USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 THR OG1 : rot 170:sc= -0.0964 USER MOD Set 1.2: A 96 THR OG1 : rot 85:sc= 0.52 USER MOD Set 2.1: A 80 GLN : amide:sc= -0.0667 K(o=-0.059,f=-0.61) USER MOD Set 2.2: A 83 GLN : amide:sc= 0.00727 X(o=-0.059,f=-0.52) USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 114 THR OG1 : rot -83:sc= 0.674 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 161:sc= -0.0843 (180deg=-0.531) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 45 MET CE :methyl 138:sc= -0.249 (180deg=-0.928) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0243 (180deg=-0.239) USER MOD Single : A 48 TYR OH : rot -150:sc= -0.185 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.3! K(o=-2.3!,f=-0.078) USER MOD Single : A 71 SER OG : rot 87:sc= 0.648 USER MOD Single : A 75 LYS NZ :NH3+ -171:sc=-0.00707 (180deg=-0.115) USER MOD Single : A 76 TYR OH : rot -3:sc= 0.698 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -83:sc= 0.333 USER MOD Single : A 98 GLN : amide:sc= -0.0987 K(o=-0.099,f=-0.81) USER MOD Single : A 99 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-4.8!) USER MOD Single : A 100 HIS : no HD1:sc= -0.0425 K(o=-0.043,f=-1.2) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 144:sc= -0.173 (180deg=-1.24) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl 164:sc= -0.165 (180deg=-0.634) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N ALA A 19 19.673 1.551 6.148 1.00 0.00 N ATOM 243 CA ALA A 19 19.006 2.823 6.393 1.00 0.00 C ATOM 244 C ALA A 19 18.087 3.204 5.237 1.00 0.00 C ATOM 245 O ALA A 19 17.143 3.974 5.415 1.00 0.00 O ATOM 246 CB ALA A 19 20.035 3.916 6.633 1.00 0.00 C ATOM 0 HA ALA A 19 18.389 2.712 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 19 19.525 4.862 6.815 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.643 3.659 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 19 20.675 4.012 5.756 1.00 0.00 H new ATOM 252 N GLU A 20 18.369 2.666 4.052 1.00 0.00 N ATOM 253 CA GLU A 20 17.566 2.964 2.870 1.00 0.00 C ATOM 254 C GLU A 20 16.099 2.621 3.105 1.00 0.00 C ATOM 255 O GLU A 20 15.209 3.376 2.715 1.00 0.00 O ATOM 256 CB GLU A 20 18.092 2.199 1.655 1.00 0.00 C ATOM 257 CG GLU A 20 17.485 2.661 0.340 1.00 0.00 C ATOM 258 CD GLU A 20 18.073 1.947 -0.861 1.00 0.00 C ATOM 259 OE1 GLU A 20 19.261 2.182 -1.166 1.00 0.00 O ATOM 260 OE2 GLU A 20 17.347 1.152 -1.494 1.00 0.00 O ATOM 0 H GLU A 20 19.144 2.024 3.886 1.00 0.00 H new ATOM 0 HA GLU A 20 17.644 4.034 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 20 19.175 2.311 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.887 1.137 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.408 2.495 0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.640 3.734 0.231 1.00 0.00 H new ATOM 267 N PHE A 21 15.851 1.478 3.742 1.00 0.00 N ATOM 268 CA PHE A 21 14.486 1.051 4.028 1.00 0.00 C ATOM 269 C PHE A 21 13.760 2.111 4.849 1.00 0.00 C ATOM 270 O PHE A 21 12.615 2.458 4.561 1.00 0.00 O ATOM 271 CB PHE A 21 14.483 -0.283 4.780 1.00 0.00 C ATOM 272 CG PHE A 21 13.129 -0.932 4.848 1.00 0.00 C ATOM 273 CD1 PHE A 21 12.188 -0.512 5.776 1.00 0.00 C ATOM 274 CD2 PHE A 21 12.798 -1.964 3.985 1.00 0.00 C ATOM 275 CE1 PHE A 21 10.942 -1.108 5.839 1.00 0.00 C ATOM 276 CE2 PHE A 21 11.554 -2.564 4.044 1.00 0.00 C ATOM 277 CZ PHE A 21 10.625 -2.135 4.973 1.00 0.00 C ATOM 0 H PHE A 21 16.573 0.836 4.067 1.00 0.00 H new ATOM 0 HA PHE A 21 13.965 0.918 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.180 -0.966 4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.850 -0.120 5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 21 12.431 0.290 6.457 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.520 -2.304 3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.217 -0.770 6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.308 -3.367 3.365 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.653 -2.603 5.021 1.00 0.00 H new ATOM 287 N ASP A 22 14.439 2.623 5.874 1.00 0.00 N ATOM 288 CA ASP A 22 13.865 3.652 6.733 1.00 0.00 C ATOM 289 C ASP A 22 13.486 4.881 5.917 1.00 0.00 C ATOM 290 O ASP A 22 12.455 5.508 6.161 1.00 0.00 O ATOM 291 CB ASP A 22 14.857 4.042 7.833 1.00 0.00 C ATOM 292 CG ASP A 22 14.323 5.145 8.726 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.573 4.831 9.674 1.00 0.00 O ATOM 294 OD2 ASP A 22 14.651 6.324 8.476 1.00 0.00 O ATOM 0 H ASP A 22 15.386 2.341 6.128 1.00 0.00 H new ATOM 0 HA ASP A 22 12.964 3.248 7.195 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.086 3.166 8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.792 4.368 7.377 1.00 0.00 H new ATOM 299 N ALA A 23 14.327 5.218 4.944 1.00 0.00 N ATOM 300 CA ALA A 23 14.081 6.369 4.085 1.00 0.00 C ATOM 301 C ALA A 23 12.779 6.198 3.312 1.00 0.00 C ATOM 302 O ALA A 23 11.952 7.107 3.261 1.00 0.00 O ATOM 303 CB ALA A 23 15.244 6.569 3.125 1.00 0.00 C ATOM 0 H ALA A 23 15.185 4.709 4.731 1.00 0.00 H new ATOM 0 HA ALA A 23 13.990 7.254 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 23 15.047 7.432 2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.159 6.738 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.360 5.680 2.504 1.00 0.00 H new ATOM 309 N VAL A 24 12.605 5.021 2.714 1.00 0.00 N ATOM 310 CA VAL A 24 11.403 4.725 1.946 1.00 0.00 C ATOM 311 C VAL A 24 10.158 4.854 2.814 1.00 0.00 C ATOM 312 O VAL A 24 9.132 5.373 2.370 1.00 0.00 O ATOM 313 CB VAL A 24 11.453 3.307 1.345 1.00 0.00 C ATOM 314 CG1 VAL A 24 10.209 3.032 0.514 1.00 0.00 C ATOM 315 CG2 VAL A 24 12.711 3.127 0.507 1.00 0.00 C ATOM 0 H VAL A 24 13.282 4.259 2.748 1.00 0.00 H new ATOM 0 HA VAL A 24 11.357 5.451 1.134 1.00 0.00 H new ATOM 0 HB VAL A 24 11.481 2.588 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.264 2.026 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.324 3.116 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.146 3.757 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.730 2.120 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.715 3.855 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.590 3.277 1.134 1.00 0.00 H new ATOM 325 N VAL A 25 10.253 4.381 4.053 1.00 0.00 N ATOM 326 CA VAL A 25 9.135 4.451 4.984 1.00 0.00 C ATOM 327 C VAL A 25 8.719 5.899 5.214 1.00 0.00 C ATOM 328 O VAL A 25 7.531 6.206 5.310 1.00 0.00 O ATOM 329 CB VAL A 25 9.484 3.796 6.336 1.00 0.00 C ATOM 330 CG1 VAL A 25 8.356 3.990 7.339 1.00 0.00 C ATOM 331 CG2 VAL A 25 9.786 2.317 6.148 1.00 0.00 C ATOM 0 H VAL A 25 11.093 3.946 4.434 1.00 0.00 H new ATOM 0 HA VAL A 25 8.306 3.902 4.537 1.00 0.00 H new ATOM 0 HB VAL A 25 10.375 4.283 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.625 3.520 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.190 5.055 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.444 3.534 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 25 10.030 1.870 7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.913 1.818 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.631 2.202 5.470 1.00 0.00 H new ATOM 341 N GLY A 26 9.707 6.785 5.293 1.00 0.00 N ATOM 342 CA GLY A 26 9.428 8.193 5.504 1.00 0.00 C ATOM 343 C GLY A 26 8.634 8.794 4.362 1.00 0.00 C ATOM 344 O GLY A 26 7.621 9.459 4.584 1.00 0.00 O ATOM 0 H GLY A 26 10.697 6.552 5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.874 8.317 6.435 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.367 8.735 5.617 1.00 0.00 H new ATOM 348 N TYR A 27 9.093 8.555 3.136 1.00 0.00 N ATOM 349 CA TYR A 27 8.415 9.071 1.953 1.00 0.00 C ATOM 350 C TYR A 27 6.977 8.568 1.899 1.00 0.00 C ATOM 351 O TYR A 27 6.065 9.303 1.520 1.00 0.00 O ATOM 352 CB TYR A 27 9.165 8.657 0.684 1.00 0.00 C ATOM 353 CG TYR A 27 10.564 9.225 0.588 1.00 0.00 C ATOM 354 CD1 TYR A 27 10.779 10.599 0.592 1.00 0.00 C ATOM 355 CD2 TYR A 27 11.670 8.389 0.492 1.00 0.00 C ATOM 356 CE1 TYR A 27 12.056 11.121 0.503 1.00 0.00 C ATOM 357 CE2 TYR A 27 12.949 8.904 0.404 1.00 0.00 C ATOM 358 CZ TYR A 27 13.137 10.270 0.410 1.00 0.00 C ATOM 359 OH TYR A 27 14.409 10.787 0.320 1.00 0.00 O ATOM 0 H TYR A 27 9.931 8.008 2.937 1.00 0.00 H new ATOM 0 HA TYR A 27 8.402 10.159 2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.221 7.569 0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.592 8.978 -0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.935 11.269 0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 27 11.527 7.318 0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.206 12.190 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.797 8.240 0.331 1.00 0.00 H new ATOM 0 HH TYR A 27 15.057 10.054 0.263 1.00 0.00 H new ATOM 369 N LEU A 28 6.783 7.310 2.285 1.00 0.00 N ATOM 370 CA LEU A 28 5.456 6.706 2.289 1.00 0.00 C ATOM 371 C LEU A 28 4.523 7.468 3.221 1.00 0.00 C ATOM 372 O LEU A 28 3.358 7.699 2.897 1.00 0.00 O ATOM 373 CB LEU A 28 5.537 5.238 2.716 1.00 0.00 C ATOM 374 CG LEU A 28 6.237 4.309 1.721 1.00 0.00 C ATOM 375 CD1 LEU A 28 6.481 2.943 2.345 1.00 0.00 C ATOM 376 CD2 LEU A 28 5.411 4.172 0.450 1.00 0.00 C ATOM 0 H LEU A 28 7.529 6.689 2.599 1.00 0.00 H new ATOM 0 HA LEU A 28 5.056 6.757 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.060 5.182 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.525 4.869 2.884 1.00 0.00 H new ATOM 0 HG LEU A 28 7.201 4.746 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.979 2.297 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.111 3.054 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.528 2.499 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.923 3.508 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.433 3.757 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.285 