USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl -157:sc= -0.216 (180deg=-1.06) USER MOD Set 1.2: A 124 MET CE :methyl 164:sc= -0.203 (180deg=-0.52) USER MOD Set 2.1: A 80 GLN : amide:sc= -0.273 K(o=-1.5,f=-2.8) USER MOD Set 2.2: A 83 GLN : amide:sc= -1.19 X(o=-1.5,f=-1.4) USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 114 THR OG1 : rot -82:sc= 0.931 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -161:sc= -0.103 (180deg=-0.549) USER MOD Single : A 38 GLN : amide:sc= -1.05 K(o=-1.1,f=-5.8!) USER MOD Single : A 41 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.005) USER MOD Single : A 43 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.8) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.204 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 114:sc= 0.069 USER MOD Single : A 58 ASN : amide:sc= -0.644 K(o=-0.64,f=-2.2!) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0406 (180deg=-0.269) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 71 SER OG : rot -9:sc= -0.113 USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= -0.0474 (180deg=-0.31) USER MOD Single : A 76 TYR OH : rot -15:sc= 0.0334 USER MOD Single : A 89 ASN : amide:sc= -5.63! K(o=-5.6!,f=0.055) USER MOD Single : A 90 MET CE :methyl 163:sc= 0 (180deg=-0.241) USER MOD Single : A 94 THR OG1 : rot -80:sc= 0.711 USER MOD Single : A 95 THR OG1 : rot 170:sc= -0.129 USER MOD Single : A 96 THR OG1 : rot 87:sc= 0.706 USER MOD Single : A 98 GLN : amide:sc= -0.188 K(o=-0.19,f=-2.8!) USER MOD Single : A 99 HIS : no HD1:sc=-0.00784 X(o=-0.0078,f=0) USER MOD Single : A 100 HIS : no HE2:sc= -0.495 X(o=-0.5,f=-0.67) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -171:sc= -1.11 (180deg=-1.33!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 167:sc= -0.033 (180deg=-0.238) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.838 2.014 6.232 1.00 0.00 N ATOM 243 CA ALA A 19 19.050 3.235 6.364 1.00 0.00 C ATOM 244 C ALA A 19 18.156 3.481 5.149 1.00 0.00 C ATOM 245 O ALA A 19 17.153 4.188 5.248 1.00 0.00 O ATOM 246 CB ALA A 19 19.964 4.429 6.595 1.00 0.00 C ATOM 0 HA ALA A 19 18.396 3.107 7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.364 5.334 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.539 4.276 7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.645 4.534 5.751 1.00 0.00 H new ATOM 252 N GLU A 20 18.520 2.904 4.005 1.00 0.00 N ATOM 253 CA GLU A 20 17.743 3.093 2.781 1.00 0.00 C ATOM 254 C GLU A 20 16.285 2.687 2.985 1.00 0.00 C ATOM 255 O GLU A 20 15.374 3.447 2.657 1.00 0.00 O ATOM 256 CB GLU A 20 18.351 2.293 1.628 1.00 0.00 C ATOM 257 CG GLU A 20 17.718 2.599 0.280 1.00 0.00 C ATOM 258 CD GLU A 20 17.858 4.056 -0.116 1.00 0.00 C ATOM 259 OE1 GLU A 20 18.868 4.400 -0.764 1.00 0.00 O ATOM 260 OE2 GLU A 20 16.957 4.852 0.223 1.00 0.00 O ATOM 0 H GLU A 20 19.340 2.307 3.900 1.00 0.00 H new ATOM 0 HA GLU A 20 17.773 4.153 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.420 2.502 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.244 1.229 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.180 1.973 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 20 16.661 2.335 0.312 1.00 0.00 H new ATOM 267 N PHE A 21 16.068 1.486 3.519 1.00 0.00 N ATOM 268 CA PHE A 21 14.715 1.002 3.780 1.00 0.00 C ATOM 269 C PHE A 21 13.925 2.024 4.594 1.00 0.00 C ATOM 270 O PHE A 21 12.759 2.295 4.304 1.00 0.00 O ATOM 271 CB PHE A 21 14.760 -0.333 4.529 1.00 0.00 C ATOM 272 CG PHE A 21 13.407 -0.955 4.736 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.820 -1.720 3.739 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.722 -0.775 5.927 1.00 0.00 C ATOM 275 CE1 PHE A 21 11.576 -2.293 3.927 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.477 -1.345 6.121 1.00 0.00 C ATOM 277 CZ PHE A 21 10.904 -2.105 5.119 1.00 0.00 C ATOM 0 H PHE A 21 16.808 0.834 3.778 1.00 0.00 H new ATOM 0 HA PHE A 21 14.217 0.855 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.389 -1.029 3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.232 -0.179 5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.341 -1.870 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.166 -0.182 6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.130 -2.887 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.953 -1.196 7.054 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.932 -2.551 5.268 1.00 0.00 H new ATOM 287 N ASP A 22 14.570 2.588 5.613 1.00 0.00 N ATOM 288 CA ASP A 22 13.931 3.583 6.469 1.00 0.00 C ATOM 289 C ASP A 22 13.531 4.816 5.665 1.00 0.00 C ATOM 290 O ASP A 22 12.483 5.416 5.909 1.00 0.00 O ATOM 291 CB ASP A 22 14.867 3.983 7.612 1.00 0.00 C ATOM 292 CG ASP A 22 15.081 2.859 8.605 1.00 0.00 C ATOM 293 OD1 ASP A 22 15.955 2.003 8.353 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.376 2.834 9.635 1.00 0.00 O ATOM 0 H ASP A 22 15.534 2.372 5.865 1.00 0.00 H new ATOM 0 HA ASP A 22 13.029 3.138 6.889 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.829 4.288 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.454 4.848 8.130 1.00 0.00 H new ATOM 299 N ALA A 23 14.371 5.190 4.706 1.00 0.00 N ATOM 300 CA ALA A 23 14.098 6.349 3.864 1.00 0.00 C ATOM 301 C ALA A 23 12.804 6.154 3.082 1.00 0.00 C ATOM 302 O ALA A 23 11.980 7.064 2.989 1.00 0.00 O ATOM 303 CB ALA A 23 15.261 6.602 2.916 1.00 0.00 C ATOM 0 H ALA A 23 15.245 4.709 4.493 1.00 0.00 H new ATOM 0 HA ALA A 23 13.980 7.221 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.042 7.470 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.167 6.788 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.409 5.729 2.280 1.00 0.00 H new ATOM 309 N VAL A 24 12.631 4.957 2.525 1.00 0.00 N ATOM 310 CA VAL A 24 11.433 4.640 1.756 1.00 0.00 C ATOM 311 C VAL A 24 10.183 4.794 2.615 1.00 0.00 C ATOM 312 O VAL A 24 9.176 5.345 2.171 1.00 0.00 O ATOM 313 CB VAL A 24 11.483 3.208 1.192 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.273 2.940 0.309 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.776 2.981 0.422 1.00 0.00 C ATOM 0 H VAL A 24 13.304 4.194 2.592 1.00 0.00 H new ATOM 0 HA VAL A 24 11.394 5.343 0.924 1.00 0.00 H new ATOM 0 HB VAL A 24 11.458 2.507 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.325 1.923 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.362 3.058 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.264 3.647 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.793 1.964 0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.836 3.688 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.627 3.128 1.088 1.00 0.00 H new ATOM 325 N VAL A 25 10.255 4.296 3.847 1.00 0.00 N ATOM 326 CA VAL A 25 9.134 4.384 4.773 1.00 0.00 C ATOM 327 C VAL A 25 8.732 5.839 4.996 1.00 0.00 C ATOM 328 O VAL A 25 7.550 6.151 5.142 1.00 0.00 O ATOM 329 CB VAL A 25 9.473 3.736 6.131 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.306 3.871 7.099 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.851 2.275 5.946 1.00 0.00 C ATOM 0 H VAL A 25 11.079 3.828 4.225 1.00 0.00 H new ATOM 0 HA VAL A 25 8.302 3.842 4.325 1.00 0.00 H new ATOM 0 HB VAL A 25 10.329 4.260 6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.567 3.407 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.086 4.927 7.258 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.429 3.376 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.087 1.835 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.016 1.737 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.721 2.204 5.294 1.00 0.00 H new ATOM 341 N GLY A 26 9.725 6.723 5.023 1.00 0.00 N ATOM 342 CA GLY A 26 9.455 8.134 5.221 1.00 0.00 C ATOM 343 C GLY A 26 8.639 8.724 4.088 1.00 0.00 C ATOM 344 O GLY A 26 7.677 9.458 4.324 1.00 0.00 O ATOM 0 H GLY A 26 10.711 6.487 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.921 8.272 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.398 8.674 5.307 1.00 0.00 H new ATOM 348 N TYR A 27 9.021 8.402 2.854 1.00 0.00 N ATOM 349 CA TYR A 27 8.312 8.901 1.682 1.00 0.00 C ATOM 350 C TYR A 27 6.859 8.438 1.701 1.00 0.00 C ATOM 351 O TYR A 27 5.955 9.174 1.306 1.00 0.00 O ATOM 352 CB TYR A 27 8.995 8.430 0.395 1.00 0.00 C ATOM 353 CG TYR A 27 10.410 8.944 0.231 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.668 10.307 0.145 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.484 8.068 0.159 1.00 0.00 C ATOM 356 CE1 TYR A 27 11.958 10.781 -0.008 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.778 8.534 0.007 1.00 0.00 C ATOM 358 CZ TYR A 27 13.008 9.891 -0.076 1.00 0.00 C ATOM 359 OH TYR A 27 14.294 10.359 -0.228 1.00 0.00 O ATOM 0 H TYR A 27 9.816 7.799 2.642 1.00 0.00 H new ATOM 0 HA TYR A 27 8.335 9.990 1.710 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.010 7.340 0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.400 8.752 -0.460 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.848 11.007 0.199 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.307 7.005 0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.142 11.843 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.603 7.839 -0.046 1.00 0.00 H new ATOM 0 HH TYR A 27 14.916 9.602 -0.257 1.00 0.00 H new ATOM 369 N LEU A 28 6.644 7.210 2.166 1.00 0.00 N ATOM 370 CA LEU A 28 5.302 6.644 2.245 1.00 0.00 C ATOM 371 C LEU A 28 4.418 7.476 3.168 1.00 0.00 C ATOM 372 O LEU A 28 3.265 7.762 2.849 1.00 0.00 O ATOM 373 CB LEU A 28 5.364 5.199 2.747 1.00 0.00 C ATOM 374 CG LEU A 28 6.073 4.213 1.817 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.202 2.853 2.485 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.323 4.089 0.498 1.00 0.00 C ATOM 0 H LEU A 28 7.383 6.588 2.494 1.00 0.00 H new ATOM 0 HA LEU A 28 4.869 6.656 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.869 5.189 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.346 4.846 2.915 1.00 0.00 H new ATOM 0 HG LEU A 28 7.073 4.593 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.709 2.163 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.780 2.952 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.210 2.468 2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.842 3.383 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.311 3.731 0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.278 5.064 0.012 1.00 0.00 H new ATOM 388 N GLU A 29 4.969 7.864 4.316 1.00 0.00 N ATOM 389 CA GLU A 29 4.234 8.666 5.287 1.00 0.00 C ATOM 390 C GLU A 29 3.815 10.003 4.685 1.00 0.00 C ATOM 391 O GLU A 29 2.719 10.499 4.951 1.00 0.00 O ATOM 392 CB GLU A 29 5.087 8.898 6.536 1.00 0.00 C ATOM 393 CG GLU A 29 5.478 7.616 7.253 1.00 0.00 C ATOM 394 CD GLU A 29 6.310 7.871 8.495 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.552 7.938 8.375 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.721 8.003 9.589 1.00 0.00 O ATOM 0 H GLU A 29 5.923 7.635 4.595 1.00 0.00 H new ATOM 0 HA GLU A 29 3.334 8.119 5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.991 9.436 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.538 9.538 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.576 7.070 7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.039 6.979 6.569 1.00 0.00 H new ATOM 403 N ASP A 30 4.694 10.582 3.873 1.00 0.00 N ATOM 404 CA ASP A 30 4.415 11.862 3.232 1.00 0.00 C ATOM 405 C ASP A 30 3.247 11.740 2.256 1.00 0.00 C ATOM 406 O ASP A 30 2.481 12.687 2.070 1.00 0.00 O ATOM 407 CB ASP A 30 5.657 12.373 2.502 1.00 0.00 C ATOM 408 CG ASP A 30 5.426 13.720 1.843 1.00 0.00 C ATOM 409 OD1 ASP A 30 4.969 13.742 0.681 1.00 0.00 O ATOM 410 OD2 ASP A 30 5.701 14.753 2.491 1.00 0.00 O ATOM 0 H ASP A 30 5.605 10.185 3.643 1.00 0.00 H new ATOM 0 HA ASP A 30 4.141 12.576 4.008 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.483 12.454 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.955 11.647 1.745 1.00 0.00 H new ATOM 415 N ILE A 31 3.118 10.570 1.637 1.00 0.00 N ATOM 416 CA ILE A 31 2.046 10.325 0.678 1.00 0.00 C ATOM 417 C ILE A 31 0.719 10.070 1.385 1.00 0.00 C ATOM 418 O ILE A 31 -0.323 10.568 0.963 1.00 0.00 O ATOM 419 CB ILE A 31 2.371 9.125 -0.233 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.683 9.370 -0.982 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.230 8.875 -1.210 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.157 8.175 -1.783 1.00 0.00 C ATOM 0 H ILE A 31 3.743 9.777 1.783 1.00 0.00 H new ATOM 0 HA ILE A 31 1.959 11.223 0.066 1.00 0.00 H new ATOM 0 HB ILE A 31 2.489 8.236 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.555 10.219 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.456 9.645 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.475 8.024 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.316 8.662 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.081 9.760 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.092 8.422 -2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.318 7.329 -1.114 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.403 7.912 -2.525 1.00 0.00 H new ATOM 434 N ILE A 32 0.763 9.288 2.459 1.00 0.00 N ATOM 435 CA ILE A 32 -0.438 8.969 3.221 1.00 0.00 C ATOM 436 C ILE A 32 -1.076 10.232 3.789 1.00 0.00 C ATOM 437 O ILE A 32 -2.297 10.313 3.928 1.00 0.00 O ATOM 438 CB ILE A 32 -0.128 7.988 4.371 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.431 6.679 3.809 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.377 7.725 5.200 1.00 0.00 C ATOM 441 CD1 ILE A 32 0.891 5.706 4.873 1.00 0.00 C ATOM 0 H ILE A 32 1.617 8.864 2.821 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.138 8.494 2.534 1.00 0.00 H new ATOM 0 HB ILE A 32 0.623 8.437 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.334 6.200 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.269 6.906 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.139 7.031 6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.737 8.663 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.150 7.292 4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.274 4.803 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.679 6.165 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.051 5.449 5.518 1.00 0.00 H new ATOM 453 N MET A 33 -0.245 11.217 4.110 1.00 0.00 N ATOM 454 CA MET A 33 -0.731 12.476 4.661 1.00 0.00 C ATOM 455 C MET A 33 -0.910 13.517 3.561 1.00 0.00 C ATOM 456 O MET A 33 -1.324 14.646 3.824 1.00 0.00 O ATOM 457 CB MET A 33 0.235 13.000 5.724 1.00 0.00 C ATOM 458 CG MET A 33 0.414 12.051 6.899 1.00 0.00 C ATOM 459 SD MET A 33 -1.123 11.758 7.798 1.00 0.00 S ATOM 460 CE MET A 33 -1.480 13.404 8.406 1.00 0.00 C ATOM 0 H MET A 33 0.768 11.168 3.998 1.00 0.00 H new ATOM 0 HA MET A 33 -1.701 12.291 5.123 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.206 13.183 5.263 