ASP A 30 2.890 11.612 2.266 1.00 0.00 C ATOM 406 O ASP A 30 2.056 12.490 2.042 1.00 0.00 O ATOM 407 CB ASP A 30 5.240 12.429 2.526 1.00 0.00 C ATOM 408 CG ASP A 30 6.327 12.887 3.479 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.214 14.012 4.013 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.291 12.124 3.692 1.00 0.00 O ATOM 0 H ASP A 30 5.371 10.343 3.832 1.00 0.00 H new ATOM 0 HA ASP A 30 3.688 12.560 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.647 11.678 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.921 13.271 1.912 1.00 0.00 H new ATOM 415 N ILE A 31 2.863 10.420 1.677 1.00 0.00 N ATOM 416 CA ILE A 31 1.829 10.066 0.710 1.00 0.00 C ATOM 417 C ILE A 31 0.511 9.744 1.405 1.00 0.00 C ATOM 418 O ILE A 31 -0.562 10.104 0.921 1.00 0.00 O ATOM 419 CB ILE A 31 2.255 8.857 -0.148 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.588 9.143 -0.843 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.176 8.525 -1.171 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.203 7.925 -1.496 1.00 0.00 C ATOM 0 H ILE A 31 3.546 9.683 1.853 1.00 0.00 H new ATOM 0 HA ILE A 31 1.691 10.932 0.063 1.00 0.00 H new ATOM 0 HB ILE A 31 2.385 7.994 0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.436 9.913 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.290 9.547 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.492 7.670 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.247 8.284 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.016 9.384 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.145 8.202 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.387 7.161 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.520 7.533 -2.250 1.00 0.00 H new ATOM 434 N ILE A 32 0.600 9.064 2.544 1.00 0.00 N ATOM 435 CA ILE A 32 -0.584 8.689 3.306 1.00 0.00 C ATOM 436 C ILE A 32 -1.347 9.922 3.782 1.00 0.00 C ATOM 437 O ILE A 32 -2.568 9.890 3.931 1.00 0.00 O ATOM 438 CB ILE A 32 -0.210 7.819 4.525 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.444 6.514 4.064 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.437 7.525 5.375 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.133 5.757 5.179 1.00 0.00 C ATOM 0 H ILE A 32 1.481 8.762 2.959 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.224 8.111 2.639 1.00 0.00 H new ATOM 0 HB ILE A 32 0.503 8.372 5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.317 5.874 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.171 6.737 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.150 6.911 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.866 8.462 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.175 6.992 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.574 4.843 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.917 6.379 5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.405 5.502 5.950 1.00 0.00 H new ATOM 453 N MET A 33 -0.620 11.011 4.014 1.00 0.00 N ATOM 454 CA MET A 33 -1.231 12.252 4.478 1.00 0.00 C ATOM 455 C MET A 33 -1.256 13.301 3.369 1.00 0.00 C ATOM 456 O MET A 33 -1.526 14.475 3.620 1.00 0.00 O ATOM 457 CB MET A 33 -0.472 12.790 5.692 1.00 0.00 C ATOM 458 CG MET A 33 -0.384 11.795 6.839 1.00 0.00 C ATOM 459 SD MET A 33 0.496 12.453 8.267 1.00 0.00 S ATOM 460 CE MET A 33 0.463 11.037 9.364 1.00 0.00 C ATOM 0 H MET A 33 0.391 11.059 3.889 1.00 0.00 H new ATOM 0 HA MET A 33 -2.260 12.036 4.765 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.536 13.070 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.962 13.697 6.045 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.390 11.505 7.140 1.00 0.00 H new ATOM 0 HG3 MET A 33 0.118 10.892 6.493 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.971 11.287 10.296 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.571 10.765 9.576 1.00 0.00 H new ATOM 0 HE3 MET A 33 0.969 10.197 8.889 1.00 0.00 H new ATOM 470 N ASP A 34 -0.981 12.868 2.142 1.00 0.00 N ATOM 471 CA ASP A 34 -0.975 13.775 1.000 1.00 0.00 C ATOM 472 C ASP A 34 -2.397 14.171 0.614 1.00 0.00 C ATOM 473 O ASP A 34 -3.310 13.347 0.644 1.00 0.00 O ATOM 474 CB ASP A 34 -0.269 13.125 -0.192 1.00 0.00 C ATOM 475 CG ASP A 34 -0.097 14.085 -1.353 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.921 14.807 -1.380 1.00 0.00 O ATOM 477 OD2 ASP A 34 -0.981 14.112 -2.235 1.00 0.00 O ATOM 0 H ASP A 34 -0.760 11.899 1.914 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.432 14.676 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.709 12.760 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.842 12.258 -0.522 1.00 0.00 H new ATOM 482 N ASP A 35 -2.574 15.438 0.251 1.00 0.00 N ATOM 483 CA ASP A 35 -3.884 15.952 -0.136 1.00 0.00 C ATOM 484 C ASP A 35 -4.455 15.171 -1.317 1.00 0.00 C ATOM 485 O ASP A 35 -5.606 14.737 -1.286 1.00 0.00 O ATOM 486 CB ASP A 35 -3.788 17.437 -0.490 1.00 0.00 C ATOM 487 CG ASP A 35 -5.119 18.018 -0.924 1.00 0.00 C ATOM 488 OD1 ASP A 35 -5.419 17.975 -2.136 1.00 0.00 O ATOM 489 OD2 ASP A 35 -5.863 18.514 -0.053 1.00 0.00 O ATOM 0 H ASP A 35 -1.825 16.129 0.217 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.557 15.829 0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.418 17.990 0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.059 17.570 -1.290 1.00 0.00 H new ATOM 494 N GLU A 36 -3.643 14.999 -2.356 1.00 0.00 N ATOM 495 CA GLU A 36 -4.068 14.272 -3.548 1.00 0.00 C ATOM 496 C GLU A 36 -4.463 12.840 -3.206 1.00 0.00 C ATOM 497 O GLU A 36 -5.262 12.221 -3.910 1.00 0.00 O ATOM 498 CB GLU A 36 -2.954 14.267 -4.597 1.00 0.00 C ATOM 499 CG GLU A 36 -2.566 15.654 -5.079 1.00 0.00 C ATOM 500 CD GLU A 36 -3.735 16.409 -5.680 1.00 0.00 C ATOM 501 OE1 GLU A 36 -3.956 16.287 -6.904 1.00 0.00 O ATOM 502 OE2 GLU A 36 -4.431 17.121 -4.926 1.00 0.00 O ATOM 0 H GLU A 36 -2.687 15.353 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.940 14.782 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.074 13.778 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.274 13.671 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.160 16.225 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.773 15.568 -5.822 1.00 0.00 H new ATOM 509 N PHE A 37 -3.899 12.316 -2.123 1.00 0.00 N ATOM 510 CA PHE A 37 -4.193 10.955 -1.693 1.00 0.00 C ATOM 511 C PHE A 37 -5.578 10.869 -1.058 1.00 0.00 C ATOM 512 O PHE A 37 -6.364 9.983 -1.388 1.00 0.00 O ATOM 513 CB PHE A 37 -3.133 10.465 -0.703 1.00 0.00 C ATOM 514 CG PHE A 37 -3.336 9.041 -0.266 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.940 7.991 -1.079 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.922 8.754 0.956 1.00 0.00 C ATOM 517 CE1 PHE A 37 -3.125 6.681 -0.680 1.00 0.00 C ATOM 518 CE2 PHE A 37 -4.109 7.445 1.360 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.711 6.407 0.540 1.00 0.00 C ATOM 0 H PHE A 37 -3.236 12.813 -1.528 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.178 10.315 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.148 10.560 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.140 11.111 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.482 8.199 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.236 9.562 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.811 5.871 -1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.566 7.234 2.316 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.858 5.384 0.852 1.00 0.00 H new ATOM 529 N GLN A 38 -5.869 11.792 -0.147 1.00 0.00 N ATOM 530 CA GLN A 38 -7.160 11.817 0.533 1.00 0.00 C ATOM 531 C GLN A 38 -8.296 12.064 -0.453 1.00 0.00 C ATOM 532 O GLN A 38 -9.392 11.524 -0.299 1.00 0.00 O ATOM 533 CB GLN A 38 -7.164 12.897 1.616 1.00 0.00 C ATOM 534 CG GLN A 38 -6.068 12.716 2.652 1.00 0.00 C ATOM 535 CD GLN A 38 -6.248 11.456 3.476 1.00 0.00 C ATOM 536 OE1 GLN A 38 -7.370 11.001 3.703 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.140 10.881 3.929 1.00 0.00 N ATOM 0 H GLN A 38 -5.228 12.533 0.138 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.317 10.843 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.051 13.874 1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.132 12.895 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.101 12.683 2.150 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.054 13.581 3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.230 11.291 3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.199 10.030 4.488 1.00 0.00 H new ATOM 546 N LEU A 39 -8.030 12.881 -1.467 1.00 0.00 N ATOM 547 CA LEU A 39 -9.033 13.200 -2.477 1.00 0.00 C ATOM 548 C LEU A 39 -9.345 11.972 -3.329 1.00 0.00 C ATOM 549 O LEU A 39 -10.509 11.625 -3.534 1.00 0.00 O ATOM 550 CB LEU A 39 -8.539 14.351 -3.364 1.00 0.00 C ATOM 551 CG LEU A 39 -9.630 15.175 -4.064 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.366 14.339 -5.100 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.608 15.746 -3.047 1.00 0.00 C ATOM 0 H LEU A 39 -7.128 13.334 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.948 13.510 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.939 15.024 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.877 13.939 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.145 16.004 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.133 14.947 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.660 13.986 -5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.834 13.484 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.373 16.326 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.080 14.931 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.073 16.391 -2.350 1.00 0.00 H new ATOM 565 N LEU A 40 -8.297 11.318 -3.818 1.00 0.00 N ATOM 566 CA LEU A 40 -8.452 10.130 -4.650 1.00 0.00 C ATOM 567 C LEU A 40 -8.957 8.946 -3.828 1.00 0.00 C ATOM 568 O LEU A 40 -9.598 8.039 -4.359 1.00 0.00 O ATOM 569 CB LEU A 40 -7.117 9.784 -5.318 1.00 0.00 C ATOM 570 CG LEU A 40 -7.123 8.522 -6.184 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.260 8.720 -7.420 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.631 7.325 -5.382 1.00 0.00 C ATOM 0 H LEU A 40 -7.328 11.591 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.193 10.344 -5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.811 10.627 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.361 9.667 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.147 8.329 -6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.276 7.813 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.649 9.553 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.235 8.937 -7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.641 6.436 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.615 7.512 -5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.284 7.169 -4.523 1.00 0.00 H new ATOM 584 N GLN A 41 -8.671 8.964 -2.530 1.00 0.00 N ATOM 585 CA GLN A 41 -9.093 7.886 -1.642 1.00 0.00 C ATOM 586 C GLN A 41 -10.595 7.940 -1.380 1.00 0.00 C ATOM 587 O GLN A 41 -11.299 6.949 -1.560 1.00 0.00 O ATOM 588 CB GLN A 41 -8.330 7.959 -0.317 1.00 0.00 C ATOM 589 CG GLN A 41 -8.718 6.870 0.670 1.00 0.00 C ATOM 590 CD GLN A 41 -7.932 6.950 1.965 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.519 8.029 2.388 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.722 5.804 2.601 1.00 0.00 N ATOM 0 H GLN A 41 -8.150 9.711 -2.070 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.867 6.941 -2.135 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.261 7.891 -0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.506 8.932 0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.783 6.947 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.557 5.895 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.083 4.932 2.214 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.200 5.795 3.477 1.00 0.00 H new ATOM 601 N ARG A 42 -11.077 9.101 -0.954 1.00 0.00 N ATOM 602 CA ARG A 42 -12.496 9.281 -0.658 1.00 0.00 C ATOM 603 C ARG A 42 -13.348 9.171 -1.921 1.00 0.00 C ATOM 604 O ARG A 42 -14.471 8.667 -1.881 1.00 0.00 O ATOM 605 CB ARG A 42 -12.727 10.639 0.005 1.00 0.00 C ATOM 606 CG ARG A 42 -11.955 10.825 1.302 1.00 0.00 C ATOM 607 CD ARG A 42 -12.529 9.972 2.423 1.00 0.00 C ATOM 608 NE ARG A 42 -13.892 10.371 2.767 1.00 0.00 N ATOM 609 CZ ARG A 42 -14.483 10.064 3.919 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.834 9.354 4.834 1.00 0.00 N ATOM 611 NH2 ARG A 42 -15.725 10.466 4.156 1.00 0.00 N ATOM 0 H ARG A 42 -10.507 9.934 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.797 8.487 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.443 11.427 -0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -13.792 10.759 0.206 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.909 10.563 1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.980 11.875 1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.522 8.924 2.122 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.893 10.055 3.304 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.420 10.916 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.879 9.042 4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.290 9.120 5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.227 11.011 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.178 10.230 5.039 1.00 0.00 H new ATOM 625 N ASN A 43 -12.805 9.641 -3.039 1.00 0.00 N ATOM 