5.152 -0.009 1.00 0.00 H new ATOM 388 N GLU A 29 5.046 7.859 4.380 1.00 0.00 N ATOM 389 CA GLU A 29 4.262 8.598 5.361 1.00 0.00 C ATOM 390 C GLU A 29 3.748 9.906 4.771 1.00 0.00 C ATOM 391 O GLU A 29 2.584 10.262 4.951 1.00 0.00 O ATOM 392 CB GLU A 29 5.099 8.879 6.611 1.00 0.00 C ATOM 393 CG GLU A 29 5.502 7.623 7.367 1.00 0.00 C ATOM 394 CD GLU A 29 6.318 7.926 8.606 1.00 0.00 C ATOM 395 OE1 GLU A 29 7.550 8.092 8.480 1.00 0.00 O ATOM 396 OE2 GLU A 29 5.727 7.999 9.704 1.00 0.00 O ATOM 0 H GLU A 29 6.009 7.676 4.661 1.00 0.00 H new ATOM 0 HA GLU A 29 3.405 7.985 5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.998 9.423 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.534 9.529 7.278 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.606 7.072 7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.078 6.975 6.707 1.00 0.00 H new ATOM 403 N ASP A 30 4.623 10.619 4.066 1.00 0.00 N ATOM 404 CA ASP A 30 4.246 11.883 3.445 1.00 0.00 C ATOM 405 C ASP A 30 3.091 11.677 2.470 1.00 0.00 C ATOM 406 O ASP A 30 2.218 12.535 2.336 1.00 0.00 O ATOM 407 CB ASP A 30 5.440 12.502 2.715 1.00 0.00 C ATOM 408 CG ASP A 30 6.607 12.777 3.641 1.00 0.00 C ATOM 409 OD1 ASP A 30 6.593 13.825 4.319 1.00 0.00 O ATOM 410 OD2 ASP A 30 7.537 11.945 3.688 1.00 0.00 O ATOM 0 H ASP A 30 5.593 10.344 3.912 1.00 0.00 H new ATOM 0 HA ASP A 30 3.925 12.565 4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.762 11.831 1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.129 13.433 2.241 1.00 0.00 H new ATOM 415 N ILE A 31 3.094 10.532 1.794 1.00 0.00 N ATOM 416 CA ILE A 31 2.044 10.207 0.838 1.00 0.00 C ATOM 417 C ILE A 31 0.712 10.009 1.551 1.00 0.00 C ATOM 418 O ILE A 31 -0.326 10.488 1.094 1.00 0.00 O ATOM 419 CB ILE A 31 2.384 8.935 0.034 1.00 0.00 C ATOM 420 CG1 ILE A 31 3.711 9.112 -0.707 1.00 0.00 C ATOM 421 CG2 ILE A 31 1.265 8.610 -0.945 1.00 0.00 C ATOM 422 CD1 ILE A 31 4.222 7.842 -1.354 1.00 0.00 C ATOM 0 H ILE A 31 3.812 9.815 1.891 1.00 0.00 H new ATOM 0 HA ILE A 31 1.967 11.046 0.146 1.00 0.00 H new ATOM 0 HB ILE A 31 2.485 8.102 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.589 9.876 -1.474 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.461 9.480 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.521 7.710 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.338 8.445 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.134 9.442 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.166 8.046 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.377 7.081 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.491 7.484 -2.079 1.00 0.00 H new ATOM 434 N ILE A 32 0.750 9.299 2.674 1.00 0.00 N ATOM 435 CA ILE A 32 -0.451 9.038 3.459 1.00 0.00 C ATOM 436 C ILE A 32 -1.073 10.342 3.952 1.00 0.00 C ATOM 437 O ILE A 32 -2.287 10.430 4.140 1.00 0.00 O ATOM 438 CB ILE A 32 -0.141 8.136 4.671 1.00 0.00 C ATOM 439 CG1 ILE A 32 0.507 6.830 4.210 1.00 0.00 C ATOM 440 CG2 ILE A 32 -1.411 7.851 5.465 1.00 0.00 C ATOM 441 CD1 ILE A 32 1.045 5.988 5.347 1.00 0.00 C ATOM 0 H ILE A 32 1.602 8.893 3.061 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.157 8.525 2.806 1.00 0.00 H new ATOM 0 HB ILE A 32 0.560 8.660 5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.226 6.247 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.321 7.060 3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.173 7.213 6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.835 8.789 5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.135 7.346 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.490 5.077 4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.802 6.553 5.891 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.231 5.727 6.023 1.00 0.00 H new ATOM 453 N MET A 33 -0.234 11.352 4.156 1.00 0.00 N ATOM 454 CA MET A 33 -0.699 12.649 4.632 1.00 0.00 C ATOM 455 C MET A 33 -0.929 13.610 3.469 1.00 0.00 C ATOM 456 O MET A 33 -1.458 14.707 3.654 1.00 0.00 O ATOM 457 CB MET A 33 0.316 13.251 5.605 1.00 0.00 C ATOM 458 CG MET A 33 0.704 12.313 6.737 1.00 0.00 C ATOM 459 SD MET A 33 1.936 13.030 7.841 1.00 0.00 S ATOM 460 CE MET A 33 1.015 14.405 8.526 1.00 0.00 C ATOM 0 H MET A 33 0.772 11.297 3.999 1.00 0.00 H new ATOM 0 HA MET A 33 -1.647 12.497 5.148 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.213 13.532 5.053 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.098 14.166 6.028 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.186 12.055 7.311 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.093 11.385 6.318 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.491 14.739 9.448 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.999 15.225 7.809 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.006 14.089 8.739 1.00 0.00 H new ATOM 470 N ASP A 34 -0.524 13.193 2.275 1.00 0.00 N ATOM 471 CA ASP A 34 -0.684 14.018 1.082 1.00 0.00 C ATOM 472 C ASP A 34 -2.161 14.272 0.789 1.00 0.00 C ATOM 473 O ASP A 34 -2.964 13.340 0.748 1.00 0.00 O ATOM 474 CB ASP A 34 -0.016 13.343 -0.117 1.00 0.00 C ATOM 475 CG ASP A 34 -0.099 14.187 -1.373 1.00 0.00 C ATOM 476 OD1 ASP A 34 0.818 15.006 -1.600 1.00 0.00 O ATOM 477 OD2 ASP A 34 -1.078 14.028 -2.130 1.00 0.00 O ATOM 0 H ASP A 34 -0.083 12.289 2.107 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.203 14.979 1.263 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.030 13.145 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.490 12.378 -0.298 1.00 0.00 H new ATOM 482 N ASP A 35 -2.508 15.539 0.582 1.00 0.00 N ATOM 483 CA ASP A 35 -3.889 15.920 0.300 1.00 0.00 C ATOM 484 C ASP A 35 -4.413 15.225 -0.951 1.00 0.00 C ATOM 485 O ASP A 35 -5.499 14.646 -0.939 1.00 0.00 O ATOM 486 CB ASP A 35 -4.001 17.437 0.138 1.00 0.00 C ATOM 487 CG ASP A 35 -3.639 18.184 1.405 1.00 0.00 C ATOM 488 OD1 ASP A 35 -4.529 18.366 2.264 1.00 0.00 O ATOM 489 OD2 ASP A 35 -2.464 18.587 1.541 1.00 0.00 O ATOM 0 H ASP A 35 -1.852 16.320 0.604 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.499 15.603 1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.347 17.762 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.020 17.694 -0.153 1.00 0.00 H new ATOM 494 N GLU A 36 -3.638 15.288 -2.030 1.00 0.00 N ATOM 495 CA GLU A 36 -4.034 14.662 -3.286 1.00 0.00 C ATOM 496 C GLU A 36 -4.261 13.166 -3.097 1.00 0.00 C ATOM 497 O GLU A 36 -5.043 12.550 -3.823 1.00 0.00 O ATOM 498 CB GLU A 36 -2.970 14.898 -4.360 1.00 0.00 C ATOM 499 CG GLU A 36 -3.364 14.376 -5.732 1.00 0.00 C ATOM 500 CD GLU A 36 -2.290 14.612 -6.776 1.00 0.00 C ATOM 501 OE1 GLU A 36 -2.293 15.697 -7.395 1.00 0.00 O ATOM 502 OE2 GLU A 36 -1.446 13.713 -6.973 1.00 0.00 O ATOM 0 H GLU A 36 -2.736 15.764 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.970 15.117 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.769 15.967 -4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.041 14.418 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.572 13.308 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.287 14.861 -6.050 1.00 0.00 H new ATOM 509 N PHE A 37 -3.579 12.588 -2.111 1.00 0.00 N ATOM 510 CA PHE A 37 -3.710 11.164 -1.823 1.00 0.00 C ATOM 511 C PHE A 37 -5.041 10.876 -1.138 1.00 0.00 C ATOM 512 O PHE A 37 -5.666 9.843 -1.383 1.00 0.00 O ATOM 513 CB PHE A 37 -2.551 10.690 -0.944 1.00 0.00 C ATOM 514 CG PHE A 37 -2.697 9.275 -0.463 1.00 0.00 C ATOM 515 CD1 PHE A 37 -2.522 8.211 -1.333 1.00 0.00 C ATOM 516 CD2 PHE A 37 -3.009 9.010 0.861 1.00 0.00 C ATOM 517 CE1 PHE A 37 -2.657 6.908 -0.892 1.00 0.00 C ATOM 518 CE2 PHE A 37 -3.146 7.708 1.307 1.00 0.00 C ATOM 519 CZ PHE A 37 -2.969 6.656 0.430 1.00 0.00 C ATOM 0 H PHE A 37 -2.931 13.084 -1.499 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.681 10.619 -2.766 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.621 10.779 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.467 11.351 -0.081 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.277 8.402 -2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.147 9.829 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.519 6.087 -1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.391 7.514 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.074 5.639 0.777 1.00 0.00 H new ATOM 529 N GLN A 38 -5.468 11.794 -0.279 1.00 0.00 N ATOM 530 CA GLN A 38 -6.727 11.640 0.436 1.00 0.00 C ATOM 531 C GLN A 38 -7.902 11.698 -0.534 1.00 0.00 C ATOM 532 O GLN A 38 -8.894 10.992 -0.366 1.00 0.00 O ATOM 533 CB GLN A 38 -6.868 12.726 1.504 1.00 0.00 C ATOM 534 CG GLN A 38 -5.802 12.648 2.587 1.00 0.00 C ATOM 535 CD GLN A 38 -5.924 13.761 3.610 1.00 0.00 C ATOM 536 OE1 GLN A 38 -7.019 14.247 3.889 1.00 0.00 O ATOM 537 NE2 GLN A 38 -4.792 14.172 4.172 1.00 0.00 N ATOM 0 H GLN A 38 -4.961 12.652 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.729 10.666 0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.819 13.704 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.852 12.646 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.874 11.685 3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.816 12.692 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.906 13.740 3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.809 14.920 4.866 1.00 0.00 H new ATOM 546 N LEU A 39 -7.777 12.546 -1.552 1.00 0.00 N ATOM 547 CA LEU A 39 -8.822 12.694 -2.559 1.00 0.00 C ATOM 548 C LEU A 39 -8.906 11.439 -3.428 1.00 0.00 C ATOM 549 O LEU A 39 -9.992 10.981 -3.772 1.00 0.00 O ATOM 550 CB LEU A 39 -8.541 13.928 -3.429 1.00 0.00 C ATOM 551 CG LEU A 39 -9.772 14.618 -4.034 1.00 0.00 C ATOM 552 CD1 LEU A 39 -10.487 13.701 -5.016 1.00 0.00 C ATOM 553 CD2 LEU A 39 -10.724 15.073 -2.939 1.00 0.00 C ATOM 0 H LEU A 39 -6.962 