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.128 13.959 6.093 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.805 11.100 6.537 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.157 12.462 7.582 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.183 13.341 9.237 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.557 13.874 8.747 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.917 14.001 7.605 1.00 0.00 H new ATOM 470 N ASP A 34 -0.591 13.131 2.329 1.00 0.00 N ATOM 471 CA ASP A 34 -0.723 14.033 1.189 1.00 0.00 C ATOM 472 C ASP A 34 -2.195 14.320 0.908 1.00 0.00 C ATOM 473 O ASP A 34 -3.023 13.409 0.897 1.00 0.00 O ATOM 474 CB ASP A 34 -0.053 13.430 -0.048 1.00 0.00 C ATOM 475 CG ASP A 34 0.095 14.435 -1.173 1.00 0.00 C ATOM 476 OD1 ASP A 34 -0.857 14.584 -1.965 1.00 0.00 O ATOM 477 OD2 ASP A 34 1.165 15.074 -1.261 1.00 0.00 O ATOM 0 H ASP A 34 -0.240 12.202 2.095 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.225 14.972 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.930 13.047 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.640 12.581 -0.398 1.00 0.00 H new ATOM 482 N ASP A 35 -2.513 15.590 0.681 1.00 0.00 N ATOM 483 CA ASP A 35 -3.888 16.003 0.413 1.00 0.00 C ATOM 484 C ASP A 35 -4.441 15.332 -0.840 1.00 0.00 C ATOM 485 O ASP A 35 -5.609 14.949 -0.882 1.00 0.00 O ATOM 486 CB ASP A 35 -3.965 17.523 0.267 1.00 0.00 C ATOM 487 CG ASP A 35 -3.133 18.037 -0.891 1.00 0.00 C ATOM 488 OD1 ASP A 35 -1.917 18.247 -0.700 1.00 0.00 O ATOM 489 OD2 ASP A 35 -3.698 18.230 -1.988 1.00 0.00 O ATOM 0 H ASP A 35 -1.837 16.353 0.677 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.498 15.690 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.004 17.819 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.625 17.991 1.191 1.00 0.00 H new ATOM 494 N GLU A 36 -3.598 15.192 -1.860 1.00 0.00 N ATOM 495 CA GLU A 36 -4.015 14.569 -3.111 1.00 0.00 C ATOM 496 C GLU A 36 -4.330 13.091 -2.905 1.00 0.00 C ATOM 497 O GLU A 36 -5.139 12.511 -3.630 1.00 0.00 O ATOM 498 CB GLU A 36 -2.928 14.731 -4.177 1.00 0.00 C ATOM 499 CG GLU A 36 -3.326 14.193 -5.541 1.00 0.00 C ATOM 500 CD GLU A 36 -2.253 14.407 -6.589 1.00 0.00 C ATOM 501 OE1 GLU A 36 -1.374 13.529 -6.727 1.00 0.00 O ATOM 502 OE2 GLU A 36 -2.289 15.452 -7.271 1.00 0.00 O ATOM 0 H GLU A 36 -2.626 15.501 -1.844 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.921 15.070 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.679 15.788 -4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.025 14.219 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.540 13.127 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.246 14.679 -5.865 1.00 0.00 H new ATOM 509 N PHE A 37 -3.685 12.486 -1.913 1.00 0.00 N ATOM 510 CA PHE A 37 -3.897 11.075 -1.613 1.00 0.00 C ATOM 511 C PHE A 37 -5.215 10.868 -0.876 1.00 0.00 C ATOM 512 O PHE A 37 -5.929 9.897 -1.126 1.00 0.00 O ATOM 513 CB PHE A 37 -2.739 10.530 -0.775 1.00 0.00 C ATOM 514 CG PHE A 37 -2.937 9.107 -0.331 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.802 8.062 -1.229 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.259 8.816 0.986 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.983 6.754 -0.825 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.440 7.509 1.397 1.00 0.00 C ATOM 519 CZ PHE A 37 -3.303 6.476 0.490 1.00 0.00 C ATOM 0 H PHE A 37 -3.012 12.951 -1.304 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.940 10.531 -2.557 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.819 10.596 -1.355 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.608 11.162 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.552 8.272 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.370 9.620 1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.874 5.949 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.688 7.295 2.426 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.446 5.454 0.808 1.00 0.00 H new ATOM 529 N GLN A 38 -5.532 11.784 0.033 1.00 0.00 N ATOM 530 CA GLN A 38 -6.765 11.698 0.805 1.00 0.00 C ATOM 531 C GLN A 38 -7.984 11.827 -0.102 1.00 0.00 C ATOM 532 O GLN A 38 -8.965 11.102 0.055 1.00 0.00 O ATOM 533 CB GLN A 38 -6.795 12.783 1.882 1.00 0.00 C ATOM 534 CG GLN A 38 -5.630 12.708 2.857 1.00 0.00 C ATOM 535 CD GLN A 38 -5.709 11.506 3.781 1.00 0.00 C ATOM 536 OE1 GLN A 38 -6.248 10.460 3.419 1.00 0.00 O ATOM 537 NE2 GLN A 38 -5.166 11.650 4.983 1.00 0.00 N ATOM 0 H GLN A 38 -4.952 12.594 0.253 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.796 10.721 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.792 13.761 1.400 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.729 12.705 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.696 12.668 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.604 13.619 3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.729 12.534 5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.185 10.876 5.647 1.00 0.00 H new ATOM 546 N LEU A 39 -7.914 12.755 -1.050 1.00 0.00 N ATOM 547 CA LEU A 39 -9.010 12.977 -1.984 1.00 0.00 C ATOM 548 C LEU A 39 -9.185 11.777 -2.911 1.00 0.00 C ATOM 549 O LEU A 39 -10.292 11.271 -3.083 1.00 0.00 O ATOM 550 CB LEU A 39 -8.761 14.249 -2.801 1.00 0.00 C ATOM 551 CG LEU A 39 -9.856 14.604 -3.811 1.00 0.00 C ATOM 552 CD1 LEU A 39 -9.987 16.113 -3.944 1.00 0.00 C ATOM 553 CD2 LEU A 39 -9.558 13.978 -5.167 1.00 0.00 C ATOM 0 H LEU A 39 -7.109 13.365 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.929 13.101 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.640 15.085 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.818 14.138 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.802 14.203 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.769 16.348 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.245 16.543 -2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.040 16.532 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.347 14.242 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.603 14.350 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.510 12.894 -5.065 1.00 0.00 H new ATOM 565 N LEU A 40 -8.082 11.327 -3.502 1.00 0.00 N ATOM 566 CA LEU A 40 -8.105 10.187 -4.414 1.00 0.00 C ATOM 567 C LEU A 40 -8.697 8.951 -3.739 1.00 0.00 C ATOM 568 O LEU A 40 -9.561 8.279 -4.301 1.00 0.00 O ATOM 569 CB LEU A 40 -6.686 9.879 -4.900 1.00 0.00 C ATOM 570 CG LEU A 40 -6.547 8.624 -5.768 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.846 8.940 -7.224 1.00 0.00 C ATOM 572 CD2 LEU A 40 -5.154 8.032 -5.623 1.00 0.00 C ATOM 0 H LEU A 40 -7.158 11.736 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.735 10.448 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.321 10.735 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.037 9.773 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.274 7.887 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.741 8.035 -7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.865 9.317 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.147 9.695 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.071 7.141 -6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.412 8.766 -5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.979 7.764 -4.581 1.00 0.00 H new ATOM 584 N GLN A 41 -8.226 8.662 -2.532 1.00 0.00 N ATOM 585 CA GLN A 41 -8.690 7.500 -1.783 1.00 0.00 C ATOM 586 C GLN A 41 -10.183 7.586 -1.474 1.00 0.00 C ATOM 587 O GLN A 41 -10.939 6.668 -1.784 1.00 0.00 O ATOM 588 CB GLN A 41 -7.898 7.360 -0.482 1.00 0.00 C ATOM 589 CG GLN A 41 -8.244 6.110 0.310 1.00 0.00 C ATOM 590 CD GLN A 41 -7.491 6.023 1.625 1.00 0.00 C ATOM 591 OE1 GLN A 41 -7.177 4.933 2.101 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.202 7.174 2.223 1.00 0.00 N ATOM 0 H GLN A 41 -7.520 9.218 -2.049 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.526 6.621 -2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.833 7.350 -0.714 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.080 8.236 0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.316 6.095 0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.019 5.230 -0.292 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.481 8.056 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.701 7.175 3.112 1.00 0.00 H new ATOM 601 N ARG A 42 -10.602 8.691 -0.865 1.00 0.00 N ATOM 602 CA ARG A 42 -12.004 8.880 -0.502 1.00 0.00 C ATOM 603 C ARG A 42 -12.909 8.889 -1.733 1.00 0.00 C ATOM 604 O ARG A 42 -14.062 8.460 -1.668 1.00 0.00 O ATOM 605 CB ARG A 42 -12.182 10.179 0.285 1.00 0.00 C ATOM 606 CG ARG A 42 -13.613 10.415 0.745 1.00 0.00 C ATOM 607 CD ARG A 42 -13.744 11.717 1.517 1.00 0.00 C ATOM 608 NE ARG A 42 -13.317 12.867 0.728 1.00 0.00 N ATOM 609 CZ ARG A 42 -13.182 14.092 1.225 1.00 0.00 C ATOM 610 NH1 ARG A 42 -13.446 14.324 2.504 1.00 0.00 N ATOM 611 NH2 ARG A 42 -12.788 15.086 0.444 1.00 0.00 N ATOM 0 H ARG A 42 -9.992 9.469 -0.612 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.296 8.037 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.527 10.160 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.864 11.017 -0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.275 10.436 -0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.936 9.585 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.781 11.853 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.147 11.660 2.427 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.110 12.723 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.753 13.561 3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.342 15.265 2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.588 14.912 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.685 16.026 0.827 1.00 0.00 H new ATOM 625 N ASN A 43 -12.384 9.381 -2.849 1.00 0.00 N ATOM 626 CA ASN A 43 -13.152 9.454 -4.088 1.00 0.00 C ATOM 627 C ASN A 43 -13.557 8.068 -4.586 1.00 0.00 C ATOM 628 O ASN A 43 -14.720 7.834 -4.912 1.00 0.00 O ATOM 629 CB ASN A 43 -12.346 10.183 -5.167 1.00 0.00 C ATOM 630 CG ASN A 43 -12.452 11.693 -5.046 1.00 0.00 C ATOM 631 OD1 ASN A 43 -12.605 12.232 -3.950 1.00 0.00 O ATOM 632 ND2 ASN A 43 -12.374 12.383 -6.179 1.00 0.00 N ATOM 0 H ASN A 43 -11.430 9.735 -2.922 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.064 10.012 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.299 9.888 -5.096 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.699 9.874 -6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.441 13.401 -6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.247 11.895 -7.066 1.00 0.00 H new ATOM 639 N PHE A 44 -12.595 7.153 -4.644 1.00 0.00 N ATOM 640 CA PHE A 44 -12.863 5.795 -5.110 1.00 0.00 C ATOM 641 C PHE A 44 -13.515 4.948 -4.020 1.00 0.00 C ATOM 642 O PHE A 44 -14.497 4.252 -4.273 1.00 0.00 O ATOM 643 CB PHE A 44 -11.573 5.131 -5.590 1.00 0.00 C ATOM 644 CG PHE A 44 -11.132 5.604 -6.946 1.00 0.00 C ATOM 645 CD1 PHE A 44 -11.593 4.979 -8.094 1.00 0.00 C ATOM 646 CD2 PHE A 44 -10.265 6.676 -7.074 1.00 0.00 C ATOM 647 CE1 PHE A 44 -11.194 5.413 -9.344 1.00 0.00 C ATOM 648 CE2 PHE A 44 -9.863 7.116 -8.321 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.328 6.483 -9.457 1.00 0.00 C ATOM 0 H PHE A 44 -11.626 7.325 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.560 5.864 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.780 5.328 -4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.717 4.051 -5.618 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -12.272 4.143 -8.011 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.898 7.174 -6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.559 4.916 -10.231 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.186 7.953 -8.407 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.015 6.824 -10.433 1.00 0.00 H new ATOM 659 N MET A 45 -12.961 5.009 -2.814 1.00 0.00 N ATOM 660 CA MET A 45 -13.486 4.245 -1.683 1.00 0.00 C ATOM 661 C MET A 45 -14.982 4.483 -1.497 1.00 0.00 C ATOM 662 O MET A 45 -15.707 3.598 -1.044 1.00 0.00 O ATOM 663 CB MET A 45 -12.741 4.616 -0.400 1.00 0.00 C ATOM 664 CG MET A 45 -11.334 4.046 -0.324 1.00 0.00 C ATOM 665 SD MET A 45 -11.320 2.248 -0.175 1.00 0.00 S ATOM 666 CE MET A 45 -12.179 2.027 1.381 1.00 0.00 C ATOM 0 H MET A 45 -12.146 5.581 -2.592 1.00 0.00 H new ATOM 0 HA MET A 45 -13.332 3.188 -1.898 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.688 5.702 -0.322 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.314 4.262 0.457 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.780 4.337 -1.216 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.815 4.482 0.530 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.908 1.064 1.813 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.898 2.825 2.068 1.00 0.00 H new ATOM 0 HE3 MET A 45 -13.255 2.058 1.210 1.00 0.00 H new ATOM 676 N ASP A 46 -15.437 5.683 -1.846 1.00 0.00 N ATOM 677 CA ASP A 46 -16.846 6.040 -1.712 1.00 0.00 C ATOM 678 C ASP A 46 -17.738 5.082 -2.497 1.00 0.00 C ATOM 679 O ASP A 46 -18.873 4.815 -2.106 1.00 0.00 O ATOM 680 CB ASP A 46 -17.073 7.475 -2.191 1.00 0.00 C ATOM 681 CG ASP A 46 -18.510 7.926 -2.014 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.836 8.456 -0.931 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.309 7.750 -2.958 1.00 0.00 O ATOM 0 H ASP A 46 -14.849 6.426 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.113 5.965 -0.658 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.414 8.147 -1.641 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.799 7.551 -3.243 1.00 0.00 H new ATOM 688 N LYS A 47 -17.216 4.569 -3.606 1.00 0.00 N ATOM 689 CA LYS A 47 -17.965 3.642 -4.450 1.00 0.00 C ATOM 690 C LYS A 47 -17.602 2.192 -4.139 1.00 0.00 C ATOM 691 O LYS A 47 -18.462 1.312 -4.138 1.00 0.00 O ATOM 692 CB LYS A 47 -17.695 3.937 -5.925 1.00 0.00 C ATOM 693 CG LYS A 47 -18.225 5.285 -6.388 1.00 0.00 C ATOM 694 CD LYS A 47 -19.743 5.339 -6.337 1.00 0.00 C ATOM 695 CE LYS A 47 -20.270 6.681 -6.821 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.754 6.756 -6.749 1.00 0.00 N ATOM 0 H LYS A 47 -16.276 4.779 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.025 3.781 -4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.620 3.899 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -18.146 3.152 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.811 6.074 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.888 5.478 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.157 4.541 -6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -20.080 5.161 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.837 7.479 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.948 6.847 -7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -22.071 