626 CA ASN A 43 -13.520 9.613 -4.311 1.00 0.00 C ATOM 627 C ASN A 43 -13.779 8.183 -4.783 1.00 0.00 C ATOM 628 O ASN A 43 -14.895 7.847 -5.179 1.00 0.00 O ATOM 629 CB ASN A 43 -12.730 10.376 -5.376 1.00 0.00 C ATOM 630 CG ASN A 43 -13.413 10.357 -6.729 1.00 0.00 C ATOM 631 OD1 ASN A 43 -13.188 9.457 -7.539 1.00 0.00 O ATOM 632 ND2 ASN A 43 -14.252 11.354 -6.982 1.00 0.00 N ATOM 0 H ASN A 43 -11.871 10.047 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.485 10.095 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.596 11.409 -5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.735 9.940 -5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.740 11.395 -7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -14.409 12.079 -6.282 1.00 0.00 H new ATOM 639 N PHE A 44 -12.747 7.348 -4.740 1.00 0.00 N ATOM 640 CA PHE A 44 -12.870 5.961 -5.182 1.00 0.00 C ATOM 641 C PHE A 44 -13.551 5.083 -4.135 1.00 0.00 C ATOM 642 O PHE A 44 -14.472 4.332 -4.454 1.00 0.00 O ATOM 643 CB PHE A 44 -11.495 5.397 -5.536 1.00 0.00 C ATOM 644 CG PHE A 44 -11.021 5.808 -6.900 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.577 7.100 -7.135 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.026 4.904 -7.951 1.00 0.00 C ATOM 647 CE1 PHE A 44 -10.145 7.481 -8.390 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.594 5.280 -9.209 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.153 6.571 -9.429 1.00 0.00 C ATOM 0 H PHE A 44 -11.818 7.605 -4.405 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.502 5.955 -6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.771 5.728 -4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.531 4.309 -5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.569 7.817 -6.327 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.371 3.894 -7.785 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.801 8.491 -8.559 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -10.601 4.566 -10.019 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.815 6.868 -10.411 1.00 0.00 H new ATOM 659 N MET A 45 -13.096 5.174 -2.890 1.00 0.00 N ATOM 660 CA MET A 45 -13.671 4.375 -1.810 1.00 0.00 C ATOM 661 C MET A 45 -15.169 4.631 -1.667 1.00 0.00 C ATOM 662 O MET A 45 -15.908 3.770 -1.191 1.00 0.00 O ATOM 663 CB MET A 45 -12.965 4.668 -0.485 1.00 0.00 C ATOM 664 CG MET A 45 -11.559 4.094 -0.405 1.00 0.00 C ATOM 665 SD MET A 45 -10.871 4.175 1.260 1.00 0.00 S ATOM 666 CE MET A 45 -12.014 3.119 2.151 1.00 0.00 C ATOM 0 H MET A 45 -12.335 5.789 -2.603 1.00 0.00 H new ATOM 0 HA MET A 45 -13.525 3.326 -2.066 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.917 5.747 -0.339 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.561 4.262 0.332 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.575 3.056 -0.738 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.909 4.638 -1.090 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.465 2.519 2.877 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.749 3.734 2.670 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.524 2.460 1.448 1.00 0.00 H new ATOM 676 N ASP A 46 -15.611 5.816 -2.081 1.00 0.00 N ATOM 677 CA ASP A 46 -17.024 6.175 -1.997 1.00 0.00 C ATOM 678 C ASP A 46 -17.888 5.171 -2.755 1.00 0.00 C ATOM 679 O ASP A 46 -19.035 4.922 -2.388 1.00 0.00 O ATOM 680 CB ASP A 46 -17.251 7.580 -2.554 1.00 0.00 C ATOM 681 CG ASP A 46 -18.701 8.011 -2.464 1.00 0.00 C ATOM 682 OD1 ASP A 46 -19.472 7.702 -3.396 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.066 8.660 -1.460 1.00 0.00 O ATOM 0 H ASP A 46 -15.013 6.542 -2.477 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.313 6.157 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.630 8.289 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.930 7.611 -3.595 1.00 0.00 H new ATOM 688 N LYS A 47 -17.330 4.602 -3.818 1.00 0.00 N ATOM 689 CA LYS A 47 -18.046 3.625 -4.631 1.00 0.00 C ATOM 690 C LYS A 47 -17.688 2.200 -4.221 1.00 0.00 C ATOM 691 O LYS A 47 -18.542 1.314 -4.203 1.00 0.00 O ATOM 692 CB LYS A 47 -17.719 3.832 -6.108 1.00 0.00 C ATOM 693 CG LYS A 47 -18.194 5.168 -6.658 1.00 0.00 C ATOM 694 CD LYS A 47 -19.709 5.283 -6.619 1.00 0.00 C ATOM 695 CE LYS A 47 -20.183 6.602 -7.207 1.00 0.00 C ATOM 696 NZ LYS A 47 -19.600 7.770 -6.490 1.00 0.00 N ATOM 0 H LYS A 47 -16.382 4.801 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.114 3.771 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.641 3.755 -6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.173 3.028 -6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.752 5.978 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.846 5.284 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.152 4.456 -7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.055 5.197 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.909 6.649 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.271 6.652 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.149 8.624 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.630 7.598 -5.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.613 7.904 -6.790 1.00 0.00 H new ATOM 710 N TYR A 48 -16.418 1.990 -3.899 1.00 0.00 N ATOM 711 CA TYR A 48 -15.929 0.676 -3.493 1.00 0.00 C ATOM 712 C TYR A 48 -16.746 0.104 -2.337 1.00 0.00 C ATOM 713 O TYR A 48 -17.236 -1.022 -2.413 1.00 0.00 O ATOM 714 CB TYR A 48 -14.455 0.759 -3.092 1.00 0.00 C ATOM 715 CG TYR A 48 -13.494 0.617 -4.253 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.538 1.493 -5.330 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.542 -0.397 -4.271 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.661 1.363 -6.391 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.662 -0.532 -5.328 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.726 0.350 -6.385 1.00 0.00 C ATOM 721 OH TYR A 48 -10.850 0.220 -7.438 1.00 0.00 O ATOM 0 H TYR A 48 -15.703 2.717 -3.911 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.037 0.008 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.276 1.715 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.243 -0.021 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.269 2.288 -5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.490 -1.091 -3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.708 2.052 -7.221 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.928 -1.324 -5.326 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.161 0.765 -8.191 1.00 0.00 H new ATOM 731 N TYR A 49 -16.893 0.883 -1.268 1.00 0.00 N ATOM 732 CA TYR A 49 -17.640 0.431 -0.096 1.00 0.00 C ATOM 733 C TYR A 49 -19.098 0.134 -0.446 1.00 0.00 C ATOM 734 O TYR A 49 -19.787 -0.574 0.289 1.00 0.00 O ATOM 735 CB TYR A 49 -17.550 1.466 1.038 1.00 0.00 C ATOM 736 CG TYR A 49 -18.722 2.424 1.125 1.00 0.00 C ATOM 737 CD1 TYR A 49 -19.836 2.121 1.901 1.00 0.00 C ATOM 738 CD2 TYR A 49 -18.707 3.636 0.445 1.00 0.00 C ATOM 739 CE1 TYR A 49 -20.902 2.996 1.992 1.00 0.00 C ATOM 740 CE2 TYR A 49 -19.770 4.517 0.533 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.863 4.191 1.307 1.00 0.00 C ATOM 742 OH TYR A 49 -21.923 5.066 1.394 1.00 0.00 O ATOM 0 H TYR A 49 -16.508 1.824 -1.188 1.00 0.00 H new ATOM 0 HA TYR A 49 -17.187 -0.498 0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -17.462 0.937 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.635 2.045 0.910 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -19.868 1.186 2.441 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -17.852 3.894 -0.162 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -21.761 2.745 2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -19.744 5.455 -0.002 1.00 0.00 H new ATOM 0 HH TYR A 49 -21.736 5.861 0.852 1.00 0.00 H new ATOM 752 N LEU A 50 -19.562 0.674 -1.570 1.00 0.00 N ATOM 753 CA LEU A 50 -20.937 0.457 -2.008 1.00 0.00 C ATOM 754 C LEU A 50 -21.081 -0.885 -2.717 1.00 0.00 C ATOM 755 O LEU A 50 -22.052 -1.611 -2.501 1.00 0.00 O ATOM 756 CB LEU A 50 -21.387 1.584 -2.940 1.00 0.00 C ATOM 757 CG LEU A 50 -21.577 2.945 -2.273 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.844 4.015 -3.318 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.714 2.888 -1.263 1.00 0.00 C ATOM 0 H LEU A 50 -19.008 1.263 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.571 0.451 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.652 1.688 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.327 1.293 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.660 3.203 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.977 4.979 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.999 4.072 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.747 3.763 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.836 3.866 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.638 2.610 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.484 2.147 -0.497 1.00 0.00 H new ATOM 771 N GLU A 51 -20.109 -1.208 -3.563 1.00 0.00 N ATOM 772 CA GLU A 51 -20.129 -2.460 -4.309 1.00 0.00 C ATOM 773 C GLU A 51 -19.806 -3.643 -3.400 1.00 0.00 C ATOM 774 O GLU A 51 -20.297 -4.753 -3.611 1.00 0.00 O ATOM 775 CB GLU A 51 -19.136 -2.399 -5.470 1.00 0.00 C ATOM 776 CG GLU A 51 -19.382 -1.236 -6.417 1.00 0.00 C ATOM 777 CD GLU A 51 -18.410 -1.213 -7.580 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.288 -0.692 -7.406 1.00 0.00 O ATOM 779 OE2 GLU A 51 -18.771 -1.715 -8.665 1.00 0.00 O ATOM 0 H GLU A 51 -19.297 -0.619 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.133 -2.602 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.125 -2.324 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.188 -3.332 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.400 -1.295 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.303 -0.300 -5.864 1.00 0.00 H new ATOM 786 N PHE A 52 -18.983 -3.399 -2.386 1.00 0.00 N ATOM 787 CA PHE A 52 -18.601 -4.449 -1.448 1.00 0.00 C ATOM 788 C PHE A 52 -19.654 -4.616 -0.359 1.00 0.00 C ATOM 789 O PHE A 52 -19.532 -4.057 0.731 1.00 0.00 O ATOM 790 CB PHE A 52 -17.241 -4.140 -0.820 1.00 0.00 C ATOM 791 CG PHE A 52 -16.074 -4.534 -1.682 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.701 -3.756 -2.765 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.349 -5.681 -1.404 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.627 -4.116 -3.557 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.274 -6.046 -2.192 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.912 -5.262 -3.269 1.00 0.00 C ATOM 0 H PHE A 52 -18.569 -2.487 -2.193 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.528 -5.384 -2.003 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.182 -3.072 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.166 -4.658 0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.256 -2.858 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.627 -6.297 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.347 -3.502 -4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.718 -6.944 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.071 -5.544 -3.885 1.00 0.00 H new ATOM 806 N GLU A 53 -20.695 -5.381 -0.671 1.00 0.00 N ATOM 807 CA GLU A 53 -21.772 -5.631 0.281 1.00 0.00 C ATOM 808 C GLU A 53 -21.478 -6.872 1.116 1.00 0.00 C ATOM 809 O GLU A 53 -20.987 -7.876 0.600 1.00 0.00 O ATOM 810 CB GLU A 53 -23.102 -5.801 -0.455 1.00 0.00 C ATOM 811 CG GLU A 53 -23.554 -4.547 -1.188 1.00 0.00 C ATOM 812 CD GLU A 53 -23.813 -3.385 -0.251 1.00 0.00 C ATOM 813 OE1 GLU A 53 -24.960 -3.253 0.228 1.00 0.00 O ATOM 814 OE2 GLU A 53 -22.871 -2.606 0.003 1.00 0.00 O ATOM 0 H GLU A 53 -20.816 -5.838 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.842 -4.772 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.010 -6.618 -1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.871 -6.090 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.793 -4.261 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.463 -4.766 -1.749 1.00 0.00 H new ATOM 821 N ASP A 54 -21.782 -6.797 2.408 1.00 0.00 N ATOM 822 CA ASP A 54 -21.553 -7.908 3.312 1.00 0.00 C ATOM 823 C ASP A 54 -22.523 -9.052 3.029 1.00 0.00 C ATOM 824 O ASP A 54 -23.635 -9.083 3.555 1.00 0.00 O ATOM 825 CB ASP A 54 -21.700 -7.431 4.755 1.00 0.00 C ATOM 826 CG ASP A 54 -22.970 -6.632 4.977 1.00 0.00 C ATOM 827 OD1 ASP A 54 -22.977 -5.428 4.650 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.955 -7.212 5.481 1.00 0.00 O ATOM 0 H ASP A 54 -22.189 -5.973 2.849 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.541 -8.282 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.696 -8.294 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -20.838 -6.819 5.021 1.00 0.00 H new ATOM 833 N THR A 55 -22.093 -9.985 2.186 1.00 0.00 N ATOM 834 CA THR A 55 -22.919 -11.131 1.828 1.00 0.00 C ATOM 835 C THR A 55 -22.119 -12.428 1.887 1.00 0.00 C ATOM 836 O THR A 55 -20.892 -12.407 1.997 1.00 0.00 O ATOM 837 CB THR A 55 -23.516 -10.976 0.417 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.468 -10.788 -0.541 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.476 -9.798 0.363 1.00 0.00 C ATOM 0 H THR A 55 -21.177 -9.969 1.738 1.00 0.00 H new ATOM 0 HA THR A 55 -23.729 -11.173 2.556 1.00 0.00 H new ATOM 0 HB THR A 55 -24.067 -11.885 0.178 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.319 -11.624 -1.031 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.885 -9.708 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.288 -9.958 1.072 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.944 -8.883 0.621 1.00 0.00 H new ATOM 847 N GLU A 56 -22.821 -13.553 1.811 1.00 0.00 N ATOM 848 CA GLU A 56 -22.177 -14.860 1.853 1.00 0.00 C ATOM 849 C GLU A 56 -21.849 -15.347 0.445 1.00 0.00 C ATOM 850 O GLU A 56 -21.051 -16.267 0.266 1.00 0.00 O ATOM 851 CB GLU A 56 -23.076 -15.879 2.559 1.00 0.00 C ATOM 852 CG GLU A 56 -23.271 -15.605 4.043 1.00 0.00 C ATOM 853 CD GLU A 56 -24.031 -14.319 4.309 1.00 0.00 C ATOM 854 OE1 GLU A 56 -25.280 -14.355 4.295 1.00 0.00 O ATOM 855 OE2 GLU A 56 -23.377 -13.279 4.532 1.00 0.00 O ATOM 0 H GLU A 56 -23.836 -13.586 1.720 1.00 0.00 H new ATOM 0 HA GLU A 56 -21.248 -14.759 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.050 -15.889 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -22.647 -16.874 2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -23.808 -16.439 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -22.297 -15.553 4.529 1.00 0.00 H new ATOM 862 N GLU A 57 -22.472 -14.722 -0.550 1.00 0.00 N ATOM 863 CA GLU A 57 -22.249 -15.088 -1.944 1.00 0.00 C ATOM 864 C GLU A 57 -21.243 -14.146 -2.601 1.00 0.00 C ATOM 865 O GLU A 57 -21.371 -12.926 -2.508 1.00 0.00 O ATOM 866 CB GLU A 57 -23.571 -15.062 -2.714 1.00 0.00 C ATOM 867 CG GLU A 57 -23.433 -15.456 -4.177 1.00 0.00 C ATOM 868 CD GLU A 57 -24.761 -15.452 -4.910 1.00 0.00 C ATOM 869 OE1 GLU A 57 -25.143 -14.387 -5.439 1.00 0.00 O ATOM 870 OE2 GLU A 57 -25.417 -16.513 -4.956 1.00 0.00 O ATOM 0 H GLU A 57 -23.136 -13.959 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.840 -16.098 -1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.277 -15.737 -2.230 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.996 -14.060 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -22.747 -14.768 -4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -22.990 -16.450 -4.242 1.00 0.00 H new ATOM 877 N ASN A 58 -20.245 -14.723 -3.264 1.00 0.00 N ATOM 878 CA ASN A 58 -19.216 -13.937 -3.935 1.00 0.00 C ATOM 879 C ASN A 58 -19.592 -13.674 -5.390 1.00 0.00 C ATOM 880 O ASN A 58 -19.984 -14.590 -6.115 1.00 0.00 O ATOM 881 CB ASN A 58 -17.866 -14.654 -3.867 1.00 0.00 C ATOM 882 CG ASN A 58 -17.905 -16.028 -4.509 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.194 -17.027 -3.850 1.00 0.00 O ATOM 884 ND2 ASN A 58 -17.612 -16.085 -5.803 1.00 0.00 N ATOM 0 H ASN A 58 -20.127 -15.732 -3.351 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.136 -12.980 -3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.110 -14.046 -4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.562 -14.752 -2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.621 -16.982 -6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.378 -15.232 -6.311 1.00 0.00 H new ATOM 891 N LYS A 59 -19.470 -12.419 -5.811 1.00 0.00 N ATOM 892 CA LYS A 59 -19.795 -12.036 -7.180 1.00 0.00 C ATOM 893 C LYS A 59 -18.535 -11.945 -8.035 1.00 0.00 C ATOM 894 O LYS A 59 -17.422 -11.873 -7.512 1.00 0.00 O ATOM 895 CB LYS A 59 -20.531 -10.695 -7.200 1.00 0.00 C ATOM 896 CG LYS A 59 -21.815 -10.685 -6.388 1.00 0.00 C ATOM 897 CD LYS A 59 -22.518 -9.341 -6.483 1.00 0.00 C ATOM 898 CE LYS A 59 -23.740 -9.282 -5.581 1.00 0.00 C ATOM 899 NZ LYS A 59 -24.458 -7.983 -5.704 1.00 0.00 N ATOM 0 H LYS A 59 -19.148 -11.650 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.444 -12.806 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -19.865 -9.921 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -20.764 -10.435 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.480 -11.472 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.590 -10.907 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -21.824 -8.547 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -22.818 -9.159 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.418 -10.097 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -23.435 -9.432 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.285 -7.982 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.819 -7.207 -5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.772 -7.852 -6.687 1.00 0.00 H new ATOM 913 N LEU A 60 -18.719 -11.947 -9.350 1.00 0.00 N ATOM 914 CA LEU A 60 -17.599 -11.862 -10.280 1.00 0.00 C ATOM 915 C LEU A 60 -17.121 -10.420 -10.423 1.00 0.00 C ATOM 916 O LEU A 60 -16.022 -10.166 -10.915 1.00 0.00 O ATOM 917 CB LEU A 60 -18.006 -12.415 -11.648 1.00 0.00 C ATOM 918 CG LEU A 60 -16.879 -12.500 -12.680 1.00 0.00 C ATOM 919 CD1 LEU A 60 -15.822 -13.502 -12.240 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.436 -12.876 -14.045 1.00 0.00 C ATOM 0 H LEU A 60 -19.634 -12.007 -9.797 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.779 -12.460 -9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -18.425 -13.412 -11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -18.801 -11.789 -12.053 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.409 -11.520 -12.756 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.030 -13.547 -12.987 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.401 -13.191 -11.284 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -16.277 -14.487 -12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.622 -12.932 -14.767 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -17.932 -13.844 -13.981 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.154 -12.121 -14.366 1.00 0.00 H new ATOM 932 N ILE A 61 -17.953 -9.480 -9.985 1.00 0.00 N ATOM 933 CA ILE A 61 -17.621 -8.060 -10.062 1.00 0.00 C ATOM 934 C ILE A 61 -16.438 -7.722 -9.155 1.00 0.00 C ATOM 935 O ILE A 61 -15.832 -6.653 -9.270 1.00 0.00 O ATOM 936 CB ILE A 61 -18.834 -7.183 -9.676 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.551 -5.705 -9.962 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.190 -7.382 -8.209 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.300 -5.403 -11.424 1.00 0.00 C ATOM 0 H ILE A 61 -18.865 -9.676 -9.572 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.346 -7.848 -11.095 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.684 -7.491 -10.285 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.396 -5.110 -9.618 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.683 -5.392 -9.382 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.046 -6.757 -7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.440 -8.428 -8.034 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.339 -7.103 -7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.107 -4.337 -11.548 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.436 -5.970 -11.770 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.176 -5.684 -12.009 1.00 0.00 H new ATOM 951 N TYR A 62 -16.101 -8.649 -8.264 1.00 0.00 N ATOM 952 CA TYR A 62 -14.993 -8.451 -7.336 1.00 0.00 C ATOM 953 C TYR A 62 -13.645 -8.492 -8.051 1.00 0.00 C ATOM 954 O TYR A 62 -12.663 -7.936 -7.562 1.00 0.00 O ATOM 955 CB TYR A 62 -15.032 -9.506 -6.230 1.00 0.00 C ATOM 956 CG TYR A 62 -16.106 -9.258 -5.195 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.448 -9.452 -5.497 1.00 0.00 C ATOM 958 CD2 TYR A 62 -15.777 -8.830 -3.915 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.432 -9.225 -4.553 1.00 0.00 C ATOM 960 CE2 TYR A 62 -16.755 -8.601 -2.965 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.081 -8.800 -3.289 1.00 0.00 C ATOM 962 OH TYR A 62 -19.056 -8.573 -2.346 1.00 0.00 O ATOM 0 H TYR A 62 -16.579 -9.545 -8.165 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.107 -7.461 -6.894 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.192 -10.486 -6.680 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.062 -9.537 -5.734 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -17.727 -9.786 -6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -14.740 -8.674 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.471 -9.380 -4.804 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.482 -8.268 -1.974 1.00 0.00 H new ATOM 0 HH TYR A 62 -18.639 -8.279 -1.509 1.00 0.00 H new ATOM 972 N THR A 63 -13.599 -9.148 -9.210 1.00 0.00 N ATOM 973 CA THR A 63 -12.356 -9.249 -9.968 1.00 0.00 C ATOM 974 C THR A 63 -12.015 -7.925 -10.665 1.00 0.00 C ATOM 975 O THR A 63 -10.904 -7.419 -10.510 1.00 0.00 O ATOM 976 CB THR A 63 -12.402 -10.388 -11.008 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.724 -11.627 -10.364 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.065 -10.520 -11.725 1.00 0.00 C ATOM 0 H THR A 63 -14.399 -9.612 -9.640 1.00 0.00 H new ATOM 0 HA THR A 63 -11.573 -9.479 -9.245 1.00 0.00 H new ATOM 0 HB THR A 63 -13.171 -10.148 -11.742 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.753 -12.344 -11.031 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.121 -11.329 -12.453 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.833 -9.586 -12.237 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.283 -10.739 -10.998 1.00 0.00 H new ATOM 986 N PRO A 64 -12.951 -7.339 -11.446 1.00 0.00 N ATOM 987 CA PRO A 64 -12.705 -6.065 -12.132 1.00 0.00 C ATOM 988 C PRO A 64 -12.375 -4.945 -11.151 1.00 0.00 C ATOM 989 O PRO A 64 -11.428 -4.185 -11.358 1.00 0.00 O ATOM 990 CB PRO A 64 -14.025 -5.768 -12.851 1.00 0.00 C ATOM 991 CG PRO A 64 -14.713 -7.084 -12.956 1.00 0.00 C ATOM 992 CD PRO A 64 -14.299 -7.860 -11.741 1.00 0.00 C ATOM 0 HA PRO A 64 -11.851 -6.128 -12.806 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.627 -5.052 -12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.849 -5.335 -13.836 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.795 -6.958 -12.989 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.424 -7.604 -13.869 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.983 -7.698 -10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.282 -8.932 -11.936 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.162 -4.847 -10.081 1.00 0.00 N ATOM 1001 CA ILE A 65 -12.949 -3.817 -9.070 1.00 0.00 C ATOM 1002 C ILE A 65 -11.569 -3.950 -8.432 1.00 0.00 C ATOM 1003 O ILE A 65 -10.870 -2.956 -8.229 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.026 -3.881 -7.968 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.419 -3.707 -8.575 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.769 -2.815 -6.912 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.544 -3.987 -7.601 1.00 0.00 C ATOM 0 H ILE A 65 -13.950 -5.467 -9.893 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.018 -2.855 -9.577 1.00 0.00 H new ATOM 0 HB ILE A 65 -13.976 -4.859 -7.490 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.519 -2.688 -8.949 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.518 -4.372 -9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.538 -2.873 -6.141 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.790 -2.978 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.795 -1.829 -7.376 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.502 -3.844 -8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.470 -5.015 -7.246 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.471 -3.304 -6.754 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.182 -5.183 -8.117 1.00 0.00 N ATOM 1020 CA PHE A 66 -9.885 -5.443 -7.501 1.00 0.00 C ATOM 1021 C PHE A 66 -8.750 -4.980 -8.410 1.00 0.00 C ATOM 1022 O PHE A 66 -7.796 -4.350 -7.955 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.731 -6.934 -7.193 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.430 -7.281 -6.528 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.217 -6.978 -5.193 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.420 -7.909 -7.238 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.021 -7.295 -4.578 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.222 -8.228 -6.629 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.021 -7.922 -5.298 1.00 0.00 C ATOM 0 H PHE A 66 -11.747 -6.017 -8.278 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.834 -4.880 -6.569 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.553 -7.250 -6.551 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.816 -7.499 -8.121 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.995 -6.488 -4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.571 -8.152 -8.279 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.868 -7.053 -3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.442 -8.717 -7.194 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.085 -8.172 -4.820 1.00 0.00 H new ATOM 1039 N ASN A 67 -8.862 -5.297 -9.695 1.00 0.00 N ATOM 1040 CA ASN A 67 -7.848 -4.916 -10.671 1.00 0.00 C ATOM 1041 C ASN A 67 -7.695 -3.401 -10.735 1.00 0.00 C ATOM 1042 O ASN A 67 -6.603 -2.888 -10.981 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.213 -5.464 -12.052 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.339 -6.975 -12.057 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -9.137 -7.540 -12.806 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -7.550 -7.641 -11.220 1.00 0.00 N ATOM 0 H ASN A 67 -9.647 -5.818 -10.086 1.00 0.00 H new ATOM 0 HA ASN A 67 -6.896 -5.344 -10.357 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.154 -5.022 -12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.453 -5.163 -12.773 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.592 -8.659 -11.181 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.903 -7.134 -10.616 1.00 0.00 H new ATOM 1053 N GLU A 68 -8.796 -2.690 -10.511 1.00 0.00 N ATOM 1054 CA GLU A 68 -8.783 -1.231 -10.540 1.00 0.00 C ATOM 1055 C GLU A 68 -7.996 -0.674 -9.359 1.00 0.00 C ATOM 1056 O GLU A 68 -7.289 0.324 -9.487 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.214 -0.689 -10.515 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.292 0.830 -10.527 1.00 0.00 C ATOM 1059 CD GLU A 68 -11.720 1.339 -10.568 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.280 1.444 -11.679 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.276 1.632 -9.490 1.00 0.00 O ATOM 0 H GLU A 68 -9.708 -3.100 -10.308 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.297 -0.912 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.756 -1.079 -11.377 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.719 -1.063 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.795 1.223 -9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.749 1.211 -11.392 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.129 -1.327 -8.209 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.434 -0.904 -6.998 1.00 0.00 C ATOM 1070 C TYR A 69 -5.933 -1.162 -7.112 1.00 0.00 C ATOM 1071 O TYR A 69 -5.112 -0.340 -6.699 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.002 -1.650 -5.787 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.445 -1.184 -4.461 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.031 -0.130 -3.774 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.337 -1.803 -3.897 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.526 0.296 -2.559 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.829 -1.385 -2.683 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.425 -0.335 -2.018 1.00 0.00 C ATOM 1079 OH TYR A 69 -5.919 0.085 -0.809 1.00 0.00 O ATOM 0 H TYR A 69 -8.714 -2.154 -8.090 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.588 0.167 -6.869 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.086 -1.532 -5.776 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.799 -2.715 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.894 0.365 -4.194 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.865 -2.624 -4.416 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.991 1.119 -2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.968 -1.879 -2.256 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.144 -0.465 -0.570 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.586 -2.311 -7.677 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.190 -2.697 -7.847 1.00 0.00 C ATOM 1091 C ILE A 70 -3.520 -1.899 -8.963 1.00 0.00 C ATOM 1092 O ILE A 70 -2.311 -1.680 -8.939 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.064 -4.203 -8.148 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.806 -5.021 -7.084 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.599 -4.615 -8.219 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.247 -4.863 -5.685 1.00 0.00 C ATOM 0 H ILE A 70 -6.256 -2.996 -8.027 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.683 -2.477 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.520 -4.403 -9.118 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.855 -4.726 -7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.772 -6.075 -7.361 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.531 -5.682 -8.432 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.101 -4.054 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.115 -4.404 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.826 -5.473 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.206 -5.186 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.307 -3.817 -5.385 1.00 0.00 H new ATOM 1108 N SER A 71 -4.301 -1.475 -9.946 1.00 0.00 N ATOM 1109 CA SER A 71 -3.762 -0.711 -11.064 1.00 0.00 C ATOM 1110 C SER A 71 -3.698 0.782 -10.747 1.00 0.00 C ATOM 1111 O SER A 71 -2.797 1.481 -11.207 1.00 0.00 O ATOM 1112 CB SER A 71 -4.607 -0.940 -12.318 1.00 0.00 C ATOM 1113 OG SER A 71 -4.571 -2.299 -12.719 1.00 0.00 O ATOM 0 H SER A 71 -5.306 -1.645 -9.993 1.00 0.00 H new ATOM 0 HA SER A 71 -2.745 -1.061 -11.243 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.638 -0.642 -12.125 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.240 -0.309 -13.128 1.00 0.00 H new ATOM 0 HG SER A 71 -5.247 -2.805 -12.222 1.00 0.00 H new ATOM 1119 N LEU A 72 -4.659 1.270 -9.968 1.00 0.00 N ATOM 1120 CA LEU A 72 -4.706 2.687 -9.612 1.00 0.00 C ATOM 1121 C LEU A 72 -3.924 2.998 -8.333 1.00 0.00 C ATOM 1122 O LEU A 72 -2.955 3.756 -8.357 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.157 3.139 -9.439 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.340 4.631 -9.163 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.786 5.358 -10.422 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -7.338 4.843 -8.034 1.00 0.00 C ATOM 0 H LEU A 72 -5.413 0.709 -9.572 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.235 3.233 -10.430 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.712 2.881 -10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.602 2.576 -8.619 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.380 5.046 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.911 6.419 -10.205 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.033 5.233 -11.200 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.734 4.944 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.457 5.911 -7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.300 4.413 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.973 4.357 -7.129 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.353 2.403 -7.223 1.00 0.00 N ATOM 1139 CA VAL A 73 -3.725 2.643 -5.923 1.00 0.00 C ATOM 1140 C VAL A 73 -2.289 2.129 -5.849 1.00 0.00 C ATOM 1141 O VAL A 73 -1.367 2.898 -5.575 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.547 2.012 -4.784 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -3.871 2.241 -3.440 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -5.959 2.575 -4.782 1.00 0.00 C ATOM 0 H VAL A 73 -5.135 1.749 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.698 3.726 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.604 0.936 -4.951 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.469 1.787 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.879 1.789 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.780 3.312 -3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.530 2.121 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.920 3.655 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.440 2.353 -5.734 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.098 0.833 -6.079 1.00 0.00 N ATOM 1155 CA GLU A 74 -0.761 0.244 -6.009 1.00 0.00 C ATOM 1156 C GLU A 74 0.226 1.026 -6.871 1.00 0.00 C ATOM 1157 O GLU A 74 1.354 1.291 -6.453 1.00 0.00 O ATOM 1158 CB GLU A 74 -0.791 -1.218 -6.449 1.00 0.00 C ATOM 1159 CG GLU A 74 0.488 -1.978 -6.135 1.00 0.00 C ATOM 1160 CD GLU A 74 0.434 -3.423 -6.592 1.00 0.00 C ATOM 1161 OE1 GLU A 74 0.784 -3.689 -7.761 1.00 0.00 O ATOM 1162 OE2 GLU A 74 0.040 -4.288 -5.781 1.00 0.00 O ATOM 0 H GLU A 74 -2.842 0.175 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.431 0.293 -4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.629 -1.717 -5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.974 -1.261 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.330 -1.480 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.670 -1.947 -5.061 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.203 1.397 -8.073 1.00 0.00 N ATOM 1170 CA LYS A 75 0.650 2.151 -8.982 1.00 0.00 C ATOM 1171 C LYS A 75 0.788 3.600 -8.527 1.00 0.00 C ATOM 1172 O LYS A 75 1.769 4.266 -8.851 1.00 0.00 O ATOM 1173 CB LYS A 75 0.101 2.101 -10.408 1.00 0.00 C ATOM 1174 CG LYS A 75 0.220 0.732 -11.057 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.121 0.789 -12.536 1.00 0.00 C ATOM 1176 CE LYS A 75 0.014 -0.575 -13.193 1.00 0.00 C ATOM 1177 NZ LYS A 75 1.397 -1.113 -13.074 1.00 0.00 N ATOM 0 H LYS A 75 -1.132 1.189 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 75 1.637 1.689 -8.970 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.948 2.398 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.632 2.831 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.235 0.354 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.446 0.030 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.140 1.155 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.537 1.501 -13.035 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.687 -1.271 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.257 -0.499 -14.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.520 -1.905 -13.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.082 -0.363 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.557 -1.447 -12.102 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.199 4.087 -7.780 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.166 5.457 -7.281 1.00 0.00 C ATOM 1193 C TYR A 76 1.025 5.650 -6.348 1.00 0.00 C ATOM 1194 O TYR A 76 1.765 6.628 -6.462 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.469 5.798 -6.550 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.516 7.216 -6.020 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.989 8.257 -6.809 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.088 7.511 -4.731 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -2.033 9.554 -6.329 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.129 8.804 -4.245 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.603 9.821 -5.046 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.646 11.109 -4.564 1.00 0.00 O ATOM 0 H TYR A 76 -1.027 3.556 -7.508 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.061 6.130 -8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.307 5.646 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.602 5.104 -5.720 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.328 8.051 -7.813 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.718 6.717 -4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.402 10.353 -6.955 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.791 9.017 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.309 11.125 -3.644 1.00 0.00 H new ATOM 1212 N ILE A 77 1.202 4.708 -5.428 1.00 0.00 N ATOM 1213 CA ILE A 77 2.303 4.764 -4.474 1.00 0.00 C ATOM 1214 C ILE A 77 3.639 4.511 -5.167 1.00 0.00 C ATOM 1215 O ILE A 77 4.642 5.155 -4.857 1.00 0.00 O ATOM 1216 CB ILE A 77 2.120 3.728 -3.345 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.780 3.940 -2.636 1.00 0.00 C ATOM 1218 CG2 ILE A 77 3.272 3.815 -2.354 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.436 2.844 -1.649 1.00 0.00 C ATOM 0 H ILE A 77 0.595 3.895 -5.323 1.00 0.00 H new ATOM 0 HA ILE A 77 2.301 5.765 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 77 2.120 2.731 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.803 4.895 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.011 4.006 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.129 3.078 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.211 3.616 -2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.302 4.814 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.526 3.061 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.380 1.889 -2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.206 2.792 -0.880 1.00 0.00 H new ATOM 1231 N GLU A 78 3.643 3.570 -6.107 1.00 0.00 N ATOM 1232 CA GLU A 78 4.855 3.223 -6.842 1.00 0.00 C ATOM 1233 C GLU A 78 5.390 4.417 -7.632 1.00 0.00 C ATOM 1234 O GLU A 78 6.568 4.758 -7.536 1.00 0.00 O ATOM 1235 CB GLU A 78 4.578 2.056 -7.793 1.00 0.00 C ATOM 1236 CG GLU A 78 5.802 1.594 -8.566 1.00 0.00 C ATOM 1237 CD GLU A 78 5.483 0.497 -9.564 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.505 -0.688 -9.172 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.211 0.824 -10.739 1.00 0.00 O ATOM 0 H GLU A 78 2.819 3.033 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 78 5.612 2.929 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.184 1.217 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.803 2.351 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.236 2.444 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.555 1.234 -7.865 1.00 0.00 H new ATOM 1246 N GLU A 79 4.513 5.049 -8.407 1.00 0.00 N ATOM 1247 CA GLU A 79 4.895 6.197 -9.225 1.00 0.00 C ATOM 1248 C GLU A 79 5.446 7.340 -8.376 1.00 0.00 C ATOM 1249 O GLU A 79 6.493 7.904 -8.691 1.00 0.00 O ATOM 1250 CB GLU A 79 3.698 6.687 -10.043 1.00 0.00 C ATOM 1251 CG GLU A 79 3.264 5.717 -11.132 1.00 0.00 C ATOM 1252 CD GLU A 79 2.053 6.208 -11.900 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.918 5.953 -11.445 1.00 0.00 O ATOM 1254 OE2 GLU A 79 2.239 6.847 -12.956 1.00 0.00 O ATOM 0 H GLU A 79 3.531 4.785 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 79 5.686 5.869 -9.899 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.858 6.865 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.949 7.644 -10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.091 5.561 -11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.038 4.750 -10.683 1.00 0.00 H new