13.141 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.779 12.829 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.000 14.657 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.879 13.632 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.429 15.496 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.355 14.216 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.807 13.432 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.813 12.798 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.590 15.559 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.053 14.210 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.213 15.777 -2.282 1.00 0.00 H new ATOM 565 N LEU A 40 -7.745 10.890 -3.772 1.00 0.00 N ATOM 566 CA LEU A 40 -7.669 9.690 -4.602 1.00 0.00 C ATOM 567 C LEU A 40 -8.325 8.498 -3.907 1.00 0.00 C ATOM 568 O LEU A 40 -9.208 7.842 -4.466 1.00 0.00 O ATOM 569 CB LEU A 40 -6.198 9.381 -4.911 1.00 0.00 C ATOM 570 CG LEU A 40 -5.928 8.245 -5.908 1.00 0.00 C ATOM 571 CD1 LEU A 40 -6.063 6.886 -5.238 1.00 0.00 C ATOM 572 CD2 LEU A 40 -6.851 8.340 -7.115 1.00 0.00 C ATOM 0 H LEU A 40 -6.838 11.259 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.209 9.871 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.733 10.289 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.697 9.138 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.901 8.352 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.867 6.100 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.346 6.810 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.074 6.773 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.636 7.522 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.888 8.274 -6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.691 9.292 -7.621 1.00 0.00 H new ATOM 584 N GLN A 41 -7.898 8.235 -2.678 1.00 0.00 N ATOM 585 CA GLN A 41 -8.417 7.113 -1.901 1.00 0.00 C ATOM 586 C GLN A 41 -9.897 7.282 -1.565 1.00 0.00 C ATOM 587 O GLN A 41 -10.691 6.362 -1.751 1.00 0.00 O ATOM 588 CB GLN A 41 -7.606 6.950 -0.614 1.00 0.00 C ATOM 589 CG GLN A 41 -8.035 5.764 0.233 1.00 0.00 C ATOM 590 CD GLN A 41 -7.126 5.535 1.424 1.00 0.00 C ATOM 591 OE1 GLN A 41 -6.531 6.473 1.957 1.00 0.00 O ATOM 592 NE2 GLN A 41 -7.015 4.283 1.852 1.00 0.00 N ATOM 0 H GLN A 41 -7.189 8.787 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.320 6.217 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.552 6.840 -0.871 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.696 7.860 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.054 5.924 0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.049 4.867 -0.386 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.526 3.536 1.381 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.419 4.068 2.652 1.00 0.00 H new ATOM 601 N ARG A 42 -10.264 8.459 -1.069 1.00 0.00 N ATOM 602 CA ARG A 42 -11.648 8.732 -0.688 1.00 0.00 C ATOM 603 C ARG A 42 -12.593 8.697 -1.888 1.00 0.00 C ATOM 604 O ARG A 42 -13.718 8.207 -1.784 1.00 0.00 O ATOM 605 CB ARG A 42 -11.743 10.088 0.012 1.00 0.00 C ATOM 606 CG ARG A 42 -13.160 10.477 0.402 1.00 0.00 C ATOM 607 CD ARG A 42 -13.180 11.754 1.227 1.00 0.00 C ATOM 608 NE ARG A 42 -12.543 12.866 0.527 1.00 0.00 N ATOM 609 CZ ARG A 42 -12.387 14.078 1.052 1.00 0.00 C ATOM 610 NH1 ARG A 42 -12.818 14.333 2.281 1.00 0.00 N ATOM 611 NH2 ARG A 42 -11.799 15.037 0.349 1.00 0.00 N ATOM 0 H ARG A 42 -9.624 9.239 -0.921 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.958 7.943 -0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.122 10.069 0.907 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.333 10.855 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.761 10.614 -0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -13.617 9.668 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.211 12.017 1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.670 11.582 2.175 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.198 12.704 -0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.270 13.599 2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.697 15.263 2.681 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.466 14.845 -0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.680 15.966 0.753 1.00 0.00 H new ATOM 625 N ASN A 43 -12.137 9.217 -3.024 1.00 0.00 N ATOM 626 CA ASN A 43 -12.961 9.252 -4.231 1.00 0.00 C ATOM 627 C ASN A 43 -13.363 7.852 -4.679 1.00 0.00 C ATOM 628 O ASN A 43 -14.537 7.593 -4.947 1.00 0.00 O ATOM 629 CB ASN A 43 -12.216 9.961 -5.364 1.00 0.00 C ATOM 630 CG ASN A 43 -13.028 10.017 -6.643 1.00 0.00 C ATOM 631 OD1 ASN A 43 -12.969 9.106 -7.470 1.00 0.00 O ATOM 632 ND2 ASN A 43 -13.789 11.092 -6.815 1.00 0.00 N ATOM 0 H ASN A 43 -11.206 9.619 -3.135 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.869 9.805 -3.990 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.965 10.975 -5.052 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.276 9.444 -5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.355 11.187 -7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.808 11.823 -6.104 1.00 0.00 H new ATOM 639 N PHE A 44 -12.391 6.949 -4.759 1.00 0.00 N ATOM 640 CA PHE A 44 -12.659 5.580 -5.194 1.00 0.00 C ATOM 641 C PHE A 44 -13.349 4.759 -4.107 1.00 0.00 C ATOM 642 O PHE A 44 -14.289 4.016 -4.391 1.00 0.00 O ATOM 643 CB PHE A 44 -11.365 4.897 -5.634 1.00 0.00 C ATOM 644 CG PHE A 44 -10.927 5.301 -7.012 1.00 0.00 C ATOM 645 CD1 PHE A 44 -10.168 6.444 -7.207 1.00 0.00 C ATOM 646 CD2 PHE A 44 -11.284 4.542 -8.115 1.00 0.00 C ATOM 647 CE1 PHE A 44 -9.774 6.823 -8.475 1.00 0.00 C ATOM 648 CE2 PHE A 44 -10.891 4.915 -9.386 1.00 0.00 C ATOM 649 CZ PHE A 44 -10.135 6.058 -9.567 1.00 0.00 C ATOM 0 H PHE A 44 -11.415 7.138 -4.530 1.00 0.00 H new ATOM 0 HA PHE A 44 -13.340 5.636 -6.043 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.574 5.136 -4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -11.503 3.816 -5.605 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.881 7.045 -6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -11.876 3.649 -7.980 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -9.184 7.717 -8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -11.174 4.314 -10.237 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.827 6.352 -10.560 1.00 0.00 H new ATOM 659 N MET A 45 -12.886 4.891 -2.868 1.00 0.00 N ATOM 660 CA MET A 45 -13.475 4.150 -1.755 1.00 0.00 C ATOM 661 C MET A 45 -14.956 4.475 -1.604 1.00 0.00 C ATOM 662 O MET A 45 -15.725 3.680 -1.063 1.00 0.00 O ATOM 663 CB MET A 45 -12.741 4.459 -0.448 1.00 0.00 C ATOM 664 CG MET A 45 -11.387 3.780 -0.333 1.00 0.00 C ATOM 665 SD MET A 45 -10.659 3.958 1.307 1.00 0.00 S ATOM 666 CE MET A 45 -11.881 3.123 2.315 1.00 0.00 C ATOM 0 H MET A 45 -12.110 5.500 -2.609 1.00 0.00 H new ATOM 0 HA MET A 45 -13.372 3.087 -1.975 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.605 5.537 -0.364 1.00 0.00 H new ATOM 0 HB3 MET A 45 -13.365 4.150 0.391 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.495 2.721 -0.565 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.709 4.202 -1.075 1.00 0.00 H new ATOM 0 HE1 MET A 45 -11.378 2.505 3.059 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.504 3.862 2.818 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.505 2.492 1.682 1.00 0.00 H new ATOM 676 N ASP A 46 -15.348 5.651 -2.080 1.00 0.00 N ATOM 677 CA ASP A 46 -16.739 6.084 -2.003 1.00 0.00 C ATOM 678 C ASP A 46 -17.652 5.100 -2.729 1.00 0.00 C ATOM 679 O ASP A 46 -18.812 4.924 -2.360 1.00 0.00 O ATOM 680 CB ASP A 46 -16.892 7.479 -2.609 1.00 0.00 C ATOM 681 CG ASP A 46 -18.312 8.000 -2.505 1.00 0.00 C ATOM 682 OD1 ASP A 46 -18.636 8.640 -1.484 1.00 0.00 O ATOM 683 OD2 ASP A 46 -19.100 7.767 -3.445 1.00 0.00 O ATOM 0 H ASP A 46 -14.722 6.323 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.029 6.117 -0.953 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.217 8.169 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.593 7.452 -3.657 1.00 0.00 H new ATOM 688 N LYS A 47 -17.118 4.469 -3.769 1.00 0.00 N ATOM 689 CA LYS A 47 -17.874 3.501 -4.555 1.00 0.00 C ATOM 690 C LYS A 47 -17.558 2.079 -4.115 1.00 0.00 C ATOM 691 O LYS A 47 -18.445 1.234 -4.011 1.00 0.00 O ATOM 692 CB LYS A 47 -17.538 3.660 -6.035 1.00 0.00 C ATOM 693 CG LYS A 47 -18.502 2.938 -6.963 1.00 0.00 C ATOM 694 CD LYS A 47 -19.899 3.535 -6.897 1.00 0.00 C ATOM 695 CE LYS A 47 -20.863 2.797 -7.813 1.00 0.00 C ATOM 696 NZ LYS A 47 -21.008 1.365 -7.430 1.00 0.00 N ATOM 0 H LYS A 47 -16.160 4.612 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.936 3.688 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.533 4.721 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.529 3.286 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.131 2.992 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.544 1.882 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -20.266 3.493 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.860 4.587 -7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.839 3.282 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.509 2.863 -8.