7.687 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -22.169 6.011 -7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.061 6.623 -5.764 1.00 0.00 H new ATOM 710 N TYR A 48 -16.321 1.954 -3.880 1.00 0.00 N ATOM 711 CA TYR A 48 -15.832 0.613 -3.573 1.00 0.00 C ATOM 712 C TYR A 48 -16.588 -0.008 -2.403 1.00 0.00 C ATOM 713 O TYR A 48 -17.121 -1.112 -2.514 1.00 0.00 O ATOM 714 CB TYR A 48 -14.336 0.656 -3.252 1.00 0.00 C ATOM 715 CG TYR A 48 -13.439 0.608 -4.470 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.528 1.575 -5.465 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.499 -0.403 -4.621 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.705 1.534 -6.574 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.672 -0.451 -5.727 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.779 0.519 -6.701 1.00 0.00 C ATOM 721 OH TYR A 48 -10.956 0.477 -7.802 1.00 0.00 O ATOM 0 H TYR A 48 -15.599 2.675 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.001 -0.007 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.122 1.567 -2.692 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.091 -0.183 -2.601 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.252 2.371 -5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.413 -1.165 -3.861 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.786 2.293 -7.338 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.946 -1.244 -5.828 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.038 0.688 -7.532 1.00 0.00 H new ATOM 731 N TYR A 49 -16.634 0.705 -1.281 1.00 0.00 N ATOM 732 CA TYR A 49 -17.315 0.206 -0.089 1.00 0.00 C ATOM 733 C TYR A 49 -18.800 -0.035 -0.353 1.00 0.00 C ATOM 734 O TYR A 49 -19.452 -0.788 0.371 1.00 0.00 O ATOM 735 CB TYR A 49 -17.120 1.172 1.089 1.00 0.00 C ATOM 736 CG TYR A 49 -18.272 2.127 1.324 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.392 3.298 0.587 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.234 1.859 2.289 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.437 4.175 0.807 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.284 2.730 2.512 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.380 3.886 1.769 1.00 0.00 C ATOM 742 OH TYR A 49 -21.422 4.756 1.990 1.00 0.00 O ATOM 0 H TYR A 49 -16.210 1.626 -1.172 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.868 -0.753 0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.959 0.589 1.996 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.214 1.753 0.918 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.657 3.527 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.161 0.955 2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.514 5.083 0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.025 2.505 3.265 1.00 0.00 H new ATOM 0 HH TYR A 49 -21.998 4.403 2.700 1.00 0.00 H new ATOM 752 N LEU A 50 -19.332 0.603 -1.392 1.00 0.00 N ATOM 753 CA LEU A 50 -20.740 0.441 -1.744 1.00 0.00 C ATOM 754 C LEU A 50 -20.967 -0.879 -2.472 1.00 0.00 C ATOM 755 O LEU A 50 -21.942 -1.585 -2.211 1.00 0.00 O ATOM 756 CB LEU A 50 -21.219 1.605 -2.616 1.00 0.00 C ATOM 757 CG LEU A 50 -21.466 2.918 -1.870 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.824 4.024 -2.849 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.570 2.744 -0.836 1.00 0.00 C ATOM 0 H LEU A 50 -18.813 1.234 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.317 0.435 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.479 1.782 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.142 1.309 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.549 3.199 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.997 4.951 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.005 4.165 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.728 3.750 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.732 3.687 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.491 2.442 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.278 1.978 -0.117 1.00 0.00 H new ATOM 771 N GLU A 51 -20.059 -1.205 -3.386 1.00 0.00 N ATOM 772 CA GLU A 51 -20.155 -2.439 -4.156 1.00 0.00 C ATOM 773 C GLU A 51 -19.849 -3.651 -3.282 1.00 0.00 C ATOM 774 O GLU A 51 -20.352 -4.749 -3.527 1.00 0.00 O ATOM 775 CB GLU A 51 -19.194 -2.394 -5.346 1.00 0.00 C ATOM 776 CG GLU A 51 -19.424 -1.207 -6.266 1.00 0.00 C ATOM 777 CD GLU A 51 -18.455 -1.173 -7.430 1.00 0.00 C ATOM 778 OE1 GLU A 51 -17.349 -0.614 -7.269 1.00 0.00 O ATOM 779 OE2 GLU A 51 -18.801 -1.708 -8.506 1.00 0.00 O ATOM 0 H GLU A 51 -19.247 -0.630 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.176 -2.532 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.170 -2.363 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.297 -3.314 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.444 -1.241 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.330 -0.285 -5.693 1.00 0.00 H new ATOM 786 N PHE A 52 -19.025 -3.445 -2.260 1.00 0.00 N ATOM 787 CA PHE A 52 -18.655 -4.522 -1.351 1.00 0.00 C ATOM 788 C PHE A 52 -19.709 -4.704 -0.267 1.00 0.00 C ATOM 789 O PHE A 52 -19.566 -4.196 0.847 1.00 0.00 O ATOM 790 CB PHE A 52 -17.290 -4.245 -0.719 1.00 0.00 C ATOM 791 CG PHE A 52 -16.133 -4.673 -1.578 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.837 -3.999 -2.751 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.347 -5.753 -1.212 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.776 -4.394 -3.543 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.285 -6.153 -2.001 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.999 -5.472 -3.168 1.00 0.00 C ATOM 0 H PHE A 52 -18.602 -2.543 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.593 -5.444 -1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.204 -3.178 -0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.231 -4.761 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -16.442 -3.156 -3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.566 -6.288 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.554 -3.860 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.680 -6.997 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 52 -13.169 -5.782 -3.786 1.00 0.00 H new ATOM 806 N GLU A 53 -20.772 -5.425 -0.605 1.00 0.00 N ATOM 807 CA GLU A 53 -21.855 -5.681 0.338 1.00 0.00 C ATOM 808 C GLU A 53 -21.652 -7.023 1.034 1.00 0.00 C ATOM 809 O GLU A 53 -21.258 -8.005 0.405 1.00 0.00 O ATOM 810 CB GLU A 53 -23.203 -5.664 -0.387 1.00 0.00 C ATOM 811 CG GLU A 53 -24.395 -5.838 0.539 1.00 0.00 C ATOM 812 CD GLU A 53 -25.716 -5.844 -0.206 1.00 0.00 C ATOM 813 OE1 GLU A 53 -26.278 -4.751 -0.429 1.00 0.00 O ATOM 814 OE2 GLU A 53 -26.187 -6.943 -0.570 1.00 0.00 O ATOM 0 H GLU A 53 -20.907 -5.843 -1.526 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.849 -4.894 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.305 -4.721 -0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.215 -6.458 -1.133 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -24.289 -6.772 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.400 -5.033 1.274 1.00 0.00 H new ATOM 821 N ASP A 54 -21.925 -7.057 2.334 1.00 0.00 N ATOM 822 CA ASP A 54 -21.772 -8.271 3.116 1.00 0.00 C ATOM 823 C ASP A 54 -22.842 -9.295 2.746 1.00 0.00 C ATOM 824 O ASP A 54 -24.015 -9.132 3.079 1.00 0.00 O ATOM 825 CB ASP A 54 -21.850 -7.933 4.602 1.00 0.00 C ATOM 826 CG ASP A 54 -23.093 -7.139 4.955 1.00 0.00 C ATOM 827 OD1 ASP A 54 -23.069 -5.900 4.804 1.00 0.00 O ATOM 828 OD2 ASP A 54 -24.091 -7.758 5.382 1.00 0.00 O ATOM 0 H ASP A 54 -22.255 -6.252 2.867 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.799 -8.710 2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.836 -8.856 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -20.966 -7.363 4.888 1.00 0.00 H new ATOM 833 N THR A 55 -22.425 -10.349 2.051 1.00 0.00 N ATOM 834 CA THR A 55 -23.343 -11.399 1.628 1.00 0.00 C ATOM 835 C THR A 55 -22.732 -12.783 1.831 1.00 0.00 C ATOM 836 O THR A 55 -21.576 -12.908 2.234 1.00 0.00 O ATOM 837 CB THR A 55 -23.737 -11.238 0.148 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.562 -11.191 -0.670 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.555 -9.973 -0.062 1.00 0.00 C ATOM 0 H THR A 55 -21.456 -10.498 1.769 1.00 0.00 H new ATOM 0 HA THR A 55 -24.235 -11.305 2.247 1.00 0.00 H new ATOM 0 HB THR A 55 -24.345 -12.097 -0.137 1.00 0.00 H new ATOM 0 HG1 THR A 55 -22.531 -11.985 -1.244 1.00 0.00 H new ATOM 0 HG21 THR A 55 -24.821 -9.882 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.463 -10.023 0.538 1.00 0.00 H new ATOM 0 HG23 THR A 55 -23.968 -9.106 0.240 1.00 0.00 H new ATOM 847 N GLU A 56 -23.518 -13.818 1.548 1.00 0.00 N ATOM 848 CA GLU A 56 -23.057 -15.194 1.699 1.00 0.00 C ATOM 849 C GLU A 56 -22.133 -15.586 0.551 1.00 0.00 C ATOM 850 O GLU A 56 -20.956 -15.883 0.762 1.00 0.00 O ATOM 851 CB GLU A 56 -24.246 -16.153 1.758 1.00 0.00 C ATOM 852 CG GLU A 56 -25.158 -15.923 2.951 1.00 0.00 C ATOM 853 CD GLU A 56 -24.447 -16.125 4.276 1.00 0.00 C ATOM 854 OE1 GLU A 56 -24.388 -17.279 4.749 1.00 0.00 O ATOM 855 OE2 GLU A 56 -23.947 -15.127 4.839 1.00 0.00 O ATOM 0 H GLU A 56 -24.477 -13.730 1.213 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.500 -15.261 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -24.828 -16.052 0.842 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -23.874 -17.177 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.558 -14.910 2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -26.007 -16.604 2.891 1.00 0.00 H new ATOM 862 N GLU A 57 -22.674 -15.587 -0.663 1.00 0.00 N ATOM 863 CA GLU A 57 -21.901 -15.944 -1.846 1.00 0.00 C ATOM 864 C GLU A 57 -21.300 -14.703 -2.496 1.00 0.00 C ATOM 865 O GLU A 57 -21.962 -13.673 -2.624 1.00 0.00 O ATOM 866 CB GLU A 57 -22.784 -16.687 -2.851 1.00 0.00 C ATOM 867 CG GLU A 57 -22.046 -17.123 -4.106 1.00 0.00 C ATOM 868 CD GLU A 57 -20.902 -18.073 -3.810 1.00 0.00 C ATOM 869 OE1 GLU A 57 -21.150 -19.293 -3.724 1.00 0.00 O ATOM 870 OE2 GLU A 57 -19.758 -17.595 -3.663 1.00 0.00 O ATOM 0 H GLU A 57 -23.646 -15.344 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 57 -21.087 -16.599 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -23.210 -17.566 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -23.617 -16.044 -3.135 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -22.748 -17.606 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -21.659 -16.243 -4.619 1.00 0.00 H new ATOM 877 N ASN A 58 -20.040 -14.807 -2.906 1.00 0.00 N ATOM 878 CA ASN A 58 -19.349 -13.692 -3.545 1.00 0.00 C ATOM 879 C ASN A 58 -19.786 -13.538 -4.998 1.00 0.00 C ATOM 880 O ASN A 58 -20.257 -14.491 -5.620 1.00 0.00 O ATOM 881 CB ASN A 58 -17.833 -13.888 -3.469 1.00 0.00 C ATOM 882 CG ASN A 58 -17.390 -15.235 -4.006 1.00 0.00 C ATOM 883 OD1 ASN A 58 -18.017 -15.800 -4.902 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.301 -15.758 -3.456 1.00 0.00 N ATOM 0 H ASN A 58 -19.477 -15.652 -2.807 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.614 -12.781 -3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.340 -13.096 -4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.510 -13.790 -2.433 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.953 -16.663 -3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.812 -15.255 -2.716 1.00 0.00 H new ATOM 891 N LYS A 59 -19.628 -12.331 -5.528 1.00 0.00 N ATOM 892 CA LYS A 59 -20.006 -12.046 -6.907 1.00 0.00 C ATOM 893 C LYS A 59 -18.774 -11.929 -7.797 1.00 0.00 C ATOM 894 O LYS A 59 -17.649 -11.818 -7.308 1.00 0.00 O ATOM 895 CB LYS A 59 -20.819 -10.752 -6.971 1.00 0.00 C ATOM 896 CG LYS A 59 -22.071 -10.781 -6.112 1.00 0.00 C ATOM 897 CD LYS A 59 -22.803 -9.449 -6.148 1.00 0.00 C ATOM 898 CE LYS A 59 -24.044 -9.476 -5.272 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.714 -9.753 -3.848 1.00 0.00 N ATOM 0 H LYS A 59 -19.241 -11.534 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 59 -20.615 -12.873 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.189 -9.921 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.102 -10.561 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.735 -11.572 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.802 -11.022 -5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.135 -8.656 -5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.085 -9.214 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -24.560 -8.519 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -24.731 -10.238 -5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -24.537 -9.532 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.467 -10.757 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -22.908 -9.164 -3.558 1.00 0.00 H new ATOM 913 N LEU A 60 -18.995 -11.954 -9.107 1.00 0.00 N ATOM 914 CA LEU A 60 -17.905 -11.848 -10.068 1.00 0.00 C ATOM 915 C LEU A 60 -17.469 -10.396 -10.231 1.00 0.00 C ATOM 916 O LEU A 60 -16.465 -10.108 -10.882 1.00 0.00 O ATOM 917 CB LEU A 60 -18.330 -12.420 -11.424 1.00 0.00 C ATOM 918 CG LEU A 60 -18.774 -13.884 -11.403 1.00 0.00 C ATOM 919 CD1 LEU A 60 -19.285 -14.302 -12.775 1.00 0.00 C ATOM 920 CD2 LEU A 60 -17.629 -14.786 -10.964 1.00 0.00 C ATOM 0 H LEU A 60 -19.920 -12.047 -9.527 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.062 -12.425 -9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.147 -11.815 -11.816 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.497 -12.319 -12.120 1.00 0.00 H new ATOM 0 HG LEU A 60 -19.586 -13.987 -10.683 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -19.597 -15.346 -12.744 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.134 -13.677 -13.053 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.490 -14.182 -13.511 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.965 -15.823 -10.956 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.796 -14.680 -11.659 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.305 -14.502 -9.963 1.00 0.00 H new ATOM 932 N ILE A 61 -18.235 -9.484 -9.636 1.00 0.00 N ATOM 933 CA ILE A 61 -17.933 -8.059 -9.717 1.00 0.00 C ATOM 934 C ILE A 61 -16.680 -7.714 -8.914 1.00 0.00 C ATOM 935 O ILE A 61 -16.078 -6.655 -9.104 1.00 0.00 O ATOM 936 CB ILE A 61 -19.117 -7.204 -9.214 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.899 -5.729 -9.558 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.310 -7.380 -7.713 1.00 0.00 C ATOM 939 CD1 ILE A 61 -19.025 -5.426 -11.037 1.00 0.00 C ATOM 0 H ILE A 61 -19.069 -9.708 -9.093 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.755 -7.830 -10.768 1.00 0.00 H new ATOM 0 HB ILE A 61 -20.022 -7.545 -9.717 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.622 -5.126 -9.009 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.909 -5.428 -9.217 