ATOM 1261 N GLN A 80 4.739 7.677 -7.301 1.00 0.00 N ATOM 1262 CA GLN A 80 5.161 8.763 -6.420 1.00 0.00 C ATOM 1263 C GLN A 80 6.552 8.505 -5.851 1.00 0.00 C ATOM 1264 O GLN A 80 7.359 9.426 -5.722 1.00 0.00 O ATOM 1265 CB GLN A 80 4.155 8.953 -5.283 1.00 0.00 C ATOM 1266 CG GLN A 80 2.809 9.489 -5.746 1.00 0.00 C ATOM 1267 CD GLN A 80 2.923 10.846 -6.414 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.827 11.884 -5.759 1.00 0.00 O ATOM 1269 NE2 GLN A 80 3.129 10.843 -7.727 1.00 0.00 N ATOM 0 H GLN A 80 3.874 7.216 -7.019 1.00 0.00 H new ATOM 0 HA GLN A 80 5.201 9.676 -7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.003 7.998 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.576 9.638 -4.547 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.360 8.781 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.138 9.564 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.202 9.959 -8.230 1.00 0.00 H new ATOM 0 HE22 GLN A 80 3.214 11.725 -8.232 1.00 0.00 H new ATOM 1278 N LEU A 81 6.830 7.251 -5.512 1.00 0.00 N ATOM 1279 CA LEU A 81 8.130 6.882 -4.964 1.00 0.00 C ATOM 1280 C LEU A 81 9.211 6.957 -6.037 1.00 0.00 C ATOM 1281 O LEU A 81 10.362 7.287 -5.752 1.00 0.00 O ATOM 1282 CB LEU A 81 8.076 5.473 -4.366 1.00 0.00 C ATOM 1283 CG LEU A 81 7.222 5.333 -3.105 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.081 3.871 -2.716 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.827 6.132 -1.960 1.00 0.00 C ATOM 0 H LEU A 81 6.175 6.475 -5.607 1.00 0.00 H new ATOM 0 HA LEU A 81 8.380 7.590 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.693 4.789 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.092 5.155 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 81 6.229 5.730 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.470 3.791 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.604 3.323 -3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.067 3.449 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.206 6.021 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.831 5.764 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.878 7.185 -2.238 1.00 0.00 H new ATOM 1297 N LEU A 82 8.830 6.652 -7.274 1.00 0.00 N ATOM 1298 CA LEU A 82 9.764 6.686 -8.393 1.00 0.00 C ATOM 1299 C LEU A 82 10.188 8.117 -8.704 1.00 0.00 C ATOM 1300 O LEU A 82 11.273 8.353 -9.236 1.00 0.00 O ATOM 1301 CB LEU A 82 9.132 6.053 -9.635 1.00 0.00 C ATOM 1302 CG LEU A 82 8.943 4.537 -9.568 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.129 4.050 -10.757 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.290 3.832 -9.520 1.00 0.00 C ATOM 0 H LEU A 82 7.880 6.378 -7.526 1.00 0.00 H new ATOM 0 HA LEU A 82 10.648 6.114 -8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.161 6.517 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.753 6.288 -10.499 1.00 0.00 H new ATOM 0 HG LEU A 82 8.398 4.298 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.004 2.969 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.150 4.530 -10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.649 4.302 -11.681 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.135 2.754 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.861 4.077 -10.415 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.840 4.159 -8.638 1.00 0.00 H new ATOM 1316 N GLN A 83 9.322 9.071 -8.370 1.00 0.00 N ATOM 1317 CA GLN A 83 9.604 10.482 -8.615 1.00 0.00 C ATOM 1318 C GLN A 83 10.871 10.921 -7.887 1.00 0.00 C ATOM 1319 O GLN A 83 11.519 11.891 -8.281 1.00 0.00 O ATOM 1320 CB GLN A 83 8.424 11.347 -8.167 1.00 0.00 C ATOM 1321 CG GLN A 83 7.148 11.088 -8.950 1.00 0.00 C ATOM 1322 CD GLN A 83 6.008 11.989 -8.519 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.929 12.401 -7.361 1.00 0.00 O ATOM 1324 NE2 GLN A 83 5.115 12.302 -9.452 1.00 0.00 N ATOM 0 H GLN A 83 8.420 8.892 -7.929 1.00 0.00 H new ATOM 0 HA GLN A 83 9.757 10.612 -9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.234 11.167 -7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.696 12.398 -8.268 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.342 11.236 -10.012 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.852 10.047 -8.822 1.00 0.00 H new ATOM 0 HE21 GLN A 83 5.219 11.939 -10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.326 12.906 -9.221 1.00 0.00 H new ATOM 1333 N ARG A 84 11.220 10.200 -6.825 1.00 0.00 N ATOM 1334 CA ARG A 84 12.407 10.522 -6.042 1.00 0.00 C ATOM 1335 C ARG A 84 13.437 9.399 -6.119 1.00 0.00 C ATOM 1336 O ARG A 84 14.619 9.611 -5.847 1.00 0.00 O ATOM 1337 CB ARG A 84 12.025 10.782 -4.584 1.00 0.00 C ATOM 1338 CG ARG A 84 10.935 11.827 -4.417 1.00 0.00 C ATOM 1339 CD ARG A 84 10.671 12.127 -2.952 1.00 0.00 C ATOM 1340 NE ARG A 84 9.546 13.041 -2.772 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.179 13.538 -1.594 1.00 0.00 C ATOM 1342 NH1 ARG A 84 9.850 13.213 -0.496 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.141 14.359 -1.513 1.00 0.00 N ATOM 0 H ARG A 84 10.698 9.391 -6.488 1.00 0.00 H new ATOM 0 HA ARG A 84 12.853 11.424 -6.461 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.693 9.847 -4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.911 11.103 -4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.226 12.743 -4.930 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.017 11.476 -4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.469 11.196 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.565 12.561 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 84 9.011 13.314 -3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.649 12.581 -0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.567 13.595 0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.623 14.610 -2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.861 14.739 -0.609 1.00 0.00 H new ATOM 1357 N ILE A 85 12.983 8.206 -6.491 1.00 0.00 N ATOM 1358 CA ILE A 85 13.869 7.052 -6.602 1.00 0.00 C ATOM 1359 C ILE A 85 13.617 6.286 -7.901 1.00 0.00 C ATOM 1360 O ILE A 85 12.749 5.415 -7.955 1.00 0.00 O ATOM 1361 CB ILE A 85 13.692 6.091 -5.409 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.862 6.849 -4.089 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.687 4.942 -5.501 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.543 6.016 -2.865 1.00 0.00 C ATOM 0 H ILE A 85 12.008 8.013 -6.720 1.00 0.00 H new ATOM 0 HA ILE A 85 14.889 7.435 -6.602 1.00 0.00 H new ATOM 0 HB ILE A 85 12.685 5.675 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.888 7.208 -4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.217 7.727 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.549 4.273 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.523 4.392 -6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.702 5.338 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.686 6.618 -1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.508 5.678 -2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.206 5.151 -2.831 1.00 0.00 H new ATOM 1376 N PRO A 86 14.372 6.603 -8.972 1.00 0.00 N ATOM 1377 CA PRO A 86 14.220 5.935 -10.269 1.00 0.00 C ATOM 1378 C PRO A 86 14.707 4.492 -10.240 1.00 0.00 C ATOM 1379 O PRO A 86 14.615 3.775 -11.237 1.00 0.00 O ATOM 1380 CB PRO A 86 15.090 6.775 -11.206 1.00 0.00 C ATOM 1381 CG PRO A 86 16.113 7.395 -10.319 1.00 0.00 C ATOM 1382 CD PRO A 86 15.426 7.637 -9.004 1.00 0.00 C ATOM 0 HA PRO A 86 13.176 5.875 -10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.555 6.157 -11.975 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.500 7.534 -11.720 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.973 6.737 -10.195 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.484 8.328 -10.743 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.115 7.534 -8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.005 8.641 -8.949 1.00 0.00 H new ATOM 1390 N GLU A 87 15.227 4.073 -9.091 1.00 0.00 N ATOM 1391 CA GLU A 87 15.732 2.714 -8.928 1.00 0.00 C ATOM 1392 C GLU A 87 14.880 1.932 -7.932 1.00 0.00 C ATOM 1393 O GLU A 87 15.288 0.877 -7.447 1.00 0.00 O ATOM 1394 CB GLU A 87 17.189 2.743 -8.462 1.00 0.00 C ATOM 1395 CG GLU A 87 18.128 3.412 -9.453 1.00 0.00 C ATOM 1396 CD GLU A 87 19.568 3.418 -8.979 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.964 4.384 -8.293 1.00 0.00 O ATOM 1398 OE2 GLU A 87 20.301 2.456 -9.294 1.00 0.00 O ATOM 0 H GLU A 87 15.310 4.656 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 87 15.677 2.213 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.247 3.267 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.527 1.722 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.067 2.896 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.801 4.438 -9.622 1.00 0.00 H new ATOM 1405 N PHE A 88 13.694 2.455 -7.635 1.00 0.00 N ATOM 1406 CA PHE A 88 12.786 1.805 -6.697 1.00 0.00 C ATOM 1407 C PHE A 88 11.949 0.741 -7.396 1.00 0.00 C ATOM 1408 O PHE A 88 11.447 0.955 -8.501 1.00 0.00 O ATOM 1409 CB PHE A 88 11.866 2.836 -6.039 1.00 0.00 C ATOM 1410 CG PHE A 88 11.013 2.267 -4.939 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.487 2.209 -3.639 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.740 1.789 -5.205 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.708 1.686 -2.624 1.00 0.00 C ATOM 1414 CE2 PHE A 88 8.956 1.264 -4.195 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.440 1.213 -2.903 1.00 0.00 C ATOM 0 H PHE A 88 13.340 3.326 -8.030 1.00 0.00 H new ATOM 0 HA PHE A 88 13.390 1.323 -5.928 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.473 3.646 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.219 3.272 -6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.477 2.577 -3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.356 1.827 -6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.090 1.647 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 88 7.966 0.894 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.829 0.804 -2.112 1.00 0.00 H new ATOM 1425 N ASN A 89 11.805 -0.407 -6.745 1.00 0.00 N ATOM 1426 CA ASN A 89 11.022 -1.507 -7.292 1.00 0.00 C ATOM 1427 C ASN A 89 9.964 -1.949 -6.284 1.00 0.00 C ATOM 1428 O ASN A 89 10.267 -2.639 -5.310 1.00 0.00 O ATOM 1429 CB ASN A 89 11.934 -2.680 -7.661 1.00 0.00 C ATOM 1430 CG ASN A 89 11.288 -3.626 -8.654 1.00 0.00 C ATOM 1431 OD1 ASN A 89 11.400 -3.445 -9.866 1.00 0.00 O ATOM 1432 ND2 ASN A 89 10.609 -4.644 -8.143 1.00 0.00 N ATOM 0 H ASN A 89 12.222 -0.600 -5.834 1.00 0.00 H new ATOM 0 HA ASN A 89 10.521 -1.165 -8.197 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.863 -2.296 -8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 89 12.197 -3.230 -6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.154 -5.315 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.542 -4.756 -7.131 1.00 0.00 H new ATOM 1439 N MET A 90 8.723 -1.535 -6.526 1.00 0.00 N ATOM 1440 CA MET A 90 7.608 -1.859 -5.639 1.00 0.00 C ATOM 1441 C MET A 90 7.511 -3.360 -5.370 1.00 0.00 C ATOM 1442 O MET A 90 7.371 -3.783 -4.223 1.00 0.00 O ATOM 1443 CB MET A 90 6.295 -1.355 -6.240 1.00 0.00 C ATOM 1444 CG MET A 90 5.388 -0.668 -5.234 1.00 0.00 C ATOM 1445 SD MET A 90 4.946 -1.734 -3.850 1.00 0.00 S ATOM 1446 CE MET A 90 4.007 -0.596 -2.833 1.00 0.00 C ATOM 0 H MET A 90 8.463 -0.971 -7.335 1.00 0.00 H new ATOM 0 HA MET A 90 7.792 -1.361 -4.687 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.519 -0.659 -7.049 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.761 -2.196 -6.682 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.885 0.225 -4.855 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.479 -0.338 -5.737 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.663 -1.109 -1.935 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.639 0.246 -2.550 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.147 -0.231 -3.394 1.00 0.00 H new ATOM 1456 N ALA A 91 7.582 -4.158 -6.432 1.00 0.00 N ATOM 1457 CA ALA A 91 7.492 -5.611 -6.309 1.00 0.00 C ATOM 1458 C ALA A 91 8.482 -6.154 -5.282 1.00 0.00 C ATOM 1459 O ALA A 91 8.095 -6.804 -4.311 1.00 0.00 O ATOM 1460 CB ALA A 91 7.731 -6.266 -7.662 1.00 0.00 C ATOM 0 H ALA A 91 7.702 -3.823 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 91 6.488 -5.852 -5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.662 -7.349 -7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.979 -5.920 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.723 -5.999 -8.025 1.00 0.00 H new ATOM 1466 N ALA A 92 9.762 -5.880 -5.505 1.00 0.00 N ATOM 1467 CA ALA A 92 10.817 -6.341 -4.609 1.00 0.00 C ATOM 1468 C ALA A 92 10.677 -5.731 -3.219 1.00 0.00 C ATOM 1469 O ALA A 92 11.076 -6.337 -2.224 1.00 0.00 O ATOM 1470 CB ALA A 92 12.180 -6.010 -5.196 1.00 0.00 C ATOM 0 H ALA A 92 10.096 -5.338 -6.302 1.00 0.00 H new ATOM 0 HA ALA A 92 10.723 -7.422 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.961 -6.358 -4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.290 -6.503 -6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.267 -4.931 -5.327 1.00 0.00 H new ATOM 1476 N PHE A 93 10.110 -4.530 -3.156 1.00 0.00 N ATOM 1477 CA PHE A 93 9.925 -3.838 -1.884 1.00 0.00 C ATOM 1478 C PHE A 93 8.957 -4.597 -0.981 1.00 0.00 C ATOM 1479 O PHE A 93 9.242 -4.822 0.195 1.00 0.00 O ATOM 1480 CB PHE A 93 9.412 -2.414 -2.121 1.00 0.00 C ATOM 1481 