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -21.834 0.958 -7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -20.153 0.843 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -21.138 1.292 -6.401 1.00 0.00 H new ATOM 710 N TYR A 48 -16.280 1.828 -3.870 1.00 0.00 N ATOM 711 CA TYR A 48 -15.820 0.511 -3.443 1.00 0.00 C ATOM 712 C TYR A 48 -16.590 0.017 -2.221 1.00 0.00 C ATOM 713 O TYR A 48 -17.139 -1.084 -2.229 1.00 0.00 O ATOM 714 CB TYR A 48 -14.325 0.553 -3.127 1.00 0.00 C ATOM 715 CG TYR A 48 -13.436 0.376 -4.337 1.00 0.00 C ATOM 716 CD1 TYR A 48 -13.531 1.230 -5.428 1.00 0.00 C ATOM 717 CD2 TYR A 48 -12.500 -0.648 -4.385 1.00 0.00 C ATOM 718 CE1 TYR A 48 -12.718 1.068 -6.533 1.00 0.00 C ATOM 719 CE2 TYR A 48 -11.683 -0.816 -5.486 1.00 0.00 C ATOM 720 CZ TYR A 48 -11.796 0.044 -6.556 1.00 0.00 C ATOM 721 OH TYR A 48 -10.984 -0.120 -7.653 1.00 0.00 O ATOM 0 H TYR A 48 -15.538 2.522 -3.960 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.002 -0.185 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.091 1.506 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -14.095 -0.228 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.252 2.034 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.409 -1.324 -3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.804 1.740 -7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.959 -1.617 -5.508 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.759 -1.068 -7.754 1.00 0.00 H new ATOM 731 N TYR A 49 -16.637 0.840 -1.178 1.00 0.00 N ATOM 732 CA TYR A 49 -17.325 0.470 0.056 1.00 0.00 C ATOM 733 C TYR A 49 -18.795 0.136 -0.203 1.00 0.00 C ATOM 734 O TYR A 49 -19.444 -0.510 0.620 1.00 0.00 O ATOM 735 CB TYR A 49 -17.193 1.591 1.098 1.00 0.00 C ATOM 736 CG TYR A 49 -18.413 2.479 1.234 1.00 0.00 C ATOM 737 CD1 TYR A 49 -18.621 3.546 0.369 1.00 0.00 C ATOM 738 CD2 TYR A 49 -19.351 2.254 2.236 1.00 0.00 C ATOM 739 CE1 TYR A 49 -19.729 4.362 0.498 1.00 0.00 C ATOM 740 CE2 TYR A 49 -20.462 3.066 2.369 1.00 0.00 C ATOM 741 CZ TYR A 49 -20.646 4.118 1.497 1.00 0.00 C ATOM 742 OH TYR A 49 -21.750 4.930 1.626 1.00 0.00 O ATOM 0 H TYR A 49 -16.208 1.765 -1.162 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.850 -0.428 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -16.977 1.143 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.336 2.212 0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.906 3.741 -0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -19.209 1.431 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.876 5.188 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -21.182 2.877 3.152 1.00 0.00 H new ATOM 0 HH TYR A 49 -22.297 4.621 2.378 1.00 0.00 H new ATOM 752 N LEU A 50 -19.315 0.576 -1.346 1.00 0.00 N ATOM 753 CA LEU A 50 -20.705 0.309 -1.700 1.00 0.00 C ATOM 754 C LEU A 50 -20.858 -1.092 -2.284 1.00 0.00 C ATOM 755 O LEU A 50 -21.797 -1.815 -1.952 1.00 0.00 O ATOM 756 CB LEU A 50 -21.219 1.347 -2.703 1.00 0.00 C ATOM 757 CG LEU A 50 -21.374 2.766 -2.156 1.00 0.00 C ATOM 758 CD1 LEU A 50 -21.699 3.737 -3.281 1.00 0.00 C ATOM 759 CD2 LEU A 50 -22.455 2.809 -1.085 1.00 0.00 C ATOM 0 H LEU A 50 -18.797 1.116 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 50 -21.298 0.375 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -20.537 1.376 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -22.185 1.014 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 50 -20.429 3.067 -1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.806 4.743 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -20.893 3.726 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.631 3.439 -3.761 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.552 3.827 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -23.405 2.489 -1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.183 2.142 -0.267 1.00 0.00 H new ATOM 771 N GLU A 51 -19.928 -1.469 -3.157 1.00 0.00 N ATOM 772 CA GLU A 51 -19.962 -2.783 -3.792 1.00 0.00 C ATOM 773 C GLU A 51 -19.743 -3.894 -2.768 1.00 0.00 C ATOM 774 O GLU A 51 -20.411 -4.928 -2.810 1.00 0.00 O ATOM 775 CB GLU A 51 -18.900 -2.869 -4.890 1.00 0.00 C ATOM 776 CG GLU A 51 -19.094 -1.855 -6.005 1.00 0.00 C ATOM 777 CD GLU A 51 -20.402 -2.050 -6.748 1.00 0.00 C ATOM 778 OE1 GLU A 51 -20.418 -2.826 -7.726 1.00 0.00 O ATOM 779 OE2 GLU A 51 -21.407 -1.425 -6.352 1.00 0.00 O ATOM 0 H GLU A 51 -19.142 -0.884 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.948 -2.916 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.916 -2.723 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -18.911 -3.872 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.065 -0.849 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.265 -1.931 -6.709 1.00 0.00 H new ATOM 786 N PHE A 52 -18.807 -3.675 -1.850 1.00 0.00 N ATOM 787 CA PHE A 52 -18.506 -4.661 -0.818 1.00 0.00 C ATOM 788 C PHE A 52 -19.605 -4.701 0.238 1.00 0.00 C ATOM 789 O PHE A 52 -19.553 -3.978 1.233 1.00 0.00 O ATOM 790 CB PHE A 52 -17.156 -4.359 -0.163 1.00 0.00 C ATOM 791 CG PHE A 52 -15.977 -4.698 -1.031 1.00 0.00 C ATOM 792 CD1 PHE A 52 -15.463 -3.768 -1.921 1.00 0.00 C ATOM 793 CD2 PHE A 52 -15.384 -5.947 -0.958 1.00 0.00 C ATOM 794 CE1 PHE A 52 -14.378 -4.077 -2.720 1.00 0.00 C ATOM 795 CE2 PHE A 52 -14.300 -6.264 -1.753 1.00 0.00 C ATOM 796 CZ PHE A 52 -13.796 -5.327 -2.636 1.00 0.00 C ATOM 0 H PHE A 52 -18.245 -2.825 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 52 -18.454 -5.640 -1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -17.115 -3.301 0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -17.082 -4.917 0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -15.916 -2.790 -1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -15.774 -6.683 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.986 -3.343 -3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.847 -7.242 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.949 -5.572 -3.259 1.00 0.00 H new ATOM 806 N GLU A 53 -20.606 -5.545 0.004 1.00 0.00 N ATOM 807 CA GLU A 53 -21.723 -5.690 0.931 1.00 0.00 C ATOM 808 C GLU A 53 -21.639 -7.020 1.671 1.00 0.00 C ATOM 809 O GLU A 53 -21.156 -8.013 1.128 1.00 0.00 O ATOM 810 CB GLU A 53 -23.052 -5.597 0.180 1.00 0.00 C ATOM 811 CG GLU A 53 -23.257 -4.275 -0.541 1.00 0.00 C ATOM 812 CD GLU A 53 -24.563 -4.230 -1.309 1.00 0.00 C ATOM 813 OE1 GLU A 53 -25.592 -3.859 -0.708 1.00 0.00 O ATOM 814 OE2 GLU A 53 -24.556 -4.566 -2.512 1.00 0.00 O ATOM 0 H GLU A 53 -20.666 -6.140 -0.822 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.668 -4.881 1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.106 -6.408 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.869 -5.746 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.238 -3.462 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.428 -4.108 -1.229 1.00 0.00 H new ATOM 821 N ASP A 54 -22.113 -7.035 2.913 1.00 0.00 N ATOM 822 CA ASP A 54 -22.090 -8.247 3.722 1.00 0.00 C ATOM 823 C ASP A 54 -23.134 -9.246 3.233 1.00 0.00 C ATOM 824 O ASP A 54 -24.304 -9.170 3.609 1.00 0.00 O ATOM 825 CB ASP A 54 -22.336 -7.909 5.194 1.00 0.00 C ATOM 826 CG ASP A 54 -22.407 -9.147 6.066 1.00 0.00 C ATOM 827 OD1 ASP A 54 -21.340 -9.713 6.382 1.00 0.00 O ATOM 828 OD2 ASP A 54 -23.531 -9.552 6.429 1.00 0.00 O ATOM 0 H ASP A 54 -22.517 -6.223 3.380 1.00 0.00 H new ATOM 0 HA ASP A 54 -21.105 -8.702 3.623 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.538 -7.260 5.553 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -23.267 -7.350 5.285 1.00 0.00 H new ATOM 833 N THR A 55 -22.702 -10.178 2.388 1.00 0.00 N ATOM 834 CA THR A 55 -23.597 -11.192 1.843 1.00 0.00 C ATOM 835 C THR A 55 -22.916 -12.555 1.781 1.00 0.00 C ATOM 836 O THR A 55 -21.780 -12.715 2.230 1.00 0.00 O ATOM 837 CB THR A 55 -24.081 -10.812 0.432 1.00 0.00 C ATOM 838 OG1 THR A 55 -22.957 -10.604 -0.431 1.00 0.00 O ATOM 839 CG2 THR A 55 -24.935 -9.554 0.472 1.00 0.00 C ATOM 0 H THR A 55 -21.737 -10.251 2.066 1.00 0.00 H new ATOM 0 HA THR A 55 -24.454 -11.248 2.514 1.00 0.00 H new ATOM 0 HB THR A 55 -24.688 -11.631 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.273 -10.364 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.265 -9.306 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.805 -9.725 1.106 1.00 0.00 H new ATOM 0 HG23 THR A 55 -24.348 -8.729 0.875 1.00 0.00 H new ATOM 847 N GLU A 56 -23.618 -13.536 1.220 1.00 0.00 N ATOM 848 CA GLU A 56 -23.086 -14.889 1.095 1.00 0.00 C ATOM 849 C GLU A 56 -22.780 -15.222 -0.361 1.00 0.00 C ATOM 850 O GLU A 56 -21.875 -16.004 -0.652 1.00 0.00 O ATOM 851 CB GLU A 56 -24.080 -15.905 1.662 1.00 0.00 C ATOM 852 CG GLU A 56 -25.437 -15.878 0.977 1.00 0.00 C ATOM 853 CD GLU A 56 -26.381 -16.936 1.512 1.00 0.00 C ATOM 854 OE1 GLU A 56 -27.081 -16.658 2.508 1.00 0.00 O ATOM 855 OE2 GLU A 56 -26.420 -18.042 0.934 1.00 0.00 O ATOM 0 H GLU A 56 -24.559 -13.418 0.844 1.00 0.00 H new ATOM 0 HA GLU A 56 -22.158 -14.940 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -23.656 -16.905 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -24.216 -15.713 2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -25.887 -14.894 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -25.302 -16.025 -0.095 1.00 0.00 H new ATOM 862 N GLU A 57 -23.541 -14.623 -1.273 1.00 0.00 N ATOM 863 CA GLU A 57 -23.356 -14.856 -2.700 1.00 0.00 C ATOM 864 C GLU A 57 -22.220 -14.001 -3.253 1.00 0.00 C ATOM 865 O GLU A 57 -22.260 -12.772 -3.174 1.00 0.00 O ATOM 866 CB GLU A 57 -24.649 -14.553 -3.457 1.00 0.00 C ATOM 867 CG GLU A 57 -25.833 -15.388 -2.998 1.00 0.00 C ATOM 868 CD GLU A 57 -27.139 -14.940 -3.621 1.00 0.00 C ATOM 869 OE1 GLU A 57 -27.477 -15.436 -4.717 1.00 0.00 O ATOM 870 OE2 GLU A 57 -27.827 -14.094 -3.012 1.00 0.00 O ATOM 0 H GLU A 57 -24.293 -13.972 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 57 -23.095 -15.905 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -24.891 -13.497 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -24.486 -14.724 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -25.655 -16.433 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -25.914 -15.331 -1.913 1.00 0.00 H new ATOM 877 N ASN A 58 -21.210 -14.658 -3.812 1.00 0.00 N ATOM 878 CA ASN A 58 -20.065 -13.959 -4.381 1.00 0.00 C ATOM 879 C ASN A 58 -20.280 -13.687 -5.867 1.00 0.00 C ATOM 880 O ASN A 58 -20.502 -14.610 -6.651 1.00 0.00 O ATOM 881 CB ASN A 58 -18.790 -14.779 -4.180 1.00 0.00 C ATOM 882 CG ASN A 58 -17.550 -14.040 -4.646 1.00 0.00 C ATOM 883 OD1 ASN A 58 -17.146 -14.146 -5.804 1.00 0.00 O ATOM 884 ND2 ASN A 58 -16.938 -13.284 -3.740 1.00 0.00 N ATOM 0 H ASN A 58 -21.161 -15.674 -3.883 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.959 -13.004 -3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.685 -15.030 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -18.876 -15.719 -4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.099 -12.763 -3.994 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.308 -13.225 -2.791 1.00 0.00 H new ATOM 891 N LYS A 59 -20.213 -12.415 -6.246 1.00 0.00 N ATOM 892 CA LYS A 59 -20.402 -12.023 -7.639 1.00 0.00 C ATOM 893 C LYS A 59 -19.065 -11.938 -8.367 1.00 0.00 C ATOM 894 O LYS A 59 -18.006 -11.894 -7.741 1.00 0.00 O ATOM 895 CB LYS A 59 -21.129 -10.680 -7.715 1.00 0.00 C ATOM 896 CG LYS A 59 -22.524 -10.711 -7.108 1.00 0.00 C ATOM 897 CD LYS A 59 -23.202 -9.351 -7.186 1.00 0.00 C ATOM 898 CE LYS A 59 -22.515 -8.328 -6.296 1.00 0.00 C ATOM 899 NZ LYS A 59 -23.185 -7.000 -6.356 1.00 0.00 N ATOM 0 H LYS A 59 -20.030 -11.639 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 59 -21.010 -12.784 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.535 -9.924 -7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.202 -10.374 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.131 -11.451 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -22.461 -11.027 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -23.194 -8.999 -8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -24.247 -9.448 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.512 -8.687 -5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -21.474 -8.223 -6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.686 -6.331 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.166 -6.645 -7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.172 -7.094 -6.041 1.00 0.00 H new ATOM 913 N LEU A 60 -19.121 -11.917 -9.696 1.00 0.00 N ATOM 914 CA LEU A 60 -17.914 -11.838 -10.513 1.00 0.00 C ATOM 915 C LEU A 60 -17.398 -10.404 -10.591 1.00 0.00 C ATOM 916 O LEU A 60 -16.274 -10.167 -11.033 1.00 0.00 O ATOM 917 CB LEU A 60 -18.186 -12.368 -11.923 1.00 0.00 C ATOM 918 CG LEU A 60 -18.377 -13.884 -12.032 1.00 0.00 C ATOM 919 CD1 LEU A 60 -19.693 -14.311 -11.400 1.00 0.00 C ATOM 920 CD2 LEU A 60 -18.317 -14.320 -13.488 1.00 0.00 C ATOM 0 H LEU A 60 -19.989 -11.954 -10.230 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.150 -12.456 -10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -19.079 -11.878 -12.310 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.357 -12.076 -12.568 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.568 -14.372 -11.489 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -19.806 -15.391 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -19.698 -14.032 -10.346 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.519 -13.816 -11.910 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.454 -15.400 -13.550 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -19.106 -13.821 -14.050 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.347 -14.053 -13.908 1.00 0.00 H new ATOM 932 N ILE A 61 -18.223 -9.453 -10.162 1.00 0.00 N ATOM 933 CA ILE A 61 -17.849 -8.042 -10.188 1.00 0.00 C ATOM 934 C ILE A 61 -16.695 -7.760 -9.226 1.00 0.00 C ATOM 935 O ILE A 61 -16.058 -6.706 -9.290 1.00 0.00 O ATOM 936 CB ILE A 61 -19.052 -7.139 -9.832 1.00 0.00 C ATOM 937 CG1 ILE A 61 -18.713 -5.664 -10.058 1.00 0.00 C ATOM 938 CG2 ILE A 61 -19.486 -7.371 -8.392 1.00 0.00 C ATOM 939 CD1 ILE A 61 -18.444 -5.315 -11.507 1.00 0.00 C ATOM 0 H ILE A 61 -19.156 -9.634 -9.792 1.00 0.00 H new ATOM 0 HA ILE A 61 -17.526 -7.813 -11.203 1.00 0.00 H new ATOM 0 HB ILE A 61 -19.880 -7.402 -10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -19.537 -5.051 -9.693 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -17.837 -5.407 -9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.334 -6.727 -8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -19.776 -8.414 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -18.659 -7.139 -7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -18.211 -4.253 -11.588 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -17.600 -5.901 -11.872 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -19.327 -5.540 -12.105 1.00 0.00 H new ATOM 951 N TYR A 62 -16.420 -8.717 -8.348 1.00 0.00 N ATOM 952 CA TYR A 62 -15.347 -8.574 -7.371 1.00 0.00 C ATOM 953 C TYR A 62 -13.972 -8.615 -8.039 1.00 0.00 C ATOM 954 O TYR A 62 -13.010 -8.040 -7.525 1.00 0.00 O ATOM 955 CB TYR A 62 -15.447 -9.674 -6.311 1.00 0.00 C ATOM 956 CG TYR A 62 -16.589 -9.478 -5.340 1.00 0.00 C ATOM 957 CD1 TYR A 62 -17.911 -9.571 -5.760 1.00 0.00 C ATOM 958 CD2 TYR A 62 -16.347 -9.198 -4.000 1.00 0.00 C ATOM 959 CE1 TYR A 62 -18.957 -9.391 -4.873 1.00 0.00 C ATOM 960 CE2 TYR A 62 -17.386 -9.017 -3.108 1.00 0.00 C ATOM 961 CZ TYR A 62 -18.689 -9.115 -3.549 1.00 0.00 C ATOM 962 OH TYR A 62 -19.727 -8.935 -2.663 1.00 0.00 O ATOM 0 H TYR A 62 -16.925 -9.601 -8.292 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.460 -7.601 -6.893 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.566 -10.637 -6.809 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -14.511 -9.716 -5.754 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -18.125 -9.787 -6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.328 -9.121 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -19.978 -9.466 -5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.179 -8.800 -2.071 1.00 0.00 H new ATOM 0 HH TYR A 62 -19.367 -8.749 -1.771 1.00 0.00 H new ATOM 972 N THR A 63 -13.879 -9.284 -9.188 1.00 0.00 N ATOM 973 CA THR A 63 -12.606 -9.389 -9.900 1.00 0.00 C ATOM 974 C THR A 63 -12.216 -8.065 -10.568 1.00 0.00 C ATOM 975 O THR A 63 -11.104 -7.579 -10.361 1.00 0.00 O ATOM 976 CB THR A 63 -12.623 -10.516 -10.956 1.00 0.00 C ATOM 977 OG1 THR A 63 -12.955 -11.764 -10.335 1.00 0.00 O ATOM 978 CG2 THR A 63 -11.269 -10.634 -11.642 1.00 0.00 C ATOM 0 H THR A 63 -14.661 -9.757 -9.642 1.00 0.00 H new ATOM 0 HA THR A 63 -11.858 -9.634 -9.146 1.00 0.00 H new ATOM 0 HB THR A 63 -13.375 -10.270 -11.706 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.965 -12.473 -11.011 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.304 -11.434 -12.382 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.028 -9.693 -12.137 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.503 -10.860 -10.900 1.00 0.00 H new ATOM 986 N PRO A 64 -13.110 -7.454 -11.380 1.00 0.00 N ATOM 987 CA PRO A 64 -12.808 -6.181 -12.044 1.00 0.00 C ATOM 988 C PRO A 64 -12.503 -5.074 -11.043 1.00 0.00 C ATOM 989 O PRO A 64 -11.542 -4.322 -11.209 1.00 0.00 O ATOM 990 CB PRO A 64 -14.086 -5.852 -12.825 1.00 0.00 C ATOM 991 CG PRO A 64 -14.816 -7.145 -12.944 1.00 0.00 C ATOM 992 CD PRO A 64 -14.456 -7.941 -11.724 1.00 0.00 C ATOM 0 HA PRO A 64 -11.924 -6.259 -12.677 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.686 -5.108 -12.302 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.852 -5.440 -13.807 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.892 -6.981 -12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.527 -7.673 -13.853 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.163 -7.773 -10.912 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.455 -9.012 -11.929 1.00 0.00 H new ATOM 1000 N ILE A 65 -13.329 -4.978 -10.003 1.00 0.00 N ATOM 1001 CA ILE A 65 -13.143 -3.962 -8.973 1.00 0.00 C ATOM 1002 C ILE A 65 -11.760 -4.075 -8.335 1.00 0.00 C ATOM 1003 O ILE A 65 -11.065 -3.074 -8.159 1.00 0.00 O ATOM 1004 CB ILE A 65 -14.223 -4.069 -7.878 1.00 0.00 C ATOM 1005 CG1 ILE A 65 -15.608 -3.817 -8.477 1.00 0.00 C ATOM 1006 CG2 ILE A 65 -13.940 -3.085 -6.751 1.00 0.00 C ATOM 1007 CD1 ILE A 65 -16.745 -4.076 -7.510 1.00 0.00 C ATOM 0 H ILE A 65 -14.131 -5.590 -9.853 1.00 0.00 H new ATOM 0 HA ILE A 65 -13.233 -2.991 -9.461 1.00 0.00 H new ATOM 0 HB ILE A 65 -14.201 -5.077 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -15.663 -2.784 -8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -15.736 -4.452 -9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -14.712 -3.175 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -12.967 -3.306 -6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -13.937 -2.069 -7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -17.696 -3.876 -8.004 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -16.716 -5.116 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -16.642 -3.422 -6.644 1.00 0.00 H new ATOM 1019 N PHE A 66 -11.369 -5.298 -7.990 1.00 0.00 N ATOM 1020 CA PHE A 66 -10.068 -5.539 -7.374 1.00 0.00 C ATOM 1021 C PHE A 66 -8.936 -5.154 -8.322 1.00 0.00 C ATOM 1022 O PHE A 66 -7.946 -4.546 -7.910 1.00 0.00 O ATOM 1023 CB PHE A 66 -9.934 -7.010 -6.972 1.00 0.00 C ATOM 1024 CG PHE A 66 -8.626 -7.336 -6.309 1.00 0.00 C ATOM 1025 CD1 PHE A 66 -8.397 -6.983 -4.989 1.00 0.00 C ATOM 1026 CD2 PHE A 66 -7.627 -7.996 -7.005 1.00 0.00 C ATOM 1027 CE1 PHE A 66 -7.196 -7.282 -4.376 1.00 0.00 C ATOM 1028 CE2 PHE A 66 -6.424 -8.298 -6.398 1.00 0.00 C ATOM 1029 CZ PHE A 66 -6.208 -7.941 -5.081 1.00 0.00 C ATOM 0 H PHE A 66 -11.933 -6.137 -8.126 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.997 -4.918 -6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.749 -7.269 -6.296 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.047 -7.632 -7.860 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.166 -6.468 -4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.791 -8.278 -8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.030 -7.001 -3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.653 -8.813 -6.952 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.268 -8.177 -4.604 1.00 0.00 H new ATOM 1039 N ASN A 67 -9.090 -5.507 -9.595 1.00 0.00 N ATOM 1040 CA ASN A 67 -8.080 -5.200 -10.600 1.00 0.00 C ATOM 1041 C ASN A 67 -7.951 -3.694 -10.790 1.00 0.00 C ATOM 1042 O ASN A 67 -6.909 -3.196 -11.217 1.00 0.00 O ATOM 1043 CB ASN A 67 -8.430 -5.866 -11.933 1.00 0.00 C ATOM 1044 CG ASN A 67 -8.176 -7.362 -11.928 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -7.838 -7.946 -12.957 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -8.337 -7.994 -10.769 1.00 0.00 N ATOM 0 H ASN A 67 -9.904 -6.006 -9.954 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.125 -5.591 -10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.480 -5.681 -12.162 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.845 -5.405 -12.729 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.179 -9.000 -10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.618 -7.473 -9.939 1.00 0.00 H new ATOM 1053 N GLU A 68 -9.020 -2.974 -10.464 1.00 0.00 N ATOM 1054 CA GLU A 68 -9.035 -1.523 -10.592 1.00 0.00 C ATOM 1055 C GLU A 68 -8.264 -0.873 -9.449 1.00 0.00 C ATOM 1056 O GLU A 68 -7.592 0.141 -9.638 1.00 0.00 O ATOM 1057 CB GLU A 68 -10.476 -1.008 -10.608 1.00 0.00 C ATOM 1058 CG GLU A 68 -10.582 0.506 -10.705 1.00 0.00 C ATOM 1059 CD GLU A 68 -9.997 1.051 -11.993 1.00 0.00 C ATOM 1060 OE1 GLU A 68 -8.786 1.352 -12.015 1.00 0.00 O ATOM 1061 OE2 GLU A 68 -10.752 1.175 -12.981 1.00 0.00 O ATOM 0 H GLU A 68 -9.888 -3.374 -10.109 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.551 -1.258 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.003 -1.455 -11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.982 -1.342 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.630 0.798 -10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.067 0.957 -9.857 1.00 0.00 H new ATOM 1068 N TYR A 69 -8.369 -1.463 -8.264 1.00 0.00 N ATOM 1069 CA TYR A 69 -7.685 -0.946 -7.084 1.00 0.00 C ATOM 1070 C TYR A 69 -6.172 -1.072 -7.234 1.00 0.00 C ATOM 1071 O TYR A 69 -5.421 -0.189 -6.820 1.00 0.00 O ATOM 1072 CB TYR A 69 -8.152 -1.699 -5.836 1.00 0.00 C ATOM 1073 CG TYR A 69 -7.603 -1.143 -4.542 1.00 0.00 C ATOM 1074 CD1 TYR A 69 -8.226 -0.081 -3.900 1.00 0.00 C ATOM 1075 CD2 TYR A 69 -6.462 -1.683 -3.961 1.00 0.00 C ATOM 1076 CE1 TYR A 69 -7.729 0.428 -2.715 1.00 0.00 C ATOM 1077 CE2 TYR A 69 -5.959 -1.180 -2.777 1.00 0.00 C ATOM 1078 CZ TYR A 69 -6.595 -0.125 -2.158 1.00 0.00 C ATOM 1079 OH TYR A 69 -6.096 0.379 -0.978 1.00 0.00 O ATOM 0 H TYR A 69 -8.923 -2.302 -8.094 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.933 0.110 -6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.241 -1.676 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.858 -2.745 -5.924 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.114 0.355 -4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.960 -2.509 -4.443 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.226 1.254 -2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.071 -1.611 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.294 -0.123 -0.721 1.00 0.00 H new ATOM 1089 N ILE A 70 -5.730 -2.174 -7.828 1.00 0.00 N ATOM 1090 CA ILE A 70 -4.305 -2.416 -8.027 1.00 0.00 C ATOM 1091 C ILE A 70 -3.736 -1.535 -9.137 1.00 0.00 C ATOM 1092 O ILE A 70 -2.658 -0.963 -8.998 1.00 0.00 O ATOM 1093 CB ILE A 70 -4.030 -3.894 -8.369 1.00 0.00 C ATOM 1094 CG1 ILE A 70 -4.629 -4.814 -7.299 1.00 0.00 C ATOM 1095 CG2 ILE A 70 -2.534 -4.138 -8.515 1.00 0.00 C ATOM 1096 CD1 ILE A 70 -4.042 -4.611 -5.916 1.00 0.00 C ATOM 0 H ILE A 70 -6.337 -2.914 -8.180 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.812 -2.166 -7.087 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.508 -4.123 -9.322 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.706 -4.650 -7.254 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.477 -5.851 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.358 -5.186 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.139 -3.511 -9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.032 -3.892 -7.579 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.517 -5.298 -5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.970 -4.804 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.217 -3.585 -5.593 1.00 0.00 H new ATOM 1108 N SER A 71 -4.466 -1.426 -10.239 1.00 0.00 N ATOM 1109 CA SER A 71 -4.014 -0.624 -11.371 1.00 0.00 C ATOM 1110 C SER A 71 -4.052 0.871 -11.059 1.00 0.00 C ATOM 1111 O SER A 71 -3.222 1.634 -11.549 1.00 0.00 O ATOM 1112 CB SER A 71 -4.875 -0.917 -12.600 1.00 0.00 C ATOM 1113 OG SER A 71 -4.793 -2.283 -12.968 1.00 0.00 O ATOM 0 H SER A 71 -5.369 -1.880 -10.374 1.00 0.00 H new ATOM 0 HA SER A 71 -2.979 -0.898 -11.574 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.912 -0.655 -12.392 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.550 -0.293 -13.432 1.00 0.00 H new ATOM 0 HG SER A 71 -5.458 -2.798 -12.464 1.00 0.00 H new ATOM 1119 N LEU A 72 -5.022 1.287 -10.252 1.00 0.00 N ATOM 1120 CA LEU A 72 -5.168 2.697 -9.901 1.00 0.00 C ATOM 1121 C LEU A 72 -4.378 3.079 -8.646 1.00 0.00 C ATOM 1122 O LEU A 72 -3.482 3.921 -8.702 1.00 0.00 O ATOM 1123 CB LEU A 72 -6.654 3.035 -9.716 1.00 0.00 C ATOM 1124 CG LEU A 72 -6.987 4.509 -9.431 1.00 0.00 C ATOM 1125 CD1 LEU A 72 -6.883 4.807 -7.944 1.00 0.00 C ATOM 1126 CD2 LEU A 72 -6.083 5.444 -10.228 1.00 0.00 C ATOM 0 H LEU A 72 -5.717 0.671 -9.829 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.754 3.280 -10.724 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.189 2.731 -10.616 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.043 2.432 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.015 4.684 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.123 5.855 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.583 4.176 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.868 4.604 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.343 6.479 -10.005 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.043 5.264 -9.956 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.216 5.258 -11.294 1.00 0.00 H new ATOM 1138 N VAL A 73 -4.714 2.459 -7.518 1.00 0.00 N ATOM 1139 CA VAL A 73 -4.068 2.770 -6.244 1.00 0.00 C ATOM 1140 C VAL A 73 -2.625 2.273 -6.160 1.00 0.00 C ATOM 1141 O VAL A 73 -1.703 3.071 -5.986 1.00 0.00 O ATOM 1142 CB VAL A 73 -4.864 2.193 -5.060 1.00 0.00 C ATOM 1143 CG1 VAL A 73 -4.245 2.620 -3.736 1.00 0.00 C ATOM 1144 CG2 VAL A 73 -6.322 2.622 -5.141 1.00 0.00 C ATOM 0 H VAL A 73 -5.432 1.736 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.050 3.858 -6.188 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.824 1.105 -5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.823 2.201 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.219 2.257 -3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.249 3.708 -3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.871 2.206 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.383 3.710 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.757 2.258 -6.072 1.00 0.00 H new ATOM 1154 N GLU A 74 -2.428 0.960 -6.275 1.00 0.00 N ATOM 1155 CA GLU A 74 -1.087 0.383 -6.181 1.00 0.00 C ATOM 1156 C GLU A 74 -0.119 1.089 -7.126 1.00 0.00 C ATOM 1157 O GLU A 74 1.012 1.406 -6.748 1.00 0.00 O ATOM 1158 CB GLU A 74 -1.123 -1.118 -6.487 1.00 0.00 C ATOM 1159 CG GLU A 74 0.137 -1.864 -6.072 1.00 0.00 C ATOM 1160 CD GLU A 74 1.309 -1.602 -6.999 1.00 0.00 C ATOM 1161 OE1 GLU A 74 1.277 -2.093 -8.147 1.00 0.00 O ATOM 1162 OE2 GLU A 74 2.259 -0.912 -6.575 1.00 0.00 O ATOM 0 H GLU A 74 -3.173 0.281 -6.432 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.733 0.525 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.980 -1.562 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.280 -1.257 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.409 -1.571 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.071 -2.934 -6.050 1.00 0.00 H new ATOM 1169 N LYS A 75 -0.565 1.343 -8.350 1.00 0.00 N ATOM 1170 CA LYS A 75 0.267 2.019 -9.336 1.00 0.00 C ATOM 1171 C LYS A 75 0.575 3.444 -8.884 1.00 0.00 C ATOM 1172 O LYS A 75 1.699 3.923 -9.032 1.00 0.00 O ATOM 1173 CB LYS A 75 -0.429 2.033 -10.699 1.00 0.00 C ATOM 1174 CG LYS A 75 0.524 2.096 -11.885 1.00 0.00 C ATOM 1175 CD LYS A 75 1.125 3.482 -12.055 1.00 0.00 C ATOM 1176 CE LYS A 75 1.954 3.575 -13.326 1.00 0.00 C ATOM 1177 NZ LYS A 75 3.076 2.595 -13.334 1.00 0.00 N ATOM 0 H LYS A 75 -1.496 1.092 -8.683 1.00 0.00 H new ATOM 0 HA LYS A 75 1.206 1.474 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.045 1.138 -10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.102 2.889 -10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.323 1.368 -11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.009 1.817 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.328 4.225 -12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.750 3.718 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.313 3.400 -14.190 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.354 4.584 -13.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.703 2.792 -14.