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.149 -6.769 -7.380 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.514 -8.428 -7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.405 -7.069 -7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.858 -4.362 -11.206 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -18.284 -6.002 -11.591 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.024 -5.696 -11.380 1.00 0.00 H new ATOM 951 N TYR A 62 -16.283 -8.618 -8.025 1.00 0.00 N ATOM 952 CA TYR A 62 -15.103 -8.404 -7.196 1.00 0.00 C ATOM 953 C TYR A 62 -13.822 -8.496 -8.021 1.00 0.00 C ATOM 954 O TYR A 62 -12.778 -7.986 -7.616 1.00 0.00 O ATOM 955 CB TYR A 62 -15.063 -9.418 -6.051 1.00 0.00 C ATOM 956 CG TYR A 62 -16.126 -9.187 -4.998 1.00 0.00 C ATOM 957 CD1 TYR A 62 -16.199 -7.981 -4.313 1.00 0.00 C ATOM 958 CD2 TYR A 62 -17.056 -10.172 -4.690 1.00 0.00 C ATOM 959 CE1 TYR A 62 -17.166 -7.763 -3.351 1.00 0.00 C ATOM 960 CE2 TYR A 62 -18.027 -9.962 -3.729 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.077 -8.756 -3.063 1.00 0.00 C ATOM 962 OH TYR A 62 -19.041 -8.543 -2.104 1.00 0.00 O ATOM 0 H TYR A 62 -16.760 -9.504 -7.860 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.168 -7.399 -6.779 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.182 -10.421 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.081 -9.381 -5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -15.487 -7.200 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.020 -11.118 -5.210 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.208 -6.819 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -18.742 -10.738 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.604 -9.341 -2.023 1.00 0.00 H new ATOM 972 N THR A 63 -13.905 -9.144 -9.181 1.00 0.00 N ATOM 973 CA THR A 63 -12.742 -9.297 -10.050 1.00 0.00 C ATOM 974 C THR A 63 -12.381 -7.982 -10.754 1.00 0.00 C ATOM 975 O THR A 63 -11.232 -7.546 -10.687 1.00 0.00 O ATOM 976 CB THR A 63 -12.960 -10.402 -11.103 1.00 0.00 C ATOM 977 OG1 THR A 63 -13.247 -11.647 -10.455 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.729 -10.557 -11.987 1.00 0.00 C ATOM 0 H THR A 63 -14.760 -9.569 -9.539 1.00 0.00 H new ATOM 0 HA THR A 63 -11.912 -9.586 -9.405 1.00 0.00 H new ATOM 0 HB THR A 63 -13.805 -10.115 -11.729 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.386 -12.343 -11.131 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.906 -11.342 -12.722 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.529 -9.617 -12.501 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.870 -10.823 -11.371 1.00 0.00 H new ATOM 986 N PRO A 64 -13.343 -7.326 -11.442 1.00 0.00 N ATOM 987 CA PRO A 64 -13.079 -6.059 -12.135 1.00 0.00 C ATOM 988 C PRO A 64 -12.731 -4.937 -11.163 1.00 0.00 C ATOM 989 O PRO A 64 -11.807 -4.160 -11.404 1.00 0.00 O ATOM 990 CB PRO A 64 -14.395 -5.751 -12.856 1.00 0.00 C ATOM 991 CG PRO A 64 -15.428 -6.511 -12.101 1.00 0.00 C ATOM 992 CD PRO A 64 -14.743 -7.755 -11.613 1.00 0.00 C ATOM 0 HA PRO A 64 -12.225 -6.137 -12.808 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.608 -4.682 -12.851 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.357 -6.064 -13.899 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.814 -5.924 -11.267 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.277 -6.756 -12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.172 -8.110 -10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.829 -8.570 -12.332 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.478 -4.856 -10.063 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.237 -3.829 -9.055 1.00 0.00 C ATOM 1002 C ILE A 65 -11.827 -3.948 -8.486 1.00 0.00 C ATOM 1003 O ILE A 65 -11.122 -2.950 -8.325 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.256 -3.920 -7.902 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.680 -3.736 -8.431 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.944 -2.882 -6.834 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.749 -3.972 -7.386 1.00 0.00 C ATOM 0 H ILE A 65 -14.251 -5.486 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.350 -2.864 -9.549 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.182 -4.910 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.785 -2.725 -8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.841 -4.420 -9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.673 -2.960 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.944 -3.057 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.992 -1.885 -7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.733 -3.824 -7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.671 -4.992 -7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.614 -3.270 -6.563 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.424 -5.178 -8.183 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.100 -5.438 -7.631 1.00 0.00 C ATOM 1021 C PHE A 66 -9.008 -4.973 -8.589 1.00 0.00 C ATOM 1022 O PHE A 66 -8.007 -4.395 -8.167 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.935 -6.928 -7.328 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.614 -7.276 -6.704 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.316 -6.871 -5.413 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.670 -8.005 -7.410 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.101 -7.190 -4.837 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.454 -8.325 -6.839 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.169 -7.917 -5.550 1.00 0.00 C ATOM 0 H PHE A 66 -11.997 -6.012 -8.311 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.003 -4.874 -6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.736 -7.245 -6.660 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.049 -7.492 -8.253 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.041 -6.300 -4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.888 -8.326 -8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.881 -6.871 -3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.727 -8.894 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.219 -8.166 -5.101 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.209 -5.226 -9.879 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.238 -4.832 -10.894 1.00 0.00 C ATOM 1041 C ASN A 67 -8.075 -3.315 -10.930 1.00 0.00 C ATOM 1042 O ASN A 67 -6.962 -2.804 -11.050 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.667 -5.342 -12.272 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.688 -6.857 -12.348 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.916 -7.535 -11.671 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -9.576 -7.396 -13.177 1.00 0.00 N ATOM 0 H ASN A 67 -10.034 -5.701 -10.245 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.279 -5.279 -10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.659 -4.956 -12.507 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.986 -4.953 -13.029 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.636 -8.410 -13.271 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.197 -6.796 -13.720 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.194 -2.605 -10.822 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.178 -1.146 -10.840 1.00 0.00 C ATOM 1055 C GLU A 68 -8.383 -0.594 -9.662 1.00 0.00 C ATOM 1056 O GLU A 68 -7.741 0.449 -9.769 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.606 -0.598 -10.805 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.676 0.921 -10.817 1.00 0.00 C ATOM 1059 CD GLU A 68 -12.099 1.441 -10.846 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -12.652 1.597 -11.956 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -12.661 1.692 -9.760 1.00 0.00 O ATOM 0 H GLU A 68 -10.122 -3.016 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.695 -0.826 -11.763 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.156 -0.985 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.107 -0.969 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.169 1.311 -9.934 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.138 1.299 -11.686 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.435 -1.300 -8.538 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.723 -0.883 -7.334 1.00 0.00 C ATOM 1070 C TYR A 69 -6.214 -1.021 -7.510 1.00 0.00 C ATOM 1071 O TYR A 69 -5.444 -0.157 -7.088 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.184 -1.720 -6.140 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.679 -1.214 -4.808 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.393 -0.260 -4.095 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.495 -1.692 -4.261 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.941 0.203 -2.874 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -6.036 -1.233 -3.042 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.763 -0.286 -2.351 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.311 0.173 -1.136 1.00 0.00 O ATOM 0 H TYR A 69 -8.964 -2.166 -8.435 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.950 0.167 -7.153 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.274 -1.739 -6.121 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.849 -2.748 -6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.316 0.126 -4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.924 -2.435 -4.798 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.508 0.945 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.112 -1.614 -2.632 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.468 -0.273 -0.911 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.799 -2.116 -8.137 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.384 -2.383 -8.364 1.00 0.00 C ATOM 1091 C ILE A 70 -3.812 -1.477 -9.452 1.00 0.00 C ATOM 1092 O ILE A 70 -2.624 -1.166 -9.452 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.152 -3.857 -8.753 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.844 -4.790 -7.751 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.662 -4.159 -8.831 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.362 -4.626 -6.324 1.00 0.00 C ATOM 0 H ILE A 70 -6.425 -2.835 -8.498 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.868 -2.175 -7.427 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.587 -4.029 -9.738 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.918 -4.610 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.685 -5.823 -8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.516 -5.203 -9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.200 -3.518 -9.581 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.202 -3.972 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.899 -5.320 -5.677 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.294 -4.836 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.547 -3.604 -5.993 1.00 0.00 H new ATOM 1108 N SER A 71 -4.659 -1.066 -10.386 1.00 0.00 N ATOM 1109 CA SER A 71 -4.223 -0.204 -11.478 1.00 0.00 C ATOM 1110 C SER A 71 -4.261 1.271 -11.083 1.00 0.00 C ATOM 1111 O SER A 71 -3.443 2.065 -11.546 1.00 0.00 O ATOM 1112 CB SER A 71 -5.102 -0.432 -12.707 1.00 0.00 C ATOM 1113 OG SER A 71 -6.458 -0.139 -12.424 1.00 0.00 O ATOM 0 H SER A 71 -5.648 -1.314 -10.410 1.00 0.00 H new ATOM 0 HA SER A 71 -3.190 -0.463 -11.712 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.755 0.195 -13.528 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.011 -1.467 -13.036 1.00 0.00 H new ATOM 0 HG SER A 71 -6.567 0.006 -11.461 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.217 1.635 -10.235 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.368 3.022 -9.800 1.00 0.00 C ATOM 1121 C LEU A 72 -4.543 3.332 -8.548 1.00 0.00 C ATOM 1122 O LEU A 72 -3.649 4.179 -8.577 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.854 3.322 -9.546 1.00 0.00 C ATOM 1124 CG LEU A 72 -7.209 4.773 -9.183 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.982 5.035 -7.701 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.416 5.760 -10.029 1.00 0.00 C ATOM 0 H LEU A 72 -5.899 0.991 -9.835 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.991 3.663 -10.597 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.415 3.047 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.200 2.674 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.268 4.918 -9.397 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.241 6.068 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.608 4.364 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.934 4.860 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.688 6.778 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.350 5.610 -9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.642 5.600 -11.083 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.847 2.639 -7.455 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.164 2.869 -6.182 1.00 0.00 C ATOM 1140 C VAL A 73 -2.712 2.397 -6.190 1.00 0.00 C ATOM 1141 O VAL A 73 -1.799 3.190 -5.954 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.907 2.181 -5.021 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.223 2.474 -3.693 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.362 2.623 -4.987 1.00 0.00 C ATOM 0 H VAL A 73 -5.562 1.912 -7.423 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.166 3.949 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.878 1.104 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.765 1.978 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.198 2.104 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.216 3.550 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.873 2.128 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.411 3.703 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.846 2.355 -5.926 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.499 1.112 -6.454 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.150 0.546 -6.457 1.00 0.00 C ATOM 1156 C GLU A 74 -0.204 1.354 -7.343 1.00 0.00 C ATOM 1157 O GLU A 74 0.945 1.594 -6.974 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.183 -0.914 -6.916 1.00 0.00 C ATOM 1159 CG GLU A 74 0.012 -1.733 -6.452 1.00 0.00 C ATOM 1160 CD GLU A 74 1.305 -1.323 -7.128 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.436 -1.553 -8.348 1.00 0.00 O ATOM 1162 OE2 GLU A 74 2.186 -0.769 -6.437 1.00 0.00 O ATOM 0 H GLU A 74 -3.239 0.443 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.773 0.590 -5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.096 -1.380 -6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.229 -0.941 -8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.122 -1.627 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.178 -2.788 -6.651 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.686 1.778 -8.509 1.00 0.00 N ATOM 1170 CA LYS A 75 0.139 2.557 -9.427 1.00 0.00 C ATOM 1171 C LYS A 75 0.444 3.938 -8.856 1.00 0.00 C ATOM 1172 O LYS A 75 1.538 4.466 -9.049 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.537 2.691 -10.790 1.00 0.00 C ATOM 1174 CG LYS A 75 -0.482 1.418 -11.618 1.00 0.00 C ATOM 1175 CD LYS A 75 -0.770 1.692 -13.085 1.00 0.00 C ATOM 1176 CE LYS A 75 -0.693 0.418 -13.910 1.00 0.00 C ATOM 1177 NZ LYS A 75 0.659 -0.202 -13.845 1.00 0.00 N ATOM 0 H LYS A 75 -1.634 1.597 -8.838 1.00 0.00 H new ATOM 0 HA LYS A 75 1.080 2.022 -9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.579 2.976 -10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.060 3.498 -11.346 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.503 0.961 -11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.206 0.701 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.761 2.134 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.055 2.420 -13.468 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.437 -0.293 -13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.941 0.641 -14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.748 -0.920 -14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.384 0.531 -13.