CG PHE A 93 9.085 -1.673 -0.855 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.072 -1.397 0.079 1.00 0.00 C ATOM 1483 CD2 PHE A 93 7.789 -1.250 -0.599 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.773 -0.716 1.243 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.485 -0.567 0.564 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.478 -0.300 1.486 1.00 0.00 C ATOM 0 H PHE A 93 9.771 -4.016 -3.969 1.00 0.00 H new ATOM 0 HA PHE A 93 10.893 -3.790 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.164 -1.854 -2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.521 -2.457 -2.747 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.086 -1.718 -0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.009 -1.457 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.551 -0.509 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.472 -0.243 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.243 0.233 2.395 1.00 0.00 H new ATOM 1496 N THR A 94 7.815 -4.987 -1.537 1.00 0.00 N ATOM 1497 CA THR A 94 6.805 -5.713 -0.778 1.00 0.00 C ATOM 1498 C THR A 94 7.324 -7.070 -0.315 1.00 0.00 C ATOM 1499 O THR A 94 7.049 -7.497 0.806 1.00 0.00 O ATOM 1500 CB THR A 94 5.521 -5.919 -1.603 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.818 -6.641 -2.803 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.886 -4.582 -1.954 1.00 0.00 C ATOM 0 H THR A 94 7.566 -4.812 -2.511 1.00 0.00 H new ATOM 0 HA THR A 94 6.573 -5.103 0.095 1.00 0.00 H new ATOM 0 HB THR A 94 4.817 -6.493 -1.001 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.758 -6.502 -3.044 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.981 -4.751 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.634 -4.047 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.588 -3.988 -2.539 1.00 0.00 H new ATOM 1510 N THR A 95 8.075 -7.745 -1.182 1.00 0.00 N ATOM 1511 CA THR A 95 8.630 -9.055 -0.852 1.00 0.00 C ATOM 1512 C THR A 95 9.475 -8.984 0.416 1.00 0.00 C ATOM 1513 O THR A 95 9.313 -9.795 1.327 1.00 0.00 O ATOM 1514 CB THR A 95 9.493 -9.611 -2.001 1.00 0.00 C ATOM 1515 OG1 THR A 95 8.709 -9.712 -3.197 1.00 0.00 O ATOM 1516 CG2 THR A 95 10.059 -10.979 -1.645 1.00 0.00 C ATOM 0 H THR A 95 8.313 -7.408 -2.115 1.00 0.00 H new ATOM 0 HA THR A 95 7.786 -9.725 -0.690 1.00 0.00 H new ATOM 0 HB THR A 95 10.323 -8.924 -2.165 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.518 -8.814 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.664 -11.349 -2.473 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.678 -10.895 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.240 -11.673 -1.455 1.00 0.00 H new ATOM 1524 N THR A 96 10.375 -8.007 0.465 1.00 0.00 N ATOM 1525 CA THR A 96 11.246 -7.824 1.618 1.00 0.00 C ATOM 1526 C THR A 96 10.470 -7.258 2.805 1.00 0.00 C ATOM 1527 O THR A 96 10.805 -7.518 3.961 1.00 0.00 O ATOM 1528 CB THR A 96 12.419 -6.881 1.288 1.00 0.00 C ATOM 1529 OG1 THR A 96 13.125 -7.362 0.138 1.00 0.00 O ATOM 1530 CG2 THR A 96 13.378 -6.771 2.465 1.00 0.00 C ATOM 0 H THR A 96 10.519 -7.329 -0.283 1.00 0.00 H new ATOM 0 HA THR A 96 11.641 -8.806 1.880 1.00 0.00 H new ATOM 0 HB THR A 96 12.011 -5.892 1.079 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.634 -7.116 -0.674 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.197 -6.100 2.206 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.847 -6.378 3.332 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.778 -7.757 2.702 1.00 0.00 H new ATOM 1538 N LEU A 97 9.429 -6.486 2.506 1.00 0.00 N ATOM 1539 CA LEU A 97 8.599 -5.877 3.540 1.00 0.00 C ATOM 1540 C LEU A 97 7.952 -6.949 4.414 1.00 0.00 C ATOM 1541 O LEU A 97 7.817 -6.775 5.625 1.00 0.00 O ATOM 1542 CB LEU A 97 7.516 -5.000 2.902 1.00 0.00 C ATOM 1543 CG LEU A 97 7.082 -3.781 3.723 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.170 -2.886 2.899 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.380 -4.210 5.005 1.00 0.00 C ATOM 0 H LEU A 97 9.140 -6.267 1.553 1.00 0.00 H new ATOM 0 HA LEU A 97 9.237 -5.255 4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.878 -4.653 1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.639 -5.618 2.711 1.00 0.00 H new ATOM 0 HG LEU A 97 7.976 -3.219 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.870 -2.024 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.701 -2.545 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.284 -3.446 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.082 -3.327 5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.496 -4.797 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.059 -4.814 5.607 1.00 0.00 H new ATOM 1557 N GLN A 98 7.561 -8.057 3.793 1.00 0.00 N ATOM 1558 CA GLN A 98 6.921 -9.154 4.513 1.00 0.00 C ATOM 1559 C GLN A 98 7.745 -9.568 5.727 1.00 0.00 C ATOM 1560 O GLN A 98 7.197 -9.872 6.785 1.00 0.00 O ATOM 1561 CB GLN A 98 6.712 -10.354 3.587 1.00 0.00 C ATOM 1562 CG GLN A 98 5.774 -10.069 2.425 1.00 0.00 C ATOM 1563 CD GLN A 98 5.569 -11.277 1.532 1.00 0.00 C ATOM 1564 OE1 GLN A 98 6.306 -11.482 0.568 1.00 0.00 O ATOM 1565 NE2 GLN A 98 4.563 -12.082 1.850 1.00 0.00 N ATOM 0 H GLN A 98 7.676 -8.220 2.793 1.00 0.00 H new ATOM 0 HA GLN A 98 5.950 -8.803 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 98 7.678 -10.672 3.194 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.315 -11.186 4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.810 -9.741 2.813 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.175 -9.247 1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.978 -11.872 2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.375 -12.911 1.286 1.00 0.00 H new ATOM 1574 N HIS A 99 9.064 -9.577 5.569 1.00 0.00 N ATOM 1575 CA HIS A 99 9.957 -9.944 6.661 1.00 0.00 C ATOM 1576 C HIS A 99 10.162 -8.756 7.593 1.00 0.00 C ATOM 1577 O HIS A 99 10.170 -8.903 8.818 1.00 0.00 O ATOM 1578 CB HIS A 99 11.303 -10.420 6.112 1.00 0.00 C ATOM 1579 CG HIS A 99 11.197 -11.619 5.218 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.510 -12.897 5.632 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.808 -11.729 3.925 1.00 0.00 C ATOM 1582 CE1 HIS A 99 11.321 -13.740 4.633 1.00 0.00 C ATOM 1583 NE2 HIS A 99 10.895 -13.057 3.588 1.00 0.00 N ATOM 0 H HIS A 99 9.537 -9.335 4.698 1.00 0.00 H new ATOM 0 HA HIS A 99 9.502 -10.760 7.223 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.769 -9.605 5.559 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.963 -10.657 6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.489 -10.923 3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 99 11.487 -14.807 4.666 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.667 -13.452 2.676 1.00 0.00 H new ATOM 1592 N HIS A 100 10.305 -7.576 7.003 1.00 0.00 N ATOM 1593 CA HIS A 100 10.511 -6.355 7.771 1.00 0.00 C ATOM 1594 C HIS A 100 9.235 -5.949 8.498 1.00 0.00 C ATOM 1595 O HIS A 100 9.211 -4.951 9.218 1.00 0.00 O ATOM 1596 CB HIS A 100 10.980 -5.224 6.858 1.00 0.00 C ATOM 1597 CG HIS A 100 12.428 -5.316 6.490 1.00 0.00 C ATOM 1598 ND1 HIS A 100 13.319 -4.279 6.676 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.142 -6.330 5.945 1.00 0.00 C ATOM 1600 CE1 HIS A 100 14.517 -4.652 6.261 1.00 0.00 C ATOM 1601 NE2 HIS A 100 14.436 -5.891 5.815 1.00 0.00 N ATOM 0 H HIS A 100 10.282 -7.439 5.993 1.00 0.00 H new ATOM 0 HA HIS A 100 11.283 -6.549 8.515 1.00 0.00 H new ATOM 0 HB2 HIS A 100 10.381 -5.230 5.948 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.799 -4.270 7.352 1.00 0.00 H new ATOM 0 HD1 HIS A 100 13.089 -3.367 7.072 1.00 0.00 H new ATOM 0 HD2 HIS A 100 12.764 -7.302 5.665 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.410 -4.046 6.283 1.00 0.00 H new ATOM 1610 N LYS A 101 8.176 -6.728 8.301 1.00 0.00 N ATOM 1611 CA LYS A 101 6.901 -6.456 8.946 1.00 0.00 C ATOM 1612 C LYS A 101 7.028 -6.627 10.455 1.00 0.00 C ATOM 1613 O LYS A 101 6.229 -6.092 11.223 1.00 0.00 O ATOM 1614 CB LYS A 101 5.816 -7.388 8.399 1.00 0.00 C ATOM 1615 CG LYS A 101 4.425 -7.087 8.933 1.00 0.00 C ATOM 1616 CD LYS A 101 3.387 -8.048 8.375 1.00 0.00 C ATOM 1617 CE LYS A 101 3.606 -9.465 8.881 1.00 0.00 C ATOM 1618 NZ LYS A 101 3.570 -9.533 10.368 1.00 0.00 N ATOM 0 H LYS A 101 8.178 -7.552 7.700 1.00 0.00 H new ATOM 0 HA LYS A 101 6.616 -5.426 8.731 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.802 -7.315 7.312 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.075 -8.417 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.432 -7.150 10.021 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.150 -6.064 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.390 -7.711 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.431 -8.039 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.839 -10.121 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.567 -9.834 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.417 -10.517 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.474 -9.191 10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.795 -8.938 10.724 1.00 0.00 H new ATOM 1632 N ASP A 102 8.046 -7.377 10.872 1.00 0.00 N ATOM 1633 CA ASP A 102 8.286 -7.621 12.288 1.00 0.00 C ATOM 1634 C ASP A 102 8.992 -6.432 12.933 1.00 0.00 C ATOM 1635 O ASP A 102 9.177 -6.393 14.151 1.00 0.00 O ATOM 1636 CB ASP A 102 9.123 -8.887 12.473 1.00 0.00 C ATOM 1637 CG ASP A 102 8.442 -10.117 11.907 1.00 0.00 C ATOM 1638 OD1 ASP A 102 8.624 -10.394 10.702 1.00 0.00 O ATOM 1639 OD2 ASP A 102 7.727 -10.804 12.667 1.00 0.00 O ATOM 0 H ASP A 102 8.717 -7.825 10.248 1.00 0.00 H new ATOM 0 HA ASP A 102 7.321 -7.756 12.777 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.090 -8.754 11.987 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.318 -9.039 13.535 1.00 0.00 H new ATOM 1644 N GLU A 103 9.383 -5.462 12.110 1.00 0.00 N ATOM 1645 CA GLU A 103 10.071 -4.273 12.600 1.00 0.00 C ATOM 1646 C GLU A 103 9.220 -3.022 12.395 1.00 0.00 C ATOM 1647 O GLU A 103 8.861 -2.341 13.357 1.00 0.00 O ATOM 1648 CB GLU A 103 11.418 -4.107 11.893 1.00 0.00 C ATOM 1649 CG GLU A 103 12.353 -5.291 12.075 1.00 0.00 C ATOM 1650 CD GLU A 103 12.723 -5.524 13.528 1.00 0.00 C ATOM 1651 OE1 GLU A 103 13.691 -4.893 14.002 1.00 0.00 O ATOM 1652 OE2 GLU A 103 12.045 -6.338 14.189 1.00 0.00 O ATOM 0 H GLU A 103 9.235 -5.477 11.101 1.00 0.00 H new ATOM 0 HA GLU A 103 10.242 -4.402 13.669 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.243 -3.954 10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.907 -3.208 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.879 -6.188 11.676 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.261 -5.125 11.495 1.00 0.00 H new ATOM 1659 N VAL A 104 8.903 -2.724 11.138 1.00 0.00 N ATOM 1660 CA VAL A 104 8.097 -1.554 10.806 1.00 0.00 C ATOM 1661 C VAL A 104 6.745 -1.602 11.510 1.00 0.00 C ATOM 1662 O VAL A 104 6.259 -2.676 11.863 1.00 0.00 O ATOM 1663 CB VAL A 104 7.873 -1.438 9.283 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.949 -2.540 8.786 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.321 -0.067 8.924 1.00 0.00 C ATOM 0 H VAL A 104 9.193 -3.278 10.332 1.00 0.00 H new ATOM 0 HA VAL A 104 8.650 -0.679 11.149 1.00 0.00 H new ATOM 0 HB VAL A 104 8.837 -1.557 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.806 -2.437 7.710 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.393 -3.512 9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.985 -2.461 9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.170 -0.006 7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.369 0.087 9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.027 0.703 9.236 1.00 0.00 H new ATOM 1675 N ALA A 105 6.144 -0.433 11.713 1.00 0.00 N ATOM 1676 CA ALA A 105 4.847 -0.345 12.371 1.00 0.00 C ATOM 1677 C ALA A 105 3.802 -1.168 11.626 1.00 0.00 C ATOM 1678 O ALA A 105 3.362 -0.793 10.539 1.00 0.00 O ATOM 1679 CB ALA A 105 4.403 1.105 12.479 1.00 0.00 C ATOM 0 H ALA A 105 6.536 0.466 11.431 1.00 0.00 H new ATOM 0 HA ALA A 105 4.948 -0.754 13.376 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.432 1.153 12.973 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.134 1.667 13.060 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.324 1.537 11.481 1.00 0.00 H new ATOM 1685 N GLY A 106 3.413 -2.293 12.217 1.00 0.00 N ATOM 1686 CA GLY A 106 2.424 -3.157 11.599 1.00 0.00 C ATOM 1687 C GLY A 106 1.105 -2.452 11.358 1.00 0.00 C ATOM 1688 O GLY A 106 0.387 -2.775 10.414 1.00 0.00 O ATOM 0 H GLY A 106 3.766 -2.622 13.115 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.812 -3.528 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.257 -4.026 12.236 1.00 0.00 H new ATOM 1692 N ASP A 107 0.785 -1.491 12.217 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.461 -0.740 12.100 1.00 0.00 C ATOM 1694 C ASP A 107 -0.520 0.042 10.792 1.00 0.00 C ATOM 1695 O ASP A 107 -1.545 0.046 10.109 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.613 0.216 13.283 1.00 0.00 C ATOM 1697 CG ASP A 107 -0.663 -0.511 14.612 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -1.770 -0.919 15.024 1.00 0.00 O ATOM 1699 OD2 ASP A 107 0.404 -0.674 15.240 1.00 0.00 O ATOM 0 H ASP A 107 1.372 -1.213 13.004 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.283 -1.456 12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 107 0.220 0.919 13.288 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.524 