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.615 2.677 -12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.695 1.631 -13.420 1.00 0.00 H new ATOM 1191 N TYR A 76 -0.433 4.115 -8.326 1.00 0.00 N ATOM 1192 CA TYR A 76 -0.270 5.483 -7.847 1.00 0.00 C ATOM 1193 C TYR A 76 0.891 5.584 -6.863 1.00 0.00 C ATOM 1194 O TYR A 76 1.754 6.454 -6.994 1.00 0.00 O ATOM 1195 CB TYR A 76 -1.559 5.971 -7.185 1.00 0.00 C ATOM 1196 CG TYR A 76 -1.490 7.405 -6.709 1.00 0.00 C ATOM 1197 CD1 TYR A 76 -1.648 8.459 -7.598 1.00 0.00 C ATOM 1198 CD2 TYR A 76 -1.266 7.703 -5.370 1.00 0.00 C ATOM 1199 CE1 TYR A 76 -1.584 9.772 -7.168 1.00 0.00 C ATOM 1200 CE2 TYR A 76 -1.202 9.012 -4.932 1.00 0.00 C ATOM 1201 CZ TYR A 76 -1.361 10.042 -5.835 1.00 0.00 C ATOM 1202 OH TYR A 76 -1.297 11.346 -5.402 1.00 0.00 O ATOM 0 H TYR A 76 -1.369 3.732 -8.196 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.048 6.116 -8.706 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -2.382 5.871 -7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -1.789 5.326 -6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.824 8.250 -8.643 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.140 6.899 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.708 10.581 -7.873 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.028 9.227 -3.888 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.381 11.950 -6.169 1.00 0.00 H new ATOM 1212 N ILE A 77 0.907 4.692 -5.874 1.00 0.00 N ATOM 1213 CA ILE A 77 1.966 4.685 -4.869 1.00 0.00 C ATOM 1214 C ILE A 77 3.336 4.528 -5.521 1.00 0.00 C ATOM 1215 O ILE A 77 4.285 5.232 -5.173 1.00 0.00 O ATOM 1216 CB ILE A 77 1.774 3.548 -3.843 1.00 0.00 C ATOM 1217 CG1 ILE A 77 0.387 3.632 -3.202 1.00 0.00 C ATOM 1218 CG2 ILE A 77 2.862 3.609 -2.779 1.00 0.00 C ATOM 1219 CD1 ILE A 77 0.083 2.485 -2.259 1.00 0.00 C ATOM 0 H ILE A 77 0.200 3.967 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 77 1.910 5.643 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 77 1.852 2.593 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.305 4.572 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.367 3.654 -3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.715 2.802 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.839 3.502 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.812 4.567 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.916 2.611 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.132 1.543 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.814 2.475 -1.451 1.00 0.00 H new ATOM 1231 N GLU A 78 3.429 3.600 -6.468 1.00 0.00 N ATOM 1232 CA GLU A 78 4.683 3.341 -7.167 1.00 0.00 C ATOM 1233 C GLU A 78 5.196 4.593 -7.872 1.00 0.00 C ATOM 1234 O GLU A 78 6.398 4.855 -7.889 1.00 0.00 O ATOM 1235 CB GLU A 78 4.499 2.210 -8.182 1.00 0.00 C ATOM 1236 CG GLU A 78 5.784 1.821 -8.896 1.00 0.00 C ATOM 1237 CD GLU A 78 5.563 0.753 -9.950 1.00 0.00 C ATOM 1238 OE1 GLU A 78 5.599 -0.445 -9.599 1.00 0.00 O ATOM 1239 OE2 GLU A 78 5.355 1.116 -11.127 1.00 0.00 O ATOM 0 H GLU A 78 2.650 3.014 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 78 5.423 3.043 -6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.098 1.335 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.759 2.514 -8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.217 2.705 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.507 1.461 -8.165 1.00 0.00 H new ATOM 1246 N GLU A 79 4.282 5.365 -8.452 1.00 0.00 N ATOM 1247 CA GLU A 79 4.654 6.585 -9.163 1.00 0.00 C ATOM 1248 C GLU A 79 5.216 7.634 -8.209 1.00 0.00 C ATOM 1249 O GLU A 79 6.230 8.268 -8.500 1.00 0.00 O ATOM 1250 CB GLU A 79 3.447 7.162 -9.905 1.00 0.00 C ATOM 1251 CG GLU A 79 2.922 6.261 -11.010 1.00 0.00 C ATOM 1252 CD GLU A 79 1.736 6.866 -11.737 1.00 0.00 C ATOM 1253 OE1 GLU A 79 0.590 6.644 -11.292 1.00 0.00 O ATOM 1254 OE2 GLU A 79 1.954 7.562 -12.751 1.00 0.00 O ATOM 0 H GLU A 79 3.281 5.169 -8.444 1.00 0.00 H new ATOM 0 HA GLU A 79 5.429 6.322 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.647 7.348 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.722 8.126 -10.334 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.721 6.065 -11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.632 5.300 -10.584 1.00 0.00 H new ATOM 1261 N GLN A 80 4.557 7.808 -7.069 1.00 0.00 N ATOM 1262 CA GLN A 80 4.985 8.792 -6.079 1.00 0.00 C ATOM 1263 C GLN A 80 6.415 8.529 -5.612 1.00 0.00 C ATOM 1264 O GLN A 80 7.183 9.465 -5.386 1.00 0.00 O ATOM 1265 CB GLN A 80 4.035 8.780 -4.878 1.00 0.00 C ATOM 1266 CG GLN A 80 2.607 9.173 -5.227 1.00 0.00 C ATOM 1267 CD GLN A 80 2.505 10.588 -5.762 1.00 0.00 C ATOM 1268 OE1 GLN A 80 2.600 10.815 -6.968 1.00 0.00 O ATOM 1269 NE2 GLN A 80 2.308 11.547 -4.866 1.00 0.00 N ATOM 0 H GLN A 80 3.724 7.281 -6.806 1.00 0.00 H new ATOM 0 HA GLN A 80 4.959 9.773 -6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.031 7.783 -4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.415 9.462 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.214 8.479 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.981 9.078 -4.340 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.235 11.313 -3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.229 12.518 -5.167 1.00 0.00 H new ATOM 1278 N LEU A 81 6.769 7.255 -5.468 1.00 0.00 N ATOM 1279 CA LEU A 81 8.109 6.881 -5.024 1.00 0.00 C ATOM 1280 C LEU A 81 9.130 7.000 -6.156 1.00 0.00 C ATOM 1281 O LEU A 81 10.244 7.480 -5.945 1.00 0.00 O ATOM 1282 CB LEU A 81 8.110 5.454 -4.468 1.00 0.00 C ATOM 1283 CG LEU A 81 7.317 5.258 -3.174 1.00 0.00 C ATOM 1284 CD1 LEU A 81 7.273 3.786 -2.794 1.00 0.00 C ATOM 1285 CD2 LEU A 81 7.920 6.082 -2.045 1.00 0.00 C ATOM 0 H LEU A 81 6.149 6.466 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 81 8.398 7.574 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.706 4.785 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.142 5.150 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 81 6.296 5.602 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.705 3.665 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.794 3.218 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.288 3.418 -2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.342 5.929 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.951 5.770 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.900 7.138 -2.314 1.00 0.00 H new ATOM 1297 N LEU A 82 8.748 6.561 -7.351 1.00 0.00 N ATOM 1298 CA LEU A 82 9.639 6.611 -8.509 1.00 0.00 C ATOM 1299 C LEU A 82 9.998 8.049 -8.876 1.00 0.00 C ATOM 1300 O LEU A 82 11.027 8.298 -9.503 1.00 0.00 O ATOM 1301 CB LEU A 82 8.995 5.914 -9.711 1.00 0.00 C ATOM 1302 CG LEU A 82 8.887 4.390 -9.605 1.00 0.00 C ATOM 1303 CD1 LEU A 82 8.165 3.824 -10.816 1.00 0.00 C ATOM 1304 CD2 LEU A 82 10.268 3.764 -9.466 1.00 0.00 C ATOM 0 H LEU A 82 7.828 6.166 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 82 10.557 6.088 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.995 6.323 -9.854 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.571 6.159 -10.603 1.00 0.00 H new ATOM 0 HG LEU A 82 8.309 4.147 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.097 2.740 -10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.162 4.247 -10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.717 4.078 -11.721 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.171 2.681 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.871 4.015 -10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.752 4.147 -8.568 1.00 0.00 H new ATOM 1316 N GLN A 83 9.146 8.992 -8.483 1.00 0.00 N ATOM 1317 CA GLN A 83 9.379 10.403 -8.778 1.00 0.00 C ATOM 1318 C GLN A 83 10.670 10.902 -8.135 1.00 0.00 C ATOM 1319 O GLN A 83 11.212 11.934 -8.531 1.00 0.00 O ATOM 1320 CB GLN A 83 8.199 11.252 -8.303 1.00 0.00 C ATOM 1321 CG GLN A 83 6.995 11.195 -9.229 1.00 0.00 C ATOM 1322 CD GLN A 83 5.798 11.945 -8.678 1.00 0.00 C ATOM 1323 OE1 GLN A 83 5.947 12.926 -7.949 1.00 0.00 O ATOM 1324 NE2 GLN A 83 4.601 11.484 -9.020 1.00 0.00 N ATOM 0 H GLN A 83 8.290 8.806 -7.961 1.00 0.00 H new ATOM 0 HA GLN A 83 9.478 10.500 -9.859 1.00 0.00 H new ATOM 0 HB2 GLN A 83 7.899 10.918 -7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.524 12.288 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.267 11.614 -10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.720 10.154 -9.398 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.523 10.668 -9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.759 11.946 -8.676 1.00 0.00 H new ATOM 1333 N ARG A 84 11.159 10.165 -7.142 1.00 0.00 N ATOM 1334 CA ARG A 84 12.384 10.543 -6.445 1.00 0.00 C ATOM 1335 C ARG A 84 13.421 9.426 -6.504 1.00 0.00 C ATOM 1336 O ARG A 84 14.620 9.672 -6.374 1.00 0.00 O ATOM 1337 CB ARG A 84 12.077 10.891 -4.988 1.00 0.00 C ATOM 1338 CG ARG A 84 11.064 12.013 -4.834 1.00 0.00 C ATOM 1339 CD ARG A 84 10.769 12.304 -3.372 1.00 0.00 C ATOM 1340 NE ARG A 84 9.774 13.360 -3.218 1.00 0.00 N ATOM 1341 CZ ARG A 84 9.361 13.820 -2.042 1.00 0.00 C ATOM 1342 NH1 ARG A 84 9.854 13.317 -0.919 1.00 0.00 N ATOM 1343 NH2 ARG A 84 8.454 14.786 -1.987 1.00 0.00 N ATOM 0 H ARG A 84 10.727 9.305 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 84 12.797 11.419 -6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.702 10.002 -4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.003 11.176 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.443 12.914 -5.316 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.140 11.743 -5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.413 11.396 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.690 12.596 -2.867 1.00 0.00 H new ATOM 0 HE ARG A 84 9.372 13.769 -4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.553 12.575 