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.791 -0.650 -12.916 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.529 4.523 -8.162 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.348 5.841 -7.562 1.00 0.00 C ATOM 1193 C TYR A 76 0.879 5.857 -6.651 1.00 0.00 C ATOM 1194 O TYR A 76 1.748 6.719 -6.779 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.594 6.238 -6.769 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.492 7.598 -6.112 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.809 8.755 -6.812 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.078 7.723 -4.791 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.717 9.998 -6.214 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -0.984 8.962 -4.187 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.305 10.096 -4.902 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.213 11.331 -4.304 1.00 0.00 O ATOM 0 H TYR A 76 -1.447 4.107 -8.002 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.193 6.563 -8.364 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.456 6.231 -7.436 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.779 5.487 -6.001 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.133 8.682 -7.840 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.826 6.837 -4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.967 10.888 -6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.661 9.042 -3.160 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.239 12.030 -4.991 1.00 0.00 H new ATOM 1212 N ILE A 77 0.942 4.896 -5.733 1.00 0.00 N ATOM 1213 CA ILE A 77 2.058 4.797 -4.797 1.00 0.00 C ATOM 1214 C ILE A 77 3.373 4.542 -5.527 1.00 0.00 C ATOM 1215 O ILE A 77 4.407 5.116 -5.183 1.00 0.00 O ATOM 1216 CB ILE A 77 1.837 3.661 -3.780 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.459 3.783 -3.127 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.935 3.673 -2.723 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.103 2.609 -2.240 1.00 0.00 C ATOM 0 H ILE A 77 0.232 4.173 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 77 2.110 5.751 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 77 1.880 2.710 -4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.426 4.698 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.296 3.881 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.765 2.865 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.904 3.536 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.923 4.627 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.887 2.764 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.103 1.693 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.836 2.523 -1.438 1.00 0.00 H new ATOM 1231 N GLU A 78 3.325 3.676 -6.533 1.00 0.00 N ATOM 1232 CA GLU A 78 4.512 3.326 -7.305 1.00 0.00 C ATOM 1233 C GLU A 78 5.116 4.550 -7.993 1.00 0.00 C ATOM 1234 O GLU A 78 6.310 4.812 -7.870 1.00 0.00 O ATOM 1235 CB GLU A 78 4.158 2.265 -8.349 1.00 0.00 C ATOM 1236 CG GLU A 78 5.350 1.783 -9.159 1.00 0.00 C ATOM 1237 CD GLU A 78 4.964 0.757 -10.208 1.00 0.00 C ATOM 1238 OE1 GLU A 78 4.877 -0.441 -9.862 1.00 0.00 O ATOM 1239 OE2 GLU A 78 4.748 1.151 -11.372 1.00 0.00 O ATOM 0 H GLU A 78 2.474 3.202 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 78 5.256 2.929 -6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.702 1.412 -7.847 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.409 2.672 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.823 2.636 -9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.090 1.349 -8.487 1.00 0.00 H new ATOM 1246 N GLU A 79 4.285 5.299 -8.707 1.00 0.00 N ATOM 1247 CA GLU A 79 4.742 6.489 -9.420 1.00 0.00 C ATOM 1248 C GLU A 79 5.326 7.526 -8.463 1.00 0.00 C ATOM 1249 O GLU A 79 6.410 8.061 -8.698 1.00 0.00 O ATOM 1250 CB GLU A 79 3.588 7.106 -10.214 1.00 0.00 C ATOM 1251 CG GLU A 79 3.064 6.206 -11.321 1.00 0.00 C ATOM 1252 CD GLU A 79 1.941 6.848 -12.114 1.00 0.00 C ATOM 1253 OE1 GLU A 79 2.241 7.654 -13.020 1.00 0.00 O ATOM 1254 OE2 GLU A 79 0.763 6.544 -11.830 1.00 0.00 O ATOM 0 H GLU A 79 3.289 5.104 -8.809 1.00 0.00 H new ATOM 0 HA GLU A 79 5.530 6.181 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.772 7.341 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.920 8.048 -10.649 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.882 5.953 -11.996 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.709 5.272 -10.887 1.00 0.00 H new ATOM 1261 N GLN A 80 4.601 7.802 -7.386 1.00 0.00 N ATOM 1262 CA GLN A 80 5.032 8.787 -6.398 1.00 0.00 C ATOM 1263 C GLN A 80 6.377 8.422 -5.768 1.00 0.00 C ATOM 1264 O GLN A 80 7.164 9.304 -5.425 1.00 0.00 O ATOM 1265 CB GLN A 80 3.976 8.929 -5.301 1.00 0.00 C ATOM 1266 CG GLN A 80 2.660 9.519 -5.786 1.00 0.00 C ATOM 1267 CD GLN A 80 2.808 10.940 -6.295 1.00 0.00 C ATOM 1268 OE1 GLN A 80 3.040 11.166 -7.481 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.675 11.907 -5.394 1.00 0.00 N ATOM 0 H GLN A 80 3.709 7.357 -7.173 1.00 0.00 H new ATOM 0 HA GLN A 80 5.155 9.735 -6.921 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.785 7.948 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.374 9.559 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.257 8.893 -6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.937 9.503 -4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.483 11.674 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.765 12.883 -5.676 1.00 0.00 H new ATOM 1278 N LEU A 81 6.638 7.126 -5.617 1.00 0.00 N ATOM 1279 CA LEU A 81 7.883 6.669 -5.005 1.00 0.00 C ATOM 1280 C LEU A 81 9.046 6.743 -5.985 1.00 0.00 C ATOM 1281 O LEU A 81 10.172 7.068 -5.608 1.00 0.00 O ATOM 1282 CB LEU A 81 7.730 5.234 -4.492 1.00 0.00 C ATOM 1283 CG LEU A 81 6.865 5.078 -3.240 1.00 0.00 C ATOM 1284 CD1 LEU A 81 6.646 3.606 -2.925 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.509 5.788 -2.057 1.00 0.00 C ATOM 0 H LEU A 81 6.009 6.378 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 81 8.100 7.332 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.302 4.624 -5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.721 4.833 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 81 5.895 5.537 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.029 3.513 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.144 3.125 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.608 3.124 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.881 5.667 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.492 5.357 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.616 6.849 -2.284 1.00 0.00 H new ATOM 1297 N LEU A 82 8.762 6.445 -7.244 1.00 0.00 N ATOM 1298 CA LEU A 82 9.783 6.449 -8.283 1.00 0.00 C ATOM 1299 C LEU A 82 10.248 7.863 -8.604 1.00 0.00 C ATOM 1300 O LEU A 82 11.359 8.060 -9.097 1.00 0.00 O ATOM 1301 CB LEU A 82 9.245 5.771 -9.546 1.00 0.00 C ATOM 1302 CG LEU A 82 8.996 4.255 -9.452 1.00 0.00 C ATOM 1303 CD1 LEU A 82 10.005 3.502 -10.305 1.00 0.00 C ATOM 1304 CD2 LEU A 82 9.063 3.751 -8.017 1.00 0.00 C ATOM 0 H LEU A 82 7.829 6.196 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 82 10.643 5.893 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.308 6.255 -9.822 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.949 5.953 -10.358 1.00 0.00 H new ATOM 0 HG LEU A 82 7.988 4.071 -9.824 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.818 2.431 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.908 3.815 -11.345 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.013 3.720 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.881 2.676 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.050 3.959 -7.604 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.306 4.257 -7.418 1.00 0.00 H new ATOM 1316 N GLN A 83 9.397 8.844 -8.324 1.00 0.00 N ATOM 1317 CA GLN A 83 9.736 10.238 -8.582 1.00 0.00 C ATOM 1318 C GLN A 83 10.990 10.643 -7.815 1.00 0.00 C ATOM 1319 O GLN A 83 11.633 11.640 -8.142 1.00 0.00 O ATOM 1320 CB GLN A 83 8.569 11.151 -8.203 1.00 0.00 C ATOM 1321 CG GLN A 83 7.412 11.093 -9.186 1.00 0.00 C ATOM 1322 CD GLN A 83 6.259 11.999 -8.796 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.100 11.706 -9.092 1.00 0.00 O ATOM 1324 NE2 GLN A 83 6.569 13.108 -8.135 1.00 0.00 N ATOM 0 H GLN A 83 8.471 8.700 -7.920 1.00 0.00 H new ATOM 0 HA GLN A 83 9.935 10.346 -9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.208 10.874 -7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.928 12.178 -8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.769 11.374 -10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.053 10.066 -9.256 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.543 13.312 -7.910 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.833 13.756 -7.852 1.00 0.00 H new ATOM 1333 N ARG A 84 11.331 9.862 -6.793 1.00 0.00 N ATOM 1334 CA ARG A 84 12.510 10.138 -5.980 1.00 0.00 C ATOM 1335 C ARG A 84 13.532 9.009 -6.091 1.00 0.00 C ATOM 1336 O ARG A 84 14.697 9.178 -5.732 1.00 0.00 O ATOM 1337 CB ARG A 84 12.110 10.332 -4.514 1.00 0.00 C ATOM 1338 CG ARG A 84 11.250 11.562 -4.270 1.00 0.00 C ATOM 1339 CD ARG A 84 12.036 12.844 -4.498 1.00 0.00 C ATOM 1340 NE ARG A 84 11.238 14.034 -4.214 1.00 0.00 N ATOM 1341 CZ ARG A 84 11.743 15.263 -4.159 1.00 0.00 C ATOM 1342 NH1 ARG A 84 13.040 15.460 -4.359 1.00 0.00 N ATOM 1343 NH2 ARG A 84 10.950 16.295 -3.904 1.00 0.00 N ATOM 0 H ARG A 84 10.807 9.034 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 84 12.967 11.054 -6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.569 9.449 -4.175 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.013 10.405 -3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.386 11.541 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.869 11.544 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.923 12.843 -3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.382 12.878 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 84 10.238 13.916 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.652 14.668 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.425 16.404 -4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.953 16.146 -3.750 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.337 17.238 -3.862 1.00 0.00 H new ATOM 1357 N ILE A 85 13.088 7.858 -6.591 1.00 0.00 N ATOM 1358 CA ILE A 85 13.966 6.703 -6.742 1.00 0.00 C ATOM 1359 C ILE A 85 13.764 6.029 -8.101 1.00 0.00 C ATOM 1360 O ILE A 85 12.817 5.262 -8.280 1.00 0.00 O ATOM 1361 CB ILE A 85 13.722 5.665 -5.626 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.721 6.346 -4.255 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.781 4.573 -5.678 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.231 5.458 -3.132 1.00 0.00 C ATOM 0 H ILE A 85 12.128 7.702 -6.897 1.00 0.00 H new ATOM 0 HA ILE A 85 14.989 7.071 -6.671 1.00 0.00 H new ATOM 0 HB ILE A 85 12.746 5.207 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.732 6.681 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.093 7.236 -4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.596 3.848 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.739 4.071 -6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.767 5.016 -5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.259 6.010 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.208 5.143 -3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 85 13.872 4.580 -3.056 1.00 0.00 H new ATOM 1376 N PRO A 86 14.647 6.307 -9.082 1.00 0.00 N ATOM 1377 CA PRO A 86 14.546 5.716 -10.419 1.00 0.00 C ATOM 1378 C PRO A 86 14.994 4.260 -10.441 1.00 0.00 C ATOM 1379 O PRO A 86 14.837 3.563 -11.445 1.00 0.00 O ATOM 1380 CB PRO A 86 15.487 6.579 -11.257 1.00 0.00 C ATOM 1381 CG PRO A 86 16.513 7.062 -10.291 1.00 0.00 C ATOM 1382 CD PRO A 86 15.809 7.214 -8.968 1.00 0.00 C ATOM 0 HA PRO A 86 13.519 5.703 -10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.941 6.003 -12.063 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.956 7.411 -11.720 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.338 6.354 -10.213 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.938 8.012 -10.617 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.455 6.934 -8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.497 8.244 -8.797 1.00 0.00 H new ATOM 1390 N GLU A 87 15.553 3.811 -9.326 1.00 0.00 N ATOM 1391 CA GLU A 87 16.026 2.437 -9.198 1.00 0.00 C ATOM 1392 C GLU A 87 15.190 1.680 -8.172 1.00 0.00 C ATOM 1393 O GLU A 87 15.589 0.620 -7.688 1.00 0.00 O ATOM 1394 CB GLU A 87 17.499 2.420 -8.787 1.00 0.00 C ATOM 1395 CG GLU A 87 17.783 3.204 -7.518 1.00 0.00 C ATOM 1396 CD GLU A 87 19.233 3.106 -7.083 1.00 0.00 C ATOM 1397 OE1 GLU A 87 20.085 3.784 -7.697 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.516 2.351 -6.130 1.00 0.00 O ATOM 0 H GLU A 87 15.691 4.381 -8.492 1.00 0.00 H new ATOM 0 HA GLU A 87 15.923 1.945 -10.165 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.816 1.387 -8.645 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.099 2.829 -9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.525 4.251 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.142 2.836 -6.717 1.00 0.00 H new ATOM 1405 N PHE A 88 14.024 2.232 -7.854 1.00 0.00 N ATOM 1406 CA PHE A 88 13.122 1.625 -6.879 1.00 0.00 C ATOM 1407 C PHE A 88 12.637 0.255 -7.340 1.00 0.00 C ATOM 1408 O PHE A 88 12.489 0.005 -8.537 1.00 0.00 O ATOM 1409 CB PHE A 88 11.918 2.533 -6.633 