0.802 13.158 1.00 0.00 H new ATOM 1704 N ILE A 108 0.581 0.702 10.444 1.00 0.00 N ATOM 1705 CA ILE A 108 0.637 1.491 9.218 1.00 0.00 C ATOM 1706 C ILE A 108 0.565 0.601 7.980 1.00 0.00 C ATOM 1707 O ILE A 108 -0.243 0.838 7.081 1.00 0.00 O ATOM 1708 CB ILE A 108 1.924 2.338 9.152 1.00 0.00 C ATOM 1709 CG1 ILE A 108 2.031 3.241 10.384 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.949 3.166 7.873 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.339 3.999 10.472 1.00 0.00 C ATOM 0 H ILE A 108 1.442 0.706 10.991 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.228 2.154 9.234 1.00 0.00 H new ATOM 0 HB ILE A 108 2.783 1.668 9.143 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.208 3.955 10.373 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.913 2.633 11.281 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.863 3.758 7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.916 2.502 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.085 3.831 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.342 4.617 11.370 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.167 3.292 10.516 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.451 4.635 9.594 1.00 0.00 H new ATOM 1723 N PHE A 109 1.401 -0.432 7.944 1.00 0.00 N ATOM 1724 CA PHE A 109 1.423 -1.346 6.809 1.00 0.00 C ATOM 1725 C PHE A 109 0.120 -2.126 6.706 1.00 0.00 C ATOM 1726 O PHE A 109 -0.288 -2.513 5.615 1.00 0.00 O ATOM 1727 CB PHE A 109 2.607 -2.312 6.897 1.00 0.00 C ATOM 1728 CG PHE A 109 2.686 -3.263 5.730 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.595 -2.792 4.427 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.841 -4.624 5.936 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.658 -3.660 3.352 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.904 -5.498 4.865 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.813 -5.016 3.574 1.00 0.00 C ATOM 0 H PHE A 109 2.068 -0.656 8.683 1.00 0.00 H new ATOM 0 HA PHE A 109 1.537 -0.741 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.532 -1.738 6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.531 -2.886 7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.473 -1.733 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.913 -5.007 6.943 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.586 -3.280 2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.024 -6.557 5.039 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.863 -5.698 2.738 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.531 -2.350 7.847 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.786 -3.099 7.879 1.00 0.00 C ATOM 1745 C ASP A 110 -2.756 -2.585 6.821 1.00 0.00 C ATOM 1746 O ASP A 110 -3.587 -3.336 6.311 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.429 -3.006 9.264 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.728 -3.783 9.352 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.679 -4.986 9.684 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.794 -3.188 9.090 1.00 0.00 O ATOM 0 H ASP A 110 -0.211 -2.024 8.759 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.559 -4.143 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.731 -3.384 10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.618 -1.960 9.504 1.00 0.00 H new ATOM 1755 N MET A 111 -2.643 -1.302 6.489 1.00 0.00 N ATOM 1756 CA MET A 111 -3.499 -0.701 5.475 1.00 0.00 C ATOM 1757 C MET A 111 -3.095 -1.201 4.092 1.00 0.00 C ATOM 1758 O MET A 111 -3.924 -1.692 3.324 1.00 0.00 O ATOM 1759 CB MET A 111 -3.396 0.825 5.531 1.00 0.00 C ATOM 1760 CG MET A 111 -4.208 1.533 4.457 1.00 0.00 C ATOM 1761 SD MET A 111 -3.869 3.302 4.383 1.00 0.00 S ATOM 1762 CE MET A 111 -2.130 3.301 3.948 1.00 0.00 C ATOM 0 H MET A 111 -1.968 -0.661 6.907 1.00 0.00 H new ATOM 0 HA MET A 111 -4.532 -0.989 5.671 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.730 1.167 6.511 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.350 1.113 5.432 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.990 1.084 3.488 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.270 1.378 4.649 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.925 4.125 3.264 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.529 3.420 4.850 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.876 2.357 3.465 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.806 -1.081 3.795 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.263 -1.513 2.513 1.00 0.00 C ATOM 1774 C LEU A 112 -1.344 -3.027 2.377 1.00 0.00 C ATOM 1775 O LEU A 112 -1.351 -3.562 1.270 1.00 0.00 O ATOM 1776 CB LEU A 112 0.189 -1.049 2.373 1.00 0.00 C ATOM 1777 CG LEU A 112 0.402 0.463 2.473 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.885 0.795 2.427 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.341 1.182 1.356 1.00 0.00 C ATOM 0 H LEU A 112 -1.113 -0.685 4.430 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.858 -1.063 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.785 -1.536 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.572 -1.391 1.411 1.00 0.00 H new ATOM 0 HG LEU A 112 0.002 0.805 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.019 1.874 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.392 0.310 3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.309 0.439 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.178 2.256 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.029 0.836 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.407 0.969 1.433 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.410 -3.710 3.514 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.481 -5.166 3.543 1.00 0.00 C ATOM 1793 C LEU A 113 -2.588 -5.675 2.626 1.00 0.00 C ATOM 1794 O LEU A 113 -2.522 -6.797 2.124 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.713 -5.655 4.973 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.634 -7.170 5.164 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.248 -7.685 4.802 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -1.984 -7.541 6.596 1.00 0.00 C ATOM 0 H LEU A 113 -1.416 -3.274 4.436 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.531 -5.561 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.977 -5.184 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.695 -5.314 5.302 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.357 -7.640 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.212 -8.765 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.033 -7.449 3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.495 -7.210 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.923 -8.623 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.283 -7.060 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.997 -7.207 6.821 1.00 0.00 H new ATOM 1810 N THR A 114 -3.609 -4.845 2.420 1.00 0.00 N ATOM 1811 CA THR A 114 -4.731 -5.208 1.562 1.00 0.00 C ATOM 1812 C THR A 114 -4.277 -5.526 0.135 1.00 0.00 C ATOM 1813 O THR A 114 -5.091 -5.890 -0.715 1.00 0.00 O ATOM 1814 CB THR A 114 -5.783 -4.084 1.515 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.196 -2.884 0.995 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.348 -3.818 2.901 1.00 0.00 C ATOM 0 H THR A 114 -3.681 -3.917 2.837 1.00 0.00 H new ATOM 0 HA THR A 114 -5.176 -6.103 1.997 1.00 0.00 H new ATOM 0 HB THR A 114 -6.596 -4.402 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.738 -2.404 1.717 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.089 -3.021 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.818 -4.724 3.282 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.542 -3.518 3.571 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.977 -5.388 -0.126 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.427 -5.670 -1.448 1.00 0.00 C ATOM 1826 C PHE A 115 -2.587 -7.149 -1.792 1.00 0.00 C ATOM 1827 O PHE A 115 -2.661 -7.517 -2.965 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.942 -5.288 -1.514 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.681 -3.822 -1.742 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -1.418 -3.104 -2.674 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.313 -3.162 -1.031 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -1.171 -1.761 -2.889 1.00 0.00 C ATOM 1833 CE2 PHE A 115 0.562 -1.819 -1.242 1.00 0.00 C ATOM 1834 CZ PHE A 115 -0.180 -1.119 -2.173 1.00 0.00 C ATOM 0 H PHE A 115 -2.287 -5.083 0.561 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.979 -5.072 -2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.461 -5.589 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.469 -5.857 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.194 -3.601 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 115 0.899 -3.705 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.753 -1.214 -3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.336 -1.318 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.015 -0.070 -2.341 1.00 0.00 H new ATOM 1844 N THR A 116 -2.638 -7.991 -0.764 1.00 0.00 N ATOM 1845 CA THR A 116 -2.786 -9.430 -0.962 1.00 0.00 C ATOM 1846 C THR A 116 -3.847 -10.016 -0.035 1.00 0.00 C ATOM 1847 O THR A 116 -4.613 -10.892 -0.434 1.00 0.00 O ATOM 1848 CB THR A 116 -1.456 -10.171 -0.727 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.010 -9.965 0.619 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.388 -9.689 -1.697 1.00 0.00 C ATOM 0 H THR A 116 -2.579 -7.703 0.213 1.00 0.00 H new ATOM 0 HA THR A 116 -3.097 -9.569 -1.997 1.00 0.00 H new ATOM 0 HB THR A 116 -1.625 -11.234 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.165 -10.441 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.542 -10.227 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.716 -9.873 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.224 -8.621 -1.556 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.884 -9.530 1.202 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.852 -10.015 2.181 1.00 0.00 C ATOM 1860 C ASP A 117 -6.268 -9.586 1.812 1.00 0.00 C ATOM 1861 O ASP A 117 -6.717 -8.501 2.184 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.499 -9.510 3.582 1.00 0.00 C ATOM 1863 CG ASP A 117 -3.292 -10.220 4.161 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -2.156 -9.879 3.767 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -3.481 -11.121 5.006 1.00 0.00 O ATOM 0 H ASP A 117 -3.258 -8.804 1.550 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.812 -11.104 2.178 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.303 -8.439 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.354 -9.652 4.243 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.964 -10.449 1.078 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.331 -10.172 0.654 1.00 0.00 C ATOM 1872 C PHE A 118 -9.247 -9.998 1.860 1.00 0.00 C ATOM 1873 O PHE A 118 -10.202 -9.221 1.821 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.843 -11.308 -0.237 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.267 -11.135 -0.686 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.574 -10.326 -1.768 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.298 -11.786 -0.027 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.882 -10.169 -2.183 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.607 -11.632 -0.438 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.900 -10.823 -1.517 1.00 0.00 C ATOM 0 H PHE A 118 -6.601 -11.349 0.764 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.334 -9.242 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.202 -11.385 -1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.755 -12.250 0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.782 -9.813 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.075 -12.421 0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -12.109 -9.535 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.401 -12.144 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.923 -10.702 -1.840 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.947 -10.725 2.932 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.739 -10.652 4.154 1.00 0.00 C ATOM 1892 C LEU A 119 -9.691 -9.251 4.751 1.00 0.00 C ATOM 1893 O LEU A 119 -10.679 -8.766 5.302 1.00 0.00 O ATOM 1894 CB LEU A 119 -9.235 -11.671 5.183 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.605 -13.135 4.910 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -11.115 -13.305 4.833 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.944 -13.632 3.633 1.00 0.00 C ATOM 0 H LEU A 119 -8.160 -11.372 2.979 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.772 -10.886 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.149 -11.595 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.626 -11.394 6.162 1.00 0.00 H new ATOM 0 HG LEU A 119 -9.235 -13.736 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -11.354 -14.351 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.564 -13.000 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.510 -12.687 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -9.221 -14.672 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.275 -13.024 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.861 -13.557 3.731 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.535 -8.603 4.634 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.356 -7.258 5.169 1.00 0.00 C ATOM 1911 C ALA A 120 -9.032 -6.215 4.284 1.00 0.00 C ATOM 1912 O ALA A 120 -9.542 -5.208 4.773 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.875 -6.945 5.320 1.00 0.00 C ATOM 0 H ALA A 120 -7.710 -8.988 4.174 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.828 -7.220 6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.755 -5.938 5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.419 -7.663 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.389 -7.009 4.347 1.00 0.00 H new ATOM 1919 N PHE A 121 -9.033 -6.467 2.978 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.638 -5.549 2.016 1.00 0.00 C ATOM 1921 C PHE A 121 -11.140 -5.411 2.259 1.00 0.00 C ATOM 1922 O PHE A 121 -11.655 -4.304 2.437 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.380 -6.053 0.592 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.510 -4.999 -0.474 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.871 -3.775 -0.346 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.261 -5.243 -1.613 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -8.980 -2.814 -1.334 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.375 -4.285 -2.603 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.733 -3.069 -2.464 1.00 0.00 C ATOM 0 H PHE A 121 -8.621 -7.301 2.560 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.184 -4.566 2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.377 -6.477 0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -10.078 -6.861 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.282 -3.570 0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.763 -6.192 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.477 -1.865 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.965 -4.487 -3.485 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.820 -2.320 -3.237 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.834 -6.545 2.277 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.275 -6.557 2.492 1.00 0.00 C ATOM 1941 C LYS A 122 -13.626 -6.014 3.874 1.00 0.00 C ATOM 1942 O LYS A 122 -14.483 -5.141 4.009 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.819 -7.979 2.335 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.336 -8.062 2.384 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.821 -9.486 2.173 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.338 -9.555 2.112 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.822 -10.946 1.900 1.00 0.00 N ATOM 0 H LYS A 122 -11.420 -7.468 2.145 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.736 -5.912 1.744 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.472 -8.389 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.404 -8.606 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.691 -7.694 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.762 -7.414 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.400 -9.881 1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.459 -10.118 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.757 -9.162 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.698 -8.918 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.861 -10.950 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.443 -11.313 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.500 -11.549 2.684 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.952 -6.533 4.896 1.00 0.00 N ATOM 1962 CA GLU A 123 -13.193 -6.103 6.269 1.00 0.00 C ATOM 1963 C GLU A 123 -12.929 -4.610 6.429 1.00 0.00 C ATOM 1964 O GLU A 123 -13.529 -3.953 7.280 1.00 0.00 O ATOM 1965 CB GLU A 123 -12.312 -6.898 7.237 1.00 0.00 C ATOM 1966 CG GLU A 123 -12.539 -6.543 8.698 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.691 -7.376 9.639 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -10.536 -6.981 9.904 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -12.181 -8.423 10.110 1.00 0.00 O ATOM 0 H GLU A 123 -12.235 -7.252 4.799 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.241 -6.293 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -12.501 -7.962 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -11.265 -6.725 6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.314 -5.487 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -13.592 -6.684 8.943 1.00 0.00 H new ATOM 1976 N MET A 124 -12.027 -4.078 5.609 1.00 0.00 N ATOM 1977 CA MET A 124 -11.690 -2.661 5.665 1.00 0.00 C ATOM 1978 C MET A 124 -12.879 -1.804 5.248 1.00 0.00 C ATOM 1979 O MET A 124 -13.218 -0.830 5.922 1.00 0.00 O ATOM 1980 CB MET A 124 -10.487 -2.360 4.769 1.00 0.00 C ATOM 1981 CG MET A 124 -10.063 -0.899 4.785 1.00 0.00 C ATOM 1982 SD MET A 124 -8.595 -0.588 3.783 1.00 0.00 S ATOM 1983 CE MET A 124 -9.185 -1.065 2.161 1.00 0.00 C ATOM 0 H MET A 124 -11.518 -4.606 4.900 1.00 0.00 H new ATOM 0 HA MET A 124 -11.432 -2.417 6.695 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.646 -2.977 5.086 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.726 -2.649 3.745 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.884 -0.283 4.420 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.868 -0.593 5.813 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.532 -0.643 1.397 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.184 -2.152 2.079 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.199 -0.691 2.018 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.511 -2.169 4.135 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.665 -1.424 3.636 1.00 0.00 C ATOM 1995 C PHE A 125 -15.850 -1.529 4.591 1.00 0.00 C ATOM 1996 O PHE A 125 -16.524 -0.535 4.863 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.067 -1.921 2.248 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.059 -1.589 1.189 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.821 -0.272 0.832 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.348 -2.592 0.554 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.890 0.038 -0.139 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.416 -2.288 -0.417 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.186 -0.970 -0.765 1.00 0.00 C ATOM 0 H PHE A 125 -13.246 -2.971 3.564 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.375 -0.376 3.567 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.207 -3.001 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.028 -1.484 1.976 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.370 0.521 1.319 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.524 -3.623 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.713 1.069 -0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.866 -3.079 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.457 -0.730 -1.525 1.00 0.00 H new ATOM 2013 N LEU A 126 -16.103 -2.734 5.095 1.00 0.00 N ATOM 2014 CA LEU A 126 -17.210 -2.954 6.019 1.00 0.00 C ATOM 2015 C LEU A 126 -17.083 -2.054 7.243 1.00 0.00 C ATOM 2016 O LEU A 126 -18.054 -1.425 7.665 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.271 -4.422 6.448 1.00 0.00 C ATOM 2018 CG LEU A 126 -18.134 -5.321 5.558 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.570 -5.387 4.146 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -18.241 -6.714 6.158 1.00 0.00 C ATOM 0 H LEU A 126 -15.559 -3.569 4.880 1.00 0.00 H new ATOM 0 HA LEU A 126 -18.135 -2.703 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.257 -4.822 6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.653 -4.471 7.468 1.00 0.00 H new ATOM 0 HG LEU A 126 -19.134 -4.890 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.200 -6.031 3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.547 -4.386 3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.558 -5.791 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.857 -7.341 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -17.246 -7.150 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.696 -6.651 7.146 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.882 -1.994 7.809 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.632 -1.157 8.978 1.00 0.00 C ATOM 2034 C ASP A 127 -15.851 0.311 8.631 1.00 0.00 C ATOM 2035 O ASP A 127 -16.388 1.080 9.433 1.00 0.00 O ATOM 2036 CB ASP A 127 -14.207 -1.368 9.493 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.896 -0.508 10.702 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -14.184 -0.949 11.835 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.363 0.607 10.517 1.00 0.00 O ATOM 0 H ASP A 127 -15.068 -2.513 7.479 1.00 0.00 H new ATOM 0 HA ASP A 127 -16.332 -1.443 9.763 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -14.069 -2.418 9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.498 -1.140 8.697 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.435 0.690 7.426 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.587 2.060 6.959 1.00 0.00 C ATOM 2046 C TYR A 128 -17.058 2.456 6.937 1.00 0.00 C ATOM 2047 O TYR A 128 -17.413 3.588 7.262 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.979 2.214 5.563 1.00 0.00 C ATOM 2049 CG TYR A 128 -15.150 3.596 4.974 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.285 4.628 5.315 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -16.176 3.869 4.078 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.439 5.893 4.781 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -16.336 5.130 3.539 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.465 6.139 3.894 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.621 7.397 3.360 1.00 0.00 O ATOM 0 H TYR A 128 -14.989 0.064 6.755 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.060 2.720 7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.916 1.979 5.612 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.437 1.485 4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.479 4.439 6.009 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.860 3.081 3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -13.759 6.685 5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -17.139 5.325 2.843 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.390 7.401 2.752 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.912 1.512 6.548 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.347 1.759 6.493 1.00 0.00 C ATOM 2067 C ARG A 129 -19.913 1.892 7.902 1.00 0.00 C ATOM 2068 O ARG A 129 -20.885 2.612 8.127 1.00 0.00 O ATOM 2069 CB ARG A 129 -20.060 0.629 5.746 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.563 0.827 5.634 1.00 0.00 C ATOM 2071 CD ARG A 129 -22.229 -0.340 4.926 1.00 0.00 C ATOM 2072 NE ARG A 129 -23.682 -0.192 4.877 1.00 0.00 N ATOM 2073 CZ ARG A 129 -24.494 -1.062 4.286 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -24.000 -2.138 3.688 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -25.803 -0.855 4.290 1.00 0.00 N ATOM 0 H ARG A 129 -17.634 0.572 6.267 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.515 2.691 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.638 0.543 4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.863 -0.314 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.991 0.941 6.630 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.770 1.749 5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -21.838 -0.420 3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.976 -1.268 5.439 1.00 0.00 H new ATOM 0 HE ARG A 129 -24.097 0.627 5.322 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -22.993 -2.300 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -24.627 -2.803 3.236 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -26.187 -0.028 4.747 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -26.426 -1.523 3.836 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.293 1.192 8.848 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.727 1.236 10.237 1.00 0.00 C ATOM 2091 C ALA A 130 -19.541 2.631 10.818 1.00 0.00 C ATOM 2092 O ALA A 130 -20.347 3.092 11.626 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.961 0.212 11.062 1.00 0.00 C ATOM 0 H ALA A 130 -18.489 0.588 8.676 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.789 0.991 10.272 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.296 0.256 12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.144 -0.786 10.664 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.894 0.432 11.016 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.470 3.301 10.398 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.178 4.649 10.872 1.00 0.00 C ATOM 2101 C GLU A 131 -19.169 5.656 10.296 1.00 0.00 C ATOM 2102 O GLU A 131 -19.320 6.762 10.818 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.750 5.045 10.496 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.694 4.098 11.042 1.00 0.00 C ATOM 2105 CD GLU A 131 -14.282 4.556 10.733 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -13.879 5.621 11.245 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -13.580 3.851 9.979 1.00 0.00 O ATOM 0 H GLU A 131 -17.792 2.932 9.731 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.275 4.655 11.958 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.666 5.083 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -16.551 6.051 10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.815 4.009 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.850 3.105 10.621 1.00 0.00 H new