1.00 0.00 C ATOM 1410 CG PHE A 88 11.164 2.199 -5.377 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.721 2.446 -4.132 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.897 1.639 -5.441 1.00 0.00 C ATOM 1413 CE1 PHE A 88 11.030 2.139 -2.975 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.202 1.330 -4.288 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.769 1.580 -3.054 1.00 0.00 C ATOM 0 H PHE A 88 13.679 3.103 -8.259 1.00 0.00 H new ATOM 0 HA PHE A 88 13.682 1.497 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.258 3.567 -6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.240 2.464 -7.484 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.706 2.883 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.448 1.442 -6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.475 2.336 -2.011 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.216 0.893 -4.352 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.227 1.339 -2.151 1.00 0.00 H new ATOM 1425 N ASN A 89 12.395 -0.626 -6.375 1.00 0.00 N ATOM 1426 CA ASN A 89 11.908 -1.971 -6.659 1.00 0.00 C ATOM 1427 C ASN A 89 10.700 -2.278 -5.779 1.00 0.00 C ATOM 1428 O ASN A 89 10.834 -2.886 -4.716 1.00 0.00 O ATOM 1429 CB ASN A 89 13.015 -3.002 -6.421 1.00 0.00 C ATOM 1430 CG ASN A 89 12.765 -4.315 -7.142 1.00 0.00 C ATOM 1431 OD1 ASN A 89 13.706 -5.011 -7.523 1.00 0.00 O ATOM 1432 ND2 ASN A 89 11.497 -4.664 -7.333 1.00 0.00 N ATOM 0 H ASN A 89 12.529 -0.431 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 89 11.609 -2.025 -7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.968 -2.588 -6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.104 -3.192 -5.351 1.00 0.00 H new ATOM 0 HD21 ASN A 89 11.275 -5.537 -7.811 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.746 -4.059 -7.002 1.00 0.00 H new ATOM 1439 N MET A 90 9.525 -1.843 -6.224 1.00 0.00 N ATOM 1440 CA MET A 90 8.288 -2.054 -5.476 1.00 0.00 C ATOM 1441 C MET A 90 8.034 -3.537 -5.223 1.00 0.00 C ATOM 1442 O MET A 90 7.481 -3.911 -4.189 1.00 0.00 O ATOM 1443 CB MET A 90 7.104 -1.446 -6.232 1.00 0.00 C ATOM 1444 CG MET A 90 5.810 -1.441 -5.434 1.00 0.00 C ATOM 1445 SD MET A 90 5.912 -0.413 -3.955 1.00 0.00 S ATOM 1446 CE MET A 90 4.254 -0.588 -3.297 1.00 0.00 C ATOM 0 H MET A 90 9.402 -1.340 -7.103 1.00 0.00 H new ATOM 0 HA MET A 90 8.395 -1.559 -4.511 1.00 0.00 H new ATOM 0 HB2 MET A 90 7.351 -0.423 -6.514 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.949 -2.003 -7.156 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.999 -1.082 -6.067 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.561 -2.462 -5.146 1.00 0.00 H new ATOM 0 HE1 MET A 90 4.241 -0.273 -2.254 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.567 0.033 -3.872 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.944 -1.631 -3.364 1.00 0.00 H new ATOM 1456 N ALA A 91 8.435 -4.375 -6.171 1.00 0.00 N ATOM 1457 CA ALA A 91 8.244 -5.816 -6.050 1.00 0.00 C ATOM 1458 C ALA A 91 9.037 -6.385 -4.877 1.00 0.00 C ATOM 1459 O ALA A 91 8.473 -7.024 -3.987 1.00 0.00 O ATOM 1460 CB ALA A 91 8.640 -6.508 -7.345 1.00 0.00 C ATOM 0 H ALA A 91 8.895 -4.082 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 91 7.187 -6.002 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.493 -7.583 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.022 -6.133 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.689 -6.304 -7.561 1.00 0.00 H new ATOM 1466 N ALA A 92 10.344 -6.148 -4.881 1.00 0.00 N ATOM 1467 CA ALA A 92 11.217 -6.641 -3.822 1.00 0.00 C ATOM 1468 C ALA A 92 10.959 -5.915 -2.504 1.00 0.00 C ATOM 1469 O ALA A 92 11.218 -6.454 -1.427 1.00 0.00 O ATOM 1470 CB ALA A 92 12.675 -6.493 -4.230 1.00 0.00 C ATOM 0 H ALA A 92 10.823 -5.616 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 92 10.996 -7.697 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.316 -6.865 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.859 -7.066 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.897 -5.442 -4.414 1.00 0.00 H new ATOM 1476 N PHE A 93 10.449 -4.691 -2.595 1.00 0.00 N ATOM 1477 CA PHE A 93 10.163 -3.891 -1.408 1.00 0.00 C ATOM 1478 C PHE A 93 8.974 -4.457 -0.637 1.00 0.00 C ATOM 1479 O PHE A 93 9.048 -4.655 0.575 1.00 0.00 O ATOM 1480 CB PHE A 93 9.893 -2.436 -1.799 1.00 0.00 C ATOM 1481 CG PHE A 93 9.475 -1.567 -0.646 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.383 -1.216 0.341 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.173 -1.103 -0.548 1.00 0.00 C ATOM 1484 CE1 PHE A 93 9.999 -0.420 1.403 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.784 -0.306 0.511 1.00 0.00 C ATOM 1486 CZ PHE A 93 8.699 0.036 1.488 1.00 0.00 C ATOM 0 H PHE A 93 10.225 -4.231 -3.478 1.00 0.00 H new ATOM 0 HA PHE A 93 11.038 -3.927 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.793 -2.018 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.114 -2.413 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.402 -1.569 0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.454 -1.368 -1.309 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.716 -0.155 2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 93 6.766 0.049 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.398 0.659 2.317 1.00 0.00 H new ATOM 1496 N THR A 94 7.879 -4.714 -1.346 1.00 0.00 N ATOM 1497 CA THR A 94 6.675 -5.255 -0.725 1.00 0.00 C ATOM 1498 C THR A 94 6.935 -6.627 -0.111 1.00 0.00 C ATOM 1499 O THR A 94 6.551 -6.888 1.030 1.00 0.00 O ATOM 1500 CB THR A 94 5.520 -5.367 -1.736 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.970 -6.028 -2.925 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.968 -3.993 -2.087 1.00 0.00 C ATOM 0 H THR A 94 7.801 -4.556 -2.351 1.00 0.00 H new ATOM 0 HA THR A 94 6.391 -4.558 0.063 1.00 0.00 H new ATOM 0 HB THR A 94 4.722 -5.952 -1.277 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.453 -5.390 -3.491 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.153 -4.100 -2.803 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.596 -3.509 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.759 -3.384 -2.526 1.00 0.00 H new ATOM 1510 N THR A 95 7.588 -7.501 -0.874 1.00 0.00 N ATOM 1511 CA THR A 95 7.897 -8.847 -0.405 1.00 0.00 C ATOM 1512 C THR A 95 8.689 -8.808 0.898 1.00 0.00 C ATOM 1513 O THR A 95 8.355 -9.500 1.860 1.00 0.00 O ATOM 1514 CB THR A 95 8.695 -9.638 -1.455 1.00 0.00 C ATOM 1515 OG1 THR A 95 9.856 -8.897 -1.851 1.00 0.00 O ATOM 1516 CG2 THR A 95 7.836 -9.936 -2.674 1.00 0.00 C ATOM 0 H THR A 95 7.913 -7.300 -1.820 1.00 0.00 H new ATOM 0 HA THR A 95 6.944 -9.348 -0.232 1.00 0.00 H new ATOM 0 HB THR A 95 9.004 -10.583 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.440 -9.468 -2.393 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.421 -10.496 -3.403 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.970 -10.526 -2.373 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.500 -9.000 -3.120 1.00 0.00 H new ATOM 1524 N THR A 96 9.740 -7.997 0.919 1.00 0.00 N ATOM 1525 CA THR A 96 10.579 -7.859 2.103 1.00 0.00 C ATOM 1526 C THR A 96 9.819 -7.160 3.228 1.00 0.00 C ATOM 1527 O THR A 96 10.071 -7.407 4.409 1.00 0.00 O ATOM 1528 CB THR A 96 11.865 -7.070 1.789 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.598 -7.725 0.746 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.745 -6.942 3.024 1.00 0.00 C ATOM 0 H THR A 96 10.032 -7.424 0.127 1.00 0.00 H new ATOM 0 HA THR A 96 10.853 -8.864 2.424 1.00 0.00 H new ATOM 0 HB THR A 96 11.577 -6.070 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.269 -7.421 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.645 -6.381 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.198 -6.418 3.808 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.023 -7.935 3.377 1.00 0.00 H new ATOM 1538 N LEU A 97 8.884 -6.291 2.854 1.00 0.00 N ATOM 1539 CA LEU A 97 8.083 -5.556 3.826 1.00 0.00 C ATOM 1540 C LEU A 97 7.285 -6.514 4.704 1.00 0.00 C ATOM 1541 O LEU A 97 7.107 -6.274 5.898 1.00 0.00 O ATOM 1542 CB LEU A 97 7.134 -4.586 3.118 1.00 0.00 C ATOM 1543 CG LEU A 97 7.050 -3.187 3.736 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.147 -2.289 2.906 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.549 -3.263 5.171 1.00 0.00 C ATOM 0 H LEU A 97 8.663 -6.079 1.881 1.00 0.00 H new ATOM 0 HA LEU A 97 8.763 -4.986 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.449 -4.488 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.135 -5.022 3.109 1.00 0.00 H new ATOM 0 HG LEU A 97 8.052 -2.757 3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.100 -1.300 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.547 -2.205 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.146 -2.718 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.497 -2.259 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.557 -3.715 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.234 -3.869 5.764 1.00 0.00 H new ATOM 1557 N GLN A 98 6.806 -7.599 4.100 1.00 0.00 N ATOM 1558 CA GLN A 98 6.022 -8.598 4.820 1.00 0.00 C ATOM 1559 C GLN A 98 6.740 -9.047 6.088 1.00 0.00 C ATOM 1560 O GLN A 98 6.122 -9.203 7.140 1.00 0.00 O ATOM 1561 CB GLN A 98 5.750 -9.806 3.922 1.00 0.00 C ATOM 1562 CG GLN A 98 4.949 -9.469 2.675 1.00 0.00 C ATOM 1563 CD GLN A 98 4.725 -10.675 1.782 1.00 0.00 C ATOM 1564 OE1 GLN A 98 5.527 -10.962 0.894 1.00 0.00 O ATOM 1565 NE2 GLN A 98 3.631 -11.390 2.017 1.00 0.00 N ATOM 0 H GLN A 98 6.948 -7.809 3.112 1.00 0.00 H new ATOM 0 HA GLN A 98 5.074 -8.141 5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.701 -10.248 3.624 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.213 -10.561 4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.984 -9.054 2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 98 5.470 -8.696 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.993 -11.116 2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.429 -12.214 1.450 1.00 0.00 H new ATOM 1574 N HIS A 99 8.047 -9.255 5.980 1.00 0.00 N ATOM 1575 CA HIS A 99 8.848 -9.674 7.121 1.00 0.00 C ATOM 1576 C HIS A 99 9.135 -8.484 8.029 1.00 0.00 C ATOM 1577 O HIS A 99 9.065 -8.587 9.255 1.00 0.00 O ATOM 1578 CB HIS A 99 10.160 -10.300 6.646 1.00 0.00 C ATOM 1579 CG HIS A 99 9.970 -11.411 5.661 1.00 0.00 C ATOM 1580 ND1 HIS A 99 9.954 -12.742 6.020 1.00 0.00 N ATOM 1581 CD2 HIS A 99 9.790 -11.384 4.319 1.00 0.00 C ATOM 1582 CE1 HIS A 99 9.773 -13.484 4.942 1.00 0.00 C ATOM 1583 NE2 HIS A 99 9.670 -12.684 3.898 1.00 0.00 N ATOM 0 H HIS A 99 8.573 -9.140 5.114 1.00 0.00 H new ATOM 0 HA HIS A 99 8.287 -10.419 7.685 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.780 -9.526 6.193 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.705 -10.680 7.510 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.749 -10.503 3.696 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.719 -14.562 4.919 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.525 -12.984 2.934 1.00 0.00 H new ATOM 1592 N HIS A 100 9.439 -7.346 7.411 1.00 0.00 N ATOM 1593 CA HIS A 100 9.738 -6.129 8.154 1.00 0.00 C ATOM 1594 C HIS A 100 8.484 -5.591 8.831 1.00 0.00 C ATOM 1595 O HIS A 100 8.530 -4.579 9.529 1.00 0.00 O ATOM 1596 CB HIS A 100 10.332 -5.068 7.228 1.00 0.00 C ATOM 1597 CG HIS A 100 11.757 -5.333 6.849 1.00 0.00 C ATOM 1598 ND1 HIS A 100 12.737 -4.363 6.883 1.00 0.00 N ATOM 1599 CD2 HIS A 100 12.366 -6.465 6.426 1.00 0.00 C ATOM 1600 CE1 HIS A 100 13.886 -4.887 6.495 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.688 -6.160 6.213 1.00 0.00 N ATOM 0 H HIS A 100 9.484 -7.243 6.397 1.00 0.00 H new ATOM 0 HA HIS A 100 10.471 -6.372 8.923 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.729 -5.009 6.322 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.269 -4.095 7.716 1.00 0.00 H new ATOM 0 HD1 HIS A 100 12.597 -3.393 7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.899 -7.428 6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.827 -4.362 6.421 1.00 0.00 H new ATOM 1610 N LYS A 101 7.365 -6.273 8.613 1.00 0.00 N ATOM 1611 CA LYS A 101 6.097 -5.874 9.207 1.00 0.00 C ATOM 1612 C LYS A 101 6.181 -5.942 10.727 1.00 0.00 C ATOM 1613 O LYS A 101 5.432 -5.267 11.432 1.00 0.00 O ATOM 1614 CB LYS A 101 4.971 -6.782 8.707 1.00 0.00 C ATOM 1615 CG LYS A 101 3.577 -6.270 9.035 1.00 0.00 C ATOM 1616 CD LYS A 101 2.513 -7.335 8.795 1.00 0.00 C ATOM 1617 CE LYS A 101 2.515 -7.830 7.357 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.469 -8.866 7.127 1.00 0.00 N ATOM 0 H LYS A 101 7.312 -7.107 8.028 1.00 0.00 H new ATOM 0 HA LYS A 101 5.883 -4.847 8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.061 -6.895 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 101 5.096 -7.773 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.543 -5.950 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.359 -5.394 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.683 -8.176 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.531 -6.927 9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.349 -6.990 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.495 -8.243 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.502 -9.178 6.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.642 -9.679 7.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.532 -8.465 7.333 1.00 0.00 H new ATOM 1632 N ASP A 102 7.101 -6.764 11.223 1.00 0.00 N ATOM 1633 CA ASP A 102 7.288 -6.925 12.659 1.00 0.00 C ATOM 1634 C ASP A 102 8.059 -5.744 13.243 1.00 0.00 C ATOM 1635 O ASP A 102 8.080 -5.540 14.457 1.00 0.00 O ATOM 1636 CB ASP A 102 8.027 -8.232 12.953 1.00 0.00 C ATOM 1637 CG ASP A 102 8.193 -8.482 14.439 1.00 0.00 C ATOM 1638 OD1 ASP A 102 7.267 -9.052 15.052 1.00 0.00 O ATOM 1639 OD2 ASP A 102 9.251 -8.108 14.989 1.00 0.00 O ATOM 0 H ASP A 102 7.728 -7.329 10.650 1.00 0.00 H new ATOM 0 HA ASP A 102 6.305 -6.959 13.129 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.481 -9.063 12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.009 -8.205 12.480 1.00 0.00 H new ATOM 1644 N GLU A 103 8.689 -4.965 12.367 1.00 0.00 N ATOM 1645 CA GLU A 103 9.460 -3.802 12.793 1.00 0.00 C ATOM 1646 C GLU A 103 8.701 -2.509 12.507 1.00 0.00 C ATOM 1647 O GLU A 103 8.380 -1.753 13.424 1.00 0.00 O ATOM 1648 CB GLU A 103 10.818 -3.781 12.089 1.00 0.00 C ATOM 1649 CG GLU A 103 11.715 -2.634 12.526 1.00 0.00 C ATOM 1650 CD GLU A 103 12.019 -2.663 14.011 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.951 -3.392 14.412 1.00 0.00 O ATOM 1652 OE2 GLU A 103 11.325 -1.958 14.774 1.00 0.00 O ATOM 0 H GLU A 103 8.680 -5.119 11.359 1.00 0.00 H new ATOM 0 HA GLU A 103 9.618 -3.875 13.869 1.00 0.00 H new ATOM 0 HB2 GLU A 103 11.330 -4.724 12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.658 -3.716 11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.650 -2.676 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.236 -1.688 12.276 1.00 0.00 H new ATOM 1659 N VAL A 104 8.420 -2.260 11.232 1.00 0.00 N ATOM 1660 CA VAL A 104 7.696 -1.060 10.830 1.00 0.00 C ATOM 1661 C VAL A 104 6.290 -1.052 11.423 1.00 0.00 C ATOM 1662 O VAL A 104 5.759 -2.099 11.794 1.00 0.00 O ATOM 1663 CB VAL A 104 7.601 -0.942 9.292 1.00 0.00 C ATOM 1664 CG1 VAL A 104 6.635 -1.974 8.726 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.187 0.464 8.884 1.00 0.00 C ATOM 0 H VAL A 104 8.683 -2.873 10.460 1.00 0.00 H new ATOM 0 HA VAL A 104 8.256 -0.206 11.211 1.00 0.00 H new ATOM 0 HB VAL A 104 8.589 -1.141 8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.586 -1.870 7.642 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.983 -2.975 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.644 -1.816 9.151 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.126 0.525 7.797 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.213 0.696 9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.924 1.180 9.247 1.00 0.00 H new ATOM 1675 N ALA A 105 5.696 0.134 11.511 1.00 0.00 N ATOM 1676 CA ALA A 105 4.352 0.279 12.057 1.00 0.00 C ATOM 1677 C ALA A 105 3.364 -0.626 11.329 1.00 0.00 C ATOM 1678 O ALA A 105 3.001 -0.370 10.182 1.00 0.00 O ATOM 1679 CB ALA A 105 3.902 1.729 11.970 1.00 0.00 C ATOM 0 H ALA A 105 6.125 1.009 11.211 1.00 0.00 H new ATOM 0 HA ALA A 105 4.377 -0.021 13.105 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.897 1.823 12.381 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.587 2.357 12.539 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.899 2.047 10.927 1.00 0.00 H new ATOM 1685 N GLY A 106 2.936 -1.689 12.003 1.00 0.00 N ATOM 1686 CA GLY A 106 1.994 -2.616 11.405 1.00 0.00 C ATOM 1687 C GLY A 106 0.647 -1.977 11.136 1.00 0.00 C ATOM 1688 O GLY A 106 -0.048 -2.351 10.191 1.00 0.00 O ATOM 0 H GLY A 106 3.225 -1.924 12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.406 -2.996 10.470 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.861 -3.472 12.066 1.00 0.00 H new ATOM 1692 N ASP A 107 0.279 -1.011 11.971 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.993 -0.313 11.828 1.00 0.00 C ATOM 1694 C ASP A 107 -1.068 0.440 10.502 1.00 0.00 C ATOM 1695 O ASP A 107 -2.099 0.426 9.829 1.00 0.00 O ATOM 1696 CB ASP A 107 -1.196 0.658 12.993 1.00 0.00 C ATOM 1697 CG ASP A 107 -2.455 1.491 12.843 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -3.528 1.029 13.283 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -2.366 2.606 12.285 1.00 0.00 O ATOM 0 H ASP A 107 0.846 -0.693 12.757 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.787 -1.059 11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.245 0.096 13.926 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.333 1.320 13.065 1.00 0.00 H new ATOM 1704 N ILE A 108 0.028 1.096 10.128 1.00 0.00 N ATOM 1705 CA ILE A 108 0.071 1.855 8.883 1.00 0.00 C ATOM 1706 C ILE A 108 0.089 0.931 7.669 1.00 0.00 C ATOM 1707 O ILE A 108 -0.688 1.110 6.731 1.00 0.00 O ATOM 1708 CB ILE A 108 1.299 2.785 8.822 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.301 3.743 10.016 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.306 3.559 7.511 1.00 0.00 C ATOM 1711 CD1 ILE A 108 2.540 4.611 10.099 1.00 0.00 C ATOM 0 H ILE A 108 0.894 1.117 10.667 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.834 2.462 8.862 1.00 0.00 H new ATOM 0 HB ILE A 108 2.203 2.178 8.870 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.422 4.385 9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.212 3.164 10.935 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.178 4.213 7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.346 2.860 6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.399 4.160 7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.470 5.263 10.970 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.422 3.978 10.190 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.620 5.218 9.197 1.00 0.00 H new ATOM 1723 N PHE A 109 0.980 -0.058 7.691 1.00 0.00 N ATOM 1724 CA PHE A 109 1.092 -1.001 6.585 1.00 0.00 C ATOM 1725 C PHE A 109 -0.183 -1.824 6.428 1.00 0.00 C ATOM 1726 O PHE A 109 -0.509 -2.259 5.326 1.00 0.00 O ATOM 1727 CB PHE A 109 2.294 -1.930 6.769 1.00 0.00 C ATOM 1728 CG PHE A 109 2.451 -2.918 5.645 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.505 -2.486 4.327 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.529 -4.274 5.904 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.637 -3.391 3.290 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.660 -5.185 4.874 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.714 -4.744 3.565 1.00 0.00 C ATOM 0 H PHE A 109 1.631 -0.225 8.459 1.00 0.00 H new ATOM 0 HA PHE A 109 1.241 -0.416 5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.201 -1.330 6.848 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.187 -2.471 7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.443 -1.430 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.487 -4.625 6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.680 -3.042 2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.720 -6.241 5.091 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.816 -5.455 2.758 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.897 -2.037 7.533 1.00 0.00 N ATOM 1744 CA ASP A 110 -2.133 -2.819 7.509 1.00 0.00 C ATOM 1745 C ASP A 110 -3.053 -2.352 6.385 1.00 0.00 C ATOM 1746 O ASP A 110 -3.829 -3.138 5.841 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.859 -2.709 8.852 1.00 0.00 C ATOM 1748 CG ASP A 110 -4.160 -3.487 8.872 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -4.115 -4.713 9.104 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -5.224 -2.869 8.657 1.00 0.00 O ATOM 0 H ASP A 110 -0.642 -1.680 8.454 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.868 -3.861 7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.207 -3.076 9.645 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.063 -1.660 9.067 1.00 0.00 H new ATOM 1755 N MET A 111 -2.961 -1.072 6.043 1.00 0.00 N ATOM 1756 CA MET A 111 -3.770 -0.510 4.969 1.00 0.00 C ATOM 1757 C MET A 111 -3.255 -1.004 3.621 1.00 0.00 C ATOM 1758 O MET A 111 -4.020 -1.489 2.786 1.00 0.00 O ATOM 1759 CB MET A 111 -3.737 1.021 5.030 1.00 0.00 C ATOM 1760 CG MET A 111 -4.531 1.701 3.924 1.00 0.00 C ATOM 1761 SD MET A 111 -3.570 1.932 2.415 1.00 0.00 S ATOM 1762 CE MET A 111 -2.271 3.018 3.002 1.00 0.00 C ATOM 0 H MET A 111 -2.335 -0.405 6.494 1.00 0.00 H new ATOM 0 HA MET A 111 -4.803 -0.837 5.090 1.00 0.00 H new ATOM 0 HB2 MET A 111 -4.127 1.345 5.995 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.701 1.354 4.977 1.00 0.00 H new ATOM 0 HG2 MET A 111 -5.415 1.105 3.699 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.882 2.670 4.278 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.689 3.380 2.155 1.00 0.00 H new ATOM 0 HE2 MET A 111 -2.714 3.865 3.526 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.619 2.471 3.683 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.945 -0.886 3.428 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.300 -1.326 2.198 1.00 0.00 C ATOM 1774 C LEU A 112 -1.387 -2.842 2.061 1.00 0.00 C ATOM 1775 O LEU A 112 -1.315 -3.382 0.960 1.00 0.00 O ATOM 1776 CB LEU A 112 0.165 -0.888 2.184 1.00 0.00 C ATOM 1777 CG LEU A 112 0.394 0.624 2.156 1.00 0.00 C ATOM 1778 CD1 LEU A 112 1.870 0.942 2.339 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.121 1.216 0.853 1.00 0.00 C ATOM 0 H LEU A 112 -1.306 -0.486 4.115 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.818 -0.867 1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.658 -1.297 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.651 -1.329 1.313 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.160 1.072 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.015 2.022 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.211 0.550 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.444 0.482 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.050 2.293 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.406 0.762 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.189 1.018 0.760 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.549 -3.515 3.193 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.638 -4.970 3.229 1.00 0.00 C ATOM 1793 C LEU A 113 -2.671 -5.475 2.227 1.00 0.00 C ATOM 1794 O LEU A 113 -2.574 -6.600 1.734 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.996 -5.436 4.645 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.823 -6.933 4.907 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.368 -7.346 4.730 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.313 -7.286 6.302 1.00 0.00 C ATOM 0 H LEU A 113 -1.622 -3.071 4.108 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.668 -5.384 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.380 -4.886 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.033 -5.167 4.846 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.423 -7.481 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.267 -8.414 4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.049 -7.128 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.255 -6.792 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.183 -8.355 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.739 -6.727 7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.368 -7.029 6.393 1.00 0.00 H new ATOM 1810 N THR A 114 -3.662 -4.637 1.934 1.00 0.00 N ATOM 1811 CA THR A 114 -4.716 -4.991 0.988 1.00 0.00 C ATOM 1812 C THR A 114 -4.165 -5.235 -0.419 1.00 0.00 C ATOM 1813 O THR A 114 -4.929 -5.464 -1.357 1.00 0.00 O ATOM 1814 CB THR A 114 -5.788 -3.888 0.916 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.197 -2.658 0.478 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.450 -3.684 2.271 1.00 0.00 C ATOM 0 H THR A 114 -3.757 -3.706 2.339 1.00 0.00 H new ATOM 0 HA THR A 114 -5.162 -5.915 1.356 1.00 0.00 H new ATOM 0 HB THR A 114 -6.550 -4.200 0.202 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.775 -2.209 1.240 1.00 0.00 H new ATOM 0 HG21 THR A 114 -7.203 -2.900 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.924 -4.613 2.588 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.697 -3.393 3.004 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.840 -5.187 -0.568 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.209 -5.408 -1.865 1.00 0.00 C ATOM 1826 C PHE A 115 -2.444 -6.836 -2.350 1.00 0.00 C ATOM 1827 O PHE A 115 -2.576 -7.079 -3.550 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.702 -5.128 -1.792 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.334 -3.671 -1.909 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.991 -2.841 -2.808 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.677 -3.133 -1.125 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.647 -1.507 -2.920 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.022 -1.800 -1.234 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.361 -0.986 -2.133 1.00 0.00 C ATOM 0 H PHE A 115 -2.187 -4.998 0.192 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.663 -4.717 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.319 -5.512 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.203 -5.681 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.780 -3.243 -3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.200 -3.764 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.166 -0.872 -3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 115 1.809 -1.394 -0.616 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.632 0.056 -2.220 1.00 0.00 H new ATOM 1844 N THR A 116 -2.495 -7.777 -1.412 1.00 0.00 N ATOM 1845 CA THR A 116 -2.713 -9.180 -1.749 1.00 0.00 C ATOM 1846 C THR A 116 -3.682 -9.841 -0.774 1.00 0.00 C ATOM 1847 O THR A 116 -4.378 -10.793 -1.128 1.00 0.00 O ATOM 1848 CB THR A 116 -1.393 -9.973 -1.749 1.00 0.00 C ATOM 1849 OG1 THR A 116 -0.772 -9.896 -0.460 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.443 -9.440 -2.808 1.00 0.00 C ATOM 0 H THR A 116 -2.389 -7.594 -0.414 1.00 0.00 H new ATOM 0 HA THR A 116 -3.141 -9.195 -2.751 1.00 0.00 H new ATOM 0 HB THR A 116 -1.621 -11.014 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.066 -10.405 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.483 -10.015 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.906 -9.530 -3.791 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.223 -8.392 -2.605 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.724 -9.331 0.452 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.607 -9.880 1.476 1.00 0.00 C ATOM 1860 C ASP A 117 -6.059 -9.494 1.213 1.00 0.00 C ATOM 1861 O ASP A 117 -6.548 -8.489 1.731 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.179 -9.399 2.864 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.803 -9.905 3.250 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.804 -9.295 2.817 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.726 -10.914 3.983 1.00 0.00 O ATOM 0 H ASP A 117 -3.159 -8.540 0.761 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.530 -10.967 1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.182 -8.309 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.907 -9.734 3.603 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.741 -10.298 0.404 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.139 -10.043 0.069 1.00 0.00 C ATOM 1872 C PHE A 118 -9.001 -10.010 1.325 1.00 0.00 C ATOM 1873 O PHE A 118 -9.971 -9.256 1.402 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.659 -11.116 -0.890 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.081 -10.894 -1.324 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.375 -10.009 -2.348 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.123 -11.571 -0.708 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.681 -9.802 -2.750 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.431 -11.367 -1.106 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.710 -10.481 -2.128 1.00 0.00 C ATOM 0 H PHE A 118 -6.349 -11.132 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.198 -9.069 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.019 -11.145 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.582 -12.091 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.575 -9.475 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -10.910 -12.265 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.897 -9.110 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.234 -11.900 -0.618 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.731 -10.319 -2.440 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.643 -10.833 2.306 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.386 -10.894 3.558 1.00 0.00 C ATOM 1892 C LEU A 119 -9.348 -9.547 4.272 1.00 0.00 C ATOM 1893 O LEU A 119 -10.337 -9.122 4.868 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.818 -11.987 4.473 1.00 0.00 C ATOM 1895 CG LEU A 119 -9.143 -13.430 4.063 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -10.647 -13.647 4.000 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -8.498 -13.775 2.728 1.00 0.00 C ATOM 0 H LEU A 119 -7.844 -11.465 2.257 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.422 -11.138 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.735 -11.875 4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.194 -11.822 5.483 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.731 -14.095 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.854 -14.676 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.084 -13.453 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -11.082 -12.967 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.743 -14.803 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.872 -13.100 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.416 -13.670 2.809 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.199 -8.882 4.204 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.030 -7.579 4.838 1.00 0.00 C ATOM 1911 C ALA A 120 -8.713 -6.485 4.025 1.00 0.00 C ATOM 1912 O ALA A 120 -9.122 -5.458 4.567 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.552 -7.264 5.012 1.00 0.00 C ATOM 0 H ALA A 120 -7.371 -9.224 3.716 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.500 -7.615 5.821 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.441 -6.289 5.486 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.089 -8.027 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.066 -7.250 4.037 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.830 -6.715 2.722 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.463 -5.754 1.827 1.00 0.00 C ATOM 1921 C PHE A 121 -10.950 -5.627 2.150 1.00 0.00 C ATOM 1922 O PHE A 121 -11.451 -4.530 2.403 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.267 -6.196 0.372 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.521 -5.118 -0.648 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -9.058 -3.825 -0.453 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.216 -5.406 -1.812 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.285 -2.842 -1.397 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.444 -4.427 -2.761 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.978 -3.143 -2.552 1.00 0.00 C ATOM 0 H PHE A 121 -8.494 -7.561 2.261 1.00 0.00 H new ATOM 0 HA PHE A 121 -8.998 -4.778 1.966 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.247 -6.560 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.932 -7.035 0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.513 -3.584 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.584 -6.407 -1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.920 -1.839 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -10.986 -4.665 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 121 -10.156 -2.376 -3.291 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.646 -6.760 2.154 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.072 -6.778 2.457 1.00 0.00 C ATOM 1941 C LYS A 122 -13.315 -6.345 3.899 1.00 0.00 C ATOM 1942 O LYS A 122 -14.242 -5.585 4.182 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.654 -8.174 2.225 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.154 -8.251 2.464 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.677 -9.666 2.283 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.177 -9.740 2.526 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.939 -8.893 1.566 1.00 0.00 N ATOM 0 H LYS A 122 -11.246 -7.676 1.951 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.572 -6.076 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.440 -8.483 1.202 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.152 -8.883 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.381 -7.905 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.668 -7.581 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.453 -10.012 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.162 -10.336 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.508 -10.775 2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.396 -9.420 3.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.949 -9.135 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.811 -7.890 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.590 -9.062 0.601 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.477 -6.838 4.807 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.593 -6.499 6.220 1.00 0.00 C ATOM 1963 C GLU A 123 -12.477 -4.992 6.415 1.00 0.00 C ATOM 1964 O GLU A 123 -13.126 -4.415 7.287 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.512 -7.225 7.029 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.657 -7.075 8.536 1.00 0.00 C ATOM 1967 CD GLU A 123 -11.123 -5.752 9.052 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -9.900 -5.522 8.939 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -11.926 -4.950 9.572 1.00 0.00 O ATOM 0 H GLU A 123 -11.710 -7.474 4.588 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.572 -6.820 6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.535 -8.285 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.534 -6.847 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -12.709 -7.166 8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.130 -7.891 9.030 1.00 0.00 H new ATOM 1976 N MET A 124 -11.649 -4.360 5.590 1.00 0.00 N ATOM 1977 CA MET A 124 -11.447 -2.920 5.665 1.00 0.00 C ATOM 1978 C MET A 124 -12.719 -2.171 5.279 1.00 0.00 C ATOM 1979 O MET A 124 -13.074 -1.173 5.903 1.00 0.00 O ATOM 1980 CB MET A 124 -10.294 -2.497 4.753 1.00 0.00 C ATOM 1981 CG MET A 124 -9.976 -1.011 4.823 1.00 0.00 C ATOM 1982 SD MET A 124 -8.590 -0.544 3.768 1.00 0.00 S ATOM 1983 CE MET A 124 -9.252 -0.929 2.150 1.00 0.00 C ATOM 0 H MET A 124 -11.107 -4.824 4.861 1.00 0.00 H new ATOM 0 HA MET A 124 -11.197 -2.667 6.695 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.403 -3.064 5.022 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.541 -2.759 3.724 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.858 -0.441 4.530 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.749 -0.741 5.854 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.647 -0.443 1.384 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.233 -2.008 1.997 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.279 -0.571 2.082 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.396 -2.658 4.242 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.629 -2.031 3.775 1.00 0.00 C ATOM 1995 C PHE A 125 -15.724 -2.091 4.836 1.00 0.00 C ATOM 1996 O PHE A 125 -16.346 -1.077 5.154 1.00 0.00 O ATOM 1997 CB PHE A 125 -15.115 -2.700 2.490 1.00 0.00 C ATOM 1998 CG PHE A 125 -14.267 -2.382 1.293 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -14.139 -1.077 0.846 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.597 -3.386 0.617 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -13.359 -0.781 -0.254 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.815 -3.097 -0.484 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.696 -1.792 -0.920 1.00 0.00 C ATOM 0 H PHE A 125 -13.113 -3.482 3.711 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.408 -0.983 3.574 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.133 -3.780 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.140 -2.388 2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.655 -0.282 1.364 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.687 -4.408 0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -13.268 0.240 -0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -12.297 -3.890 -1.003 1.00 0.00 H new ATOM 0 HZ PHE A 125 -12.085 -1.563 -1.781 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.960 -3.282 5.377 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.986 -3.467 6.400 1.00 0.00 C ATOM 2015 C LEU A 126 -16.734 -2.562 7.603 1.00 0.00 C ATOM 2016 O LEU A 126 -17.670 -2.015 8.185 1.00 0.00 O ATOM 2017 CB LEU A 126 -17.039 -4.930 6.846 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.935 -5.841 6.001 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.443 -5.901 4.562 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.993 -7.236 6.604 1.00 0.00 C ATOM 0 H LEU A 126 -15.456 -4.133 5.125 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.947 -3.194 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -16.026 -5.333 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.385 -4.965 7.879 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.941 -5.422 5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -18.095 -6.554 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.455 -4.900 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.426 -6.292 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.634 -7.871 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.989 -7.659 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.398 -7.179 7.614 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.466 -2.410 7.970 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.093 -1.571 9.104 1.00 0.00 C ATOM 2034 C ASP A 127 -15.370 -0.100 8.811 1.00 0.00 C ATOM 2035 O ASP A 127 -15.997 0.595 9.610 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.615 -1.765 9.445 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.166 -0.884 10.594 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.322 -1.302 11.760 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -12.659 0.226 10.327 1.00 0.00 O ATOM 0 H ASP A 127 -14.679 -2.857 7.499 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.699 -1.872 9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.438 -2.810 9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.010 -1.546 8.565 1.00 0.00 H new ATOM 2044 N TYR A 128 -14.900 0.364 7.656 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.091 1.753 7.251 1.00 0.00 C ATOM 2046 C TYR A 128 -16.574 2.089 7.144 1.00 0.00 C ATOM 2047 O TYR A 128 -16.991 3.207 7.449 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.398 2.011 5.910 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.490 3.446 5.440 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -13.544 4.386 5.830 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.519 3.859 4.603 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -13.622 5.698 5.399 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.604 5.169 4.168 1.00 0.00 C ATOM 2054 CZ TYR A 128 -14.654 6.083 4.569 1.00 0.00 C ATOM 2055 OH TYR A 128 -14.735 7.387 4.137 1.00 0.00 O ATOM 0 H TYR A 128 -14.383 -0.203 6.983 1.00 0.00 H new ATOM 0 HA TYR A 128 -14.647 2.394 8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.347 1.733 5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -14.839 1.362 5.153 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -12.735 4.087 6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.265 3.145 4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -12.879 6.417 5.711 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.410 5.474 3.518 1.00 0.00 H new ATOM 0 HH TYR A 128 -15.519 7.492 3.559 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.367 1.114 6.713 1.00 0.00 N ATOM 2066 CA ARG A 129 -18.804 1.302 6.563 1.00 0.00 C ATOM 2067 C ARG A 129 -19.474 1.472 7.924 1.00 0.00 C ATOM 2068 O ARG A 129 -20.397 2.270 8.077 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.419 0.112 5.821 1.00 0.00 C ATOM 2070 CG ARG A 129 -20.919 0.234 5.606 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.471 -0.972 4.863 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.917 -0.890 4.683 1.00 0.00 N ATOM 2073 CZ ARG A 129 -23.619 -1.748 3.948 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -23.009 -2.747 3.323 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -24.933 -1.609 3.837 1.00 0.00 N ATOM 0 H ARG A 129 -17.037 0.183 6.461 1.00 0.00 H new ATOM 0 HA ARG A 129 -18.970 2.209 5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -18.930 0.007 4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.214 -0.800 6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.420 0.331 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.135 1.141 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -20.988 -1.049 3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.225 -1.880 5.413 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.417 -0.132 5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -21.999 -2.859 3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.551 -3.403 2.760 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.407 -0.843 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.470 -2.268 3.273 1.00 0.00 H new ATOM 2089 N ALA A 130 -18.999 0.715 8.907 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.548 0.781 10.255 1.00 0.00 C ATOM 2091 C ALA A 130 -19.235 2.121 10.911 1.00 0.00 C ATOM 2092 O ALA A 130 -20.005 2.615 11.735 1.00 0.00 O ATOM 2093 CB ALA A 130 -19.008 -0.362 11.101 1.00 0.00 C ATOM 0 H ALA A 130 -18.235 0.049 8.795 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.632 0.686 10.184 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.426 -0.300 12.106 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -19.288 -1.313 10.649 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.922 -0.293 11.156 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.100 2.705 10.538 1.00 0.00 N ATOM 2100 CA GLU A 131 -17.684 3.987 11.091 1.00 0.00 C ATOM 2101 C GLU A 131 -18.539 5.123 10.538 1.00 0.00 C ATOM 2102 O GLU A 131 -18.563 6.221 11.095 1.00 0.00 O ATOM 2103 CB GLU A 131 -16.210 4.249 10.783 1.00 0.00 C ATOM 2104 CG GLU A 131 -15.268 3.223 11.391 1.00 0.00 C ATOM 2105 CD GLU A 131 -13.815 3.485 11.044 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -13.145 4.218 11.802 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -13.347 2.959 10.012 1.00 0.00 O ATOM 0 H GLU A 131 -17.453 2.310 9.855 1.00 0.00 H new ATOM 0 HA GLU A 131 -17.820 3.946 12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -16.070 4.262 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -15.941 5.239 11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.385 3.226 12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.547 2.228 11.043 1.00 0.00 H new