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.535 13.672 -0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.072 15.177 -2.848 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.138 15.138 -1.083 1.00 0.00 H new ATOM 1357 N ILE A 85 12.952 8.197 -6.700 1.00 0.00 N ATOM 1358 CA ILE A 85 13.841 7.045 -6.774 1.00 0.00 C ATOM 1359 C ILE A 85 13.545 6.200 -8.013 1.00 0.00 C ATOM 1360 O ILE A 85 12.702 5.305 -7.973 1.00 0.00 O ATOM 1361 CB ILE A 85 13.716 6.157 -5.519 1.00 0.00 C ATOM 1362 CG1 ILE A 85 13.796 7.014 -4.252 1.00 0.00 C ATOM 1363 CG2 ILE A 85 14.806 5.095 -5.515 1.00 0.00 C ATOM 1364 CD1 ILE A 85 13.522 6.245 -2.977 1.00 0.00 C ATOM 0 H ILE A 85 11.963 7.975 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 85 14.858 7.433 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 85 12.747 5.658 -5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 85 14.788 7.462 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.081 7.833 -4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.707 4.475 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.710 4.471 -6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 85 15.784 5.577 -5.514 1.00 0.00 H new ATOM 0 HD11 ILE A 85 13.597 6.918 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 85 12.519 5.820 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 85 14.253 5.443 -2.872 1.00 0.00 H new ATOM 1376 N PRO A 86 14.235 6.477 -9.137 1.00 0.00 N ATOM 1377 CA PRO A 86 14.038 5.732 -10.386 1.00 0.00 C ATOM 1378 C PRO A 86 14.627 4.328 -10.315 1.00 0.00 C ATOM 1379 O PRO A 86 14.514 3.547 -11.260 1.00 0.00 O ATOM 1380 CB PRO A 86 14.789 6.573 -11.419 1.00 0.00 C ATOM 1381 CG PRO A 86 15.854 7.258 -10.636 1.00 0.00 C ATOM 1382 CD PRO A 86 15.257 7.534 -9.283 1.00 0.00 C ATOM 0 HA PRO A 86 12.982 5.590 -10.618 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.213 5.950 -12.206 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.127 7.291 -11.903 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.741 6.631 -10.551 1.00 0.00 H new ATOM 0 HG3 PRO A 86 16.163 8.183 -11.123 1.00 0.00 H new ATOM 0 HD2 PRO A 86 16.007 7.479 -8.494 1.00 0.00 H new ATOM 0 HD3 PRO A 86 14.815 8.529 -9.234 1.00 0.00 H new ATOM 1390 N GLU A 87 15.253 4.019 -9.187 1.00 0.00 N ATOM 1391 CA GLU A 87 15.866 2.713 -8.980 1.00 0.00 C ATOM 1392 C GLU A 87 15.121 1.931 -7.904 1.00 0.00 C ATOM 1393 O GLU A 87 15.624 0.935 -7.382 1.00 0.00 O ATOM 1394 CB GLU A 87 17.335 2.877 -8.584 1.00 0.00 C ATOM 1395 CG GLU A 87 17.536 3.723 -7.340 1.00 0.00 C ATOM 1396 CD GLU A 87 18.997 3.890 -6.977 1.00 0.00 C ATOM 1397 OE1 GLU A 87 19.527 3.034 -6.238 1.00 0.00 O ATOM 1398 OE2 GLU A 87 19.613 4.877 -7.432 1.00 0.00 O ATOM 0 H GLU A 87 15.350 4.658 -8.398 1.00 0.00 H new ATOM 0 HA GLU A 87 15.808 2.156 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.770 1.892 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.878 3.330 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.090 4.705 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.008 3.264 -6.504 1.00 0.00 H new ATOM 1405 N PHE A 88 13.915 2.389 -7.581 1.00 0.00 N ATOM 1406 CA PHE A 88 13.093 1.739 -6.566 1.00 0.00 C ATOM 1407 C PHE A 88 12.355 0.537 -7.148 1.00 0.00 C ATOM 1408 O PHE A 88 11.978 0.534 -8.321 1.00 0.00 O ATOM 1409 CB PHE A 88 12.086 2.737 -5.986 1.00 0.00 C ATOM 1410 CG PHE A 88 11.230 2.163 -4.893 1.00 0.00 C ATOM 1411 CD1 PHE A 88 11.699 2.100 -3.591 1.00 0.00 C ATOM 1412 CD2 PHE A 88 9.957 1.689 -5.167 1.00 0.00 C ATOM 1413 CE1 PHE A 88 10.916 1.576 -2.582 1.00 0.00 C ATOM 1414 CE2 PHE A 88 9.168 1.163 -4.161 1.00 0.00 C ATOM 1415 CZ PHE A 88 9.648 1.107 -2.868 1.00 0.00 C ATOM 0 H PHE A 88 13.485 3.209 -8.008 1.00 0.00 H new ATOM 0 HA PHE A 88 13.750 1.387 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.626 3.600 -5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.442 3.098 -6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.689 2.465 -3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.577 1.731 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.294 1.533 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.177 0.796 -4.386 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.033 0.697 -2.081 1.00 0.00 H new ATOM 1425 N ASN A 89 12.154 -0.481 -6.318 1.00 0.00 N ATOM 1426 CA ASN A 89 11.457 -1.691 -6.741 1.00 0.00 C ATOM 1427 C ASN A 89 10.256 -1.960 -5.842 1.00 0.00 C ATOM 1428 O ASN A 89 10.402 -2.454 -4.725 1.00 0.00 O ATOM 1429 CB ASN A 89 12.407 -2.889 -6.718 1.00 0.00 C ATOM 1430 CG ASN A 89 13.580 -2.714 -7.660 1.00 0.00 C ATOM 1431 OD1 ASN A 89 14.620 -2.175 -7.281 1.00 0.00 O ATOM 1432 ND2 ASN A 89 13.419 -3.170 -8.896 1.00 0.00 N ATOM 0 H ASN A 89 12.464 -0.492 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 89 11.103 -1.542 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.778 -3.036 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.858 -3.790 -6.990 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.175 -3.080 -9.575 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.540 -3.610 -9.167 1.00 0.00 H new ATOM 1439 N MET A 90 9.069 -1.626 -6.337 1.00 0.00 N ATOM 1440 CA MET A 90 7.838 -1.824 -5.580 1.00 0.00 C ATOM 1441 C MET A 90 7.583 -3.305 -5.315 1.00 0.00 C ATOM 1442 O MET A 90 6.998 -3.672 -4.296 1.00 0.00 O ATOM 1443 CB MET A 90 6.654 -1.221 -6.337 1.00 0.00 C ATOM 1444 CG MET A 90 5.365 -1.192 -5.533 1.00 0.00 C ATOM 1445 SD MET A 90 5.458 -0.087 -4.111 1.00 0.00 S ATOM 1446 CE MET A 90 3.803 -0.256 -3.448 1.00 0.00 C ATOM 0 H MET A 90 8.933 -1.216 -7.261 1.00 0.00 H new ATOM 0 HA MET A 90 7.949 -1.321 -4.620 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.907 -0.204 -6.638 1.00 0.00 H new ATOM 0 HB3 MET A 90 6.489 -1.793 -7.250 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.545 -0.878 -6.179 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.132 -2.200 -5.190 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.701 0.369 -2.561 1.00 0.00 H new ATOM 0 HE2 MET A 90 3.077 0.057 -4.198 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.623 -1.297 -3.181 1.00 0.00 H new ATOM 1456 N ALA A 91 8.029 -4.151 -6.238 1.00 0.00 N ATOM 1457 CA ALA A 91 7.845 -5.592 -6.108 1.00 0.00 C ATOM 1458 C ALA A 91 8.721 -6.171 -5.002 1.00 0.00 C ATOM 1459 O ALA A 91 8.223 -6.790 -4.061 1.00 0.00 O ATOM 1460 CB ALA A 91 8.144 -6.281 -7.431 1.00 0.00 C ATOM 0 H ALA A 91 8.521 -3.863 -7.084 1.00 0.00 H new ATOM 0 HA ALA A 91 6.805 -5.772 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.003 -7.356 -7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.469 -5.903 -8.199 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.175 -6.078 -7.722 1.00 0.00 H new ATOM 1466 N ALA A 92 10.027 -5.966 -5.123 1.00 0.00 N ATOM 1467 CA ALA A 92 10.980 -6.471 -4.142 1.00 0.00 C ATOM 1468 C ALA A 92 10.779 -5.822 -2.777 1.00 0.00 C ATOM 1469 O ALA A 92 11.095 -6.415 -1.746 1.00 0.00 O ATOM 1470 CB ALA A 92 12.403 -6.243 -4.630 1.00 0.00 C ATOM 0 H ALA A 92 10.452 -5.451 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 92 10.806 -7.541 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.107 -6.624 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.552 -6.766 -5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.571 -5.176 -4.775 1.00 0.00 H new ATOM 1476 N PHE A 93 10.249 -4.603 -2.774 1.00 0.00 N ATOM 1477 CA PHE A 93 10.014 -3.877 -1.531 1.00 0.00 C ATOM 1478 C PHE A 93 8.873 -4.501 -0.733 1.00 0.00 C ATOM 1479 O PHE A 93 9.028 -4.803 0.448 1.00 0.00 O ATOM 1480 CB PHE A 93 9.705 -2.407 -1.824 1.00 0.00 C ATOM 1481 CG PHE A 93 9.473 -1.583 -0.589 1.00 0.00 C ATOM 1482 CD1 PHE A 93 10.520 -1.290 0.271 1.00 0.00 C ATOM 1483 CD2 PHE A 93 8.209 -1.105 -0.286 1.00 0.00 C ATOM 1484 CE1 PHE A 93 10.310 -0.534 1.409 1.00 0.00 C ATOM 1485 CE2 PHE A 93 7.992 -0.348 0.850 1.00 0.00 C ATOM 1486 CZ PHE A 93 9.043 -0.063 1.698 1.00 0.00 C ATOM 0 H PHE A 93 9.975 -4.098 -3.617 1.00 0.00 H new ATOM 0 HA PHE A 93 10.922 -3.939 -0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.532 -1.976 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.822 -2.350 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 93 11.511 -1.657 0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.383 -1.326 -0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 93 11.134 -0.312 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.002 0.020 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.876 0.528 2.587 1.00 0.00 H new ATOM 1496 N THR A 94 7.731 -4.689 -1.386 1.00 0.00 N ATOM 1497 CA THR A 94 6.562 -5.269 -0.734 1.00 0.00 C ATOM 1498 C THR A 94 6.850 -6.673 -0.210 1.00 0.00 C ATOM 1499 O THR A 94 6.491 -7.010 0.919 1.00 0.00 O ATOM 1500 CB THR A 94 5.357 -5.332 -1.691 1.00 0.00 C ATOM 1501 OG1 THR A 94 5.717 -6.029 -2.889 1.00 0.00 O ATOM 1502 CG2 THR A 94 4.869 -3.933 -2.039 1.00 0.00 C ATOM 0 H THR A 94 7.590 -4.448 -2.367 1.00 0.00 H new ATOM 0 HA THR A 94 6.322 -4.617 0.105 1.00 0.00 H new ATOM 0 HB THR A 94 4.551 -5.867 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.164 -5.412 -3.505 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.018 -4.003 -2.716 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.567 -3.416 -1.128 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.672 -3.377 -2.522 1.00 0.00 H new ATOM 1510 N THR A 95 7.499 -7.487 -1.037 1.00 0.00 N ATOM 1511 CA THR A 95 7.831 -8.856 -0.662 1.00 0.00 C ATOM 1512 C THR A 95 8.656 -8.899 0.621 1.00 0.00 C ATOM 1513 O THR A 95 8.341 -9.646 1.549 1.00 0.00 O ATOM 1514 CB THR A 95 8.607 -9.566 -1.785 1.00 0.00 C ATOM 1515 OG1 THR A 95 9.763 -8.800 -2.147 1.00 0.00 O ATOM 1516 CG2 THR A 95 7.723 -9.765 -3.006 1.00 0.00 C ATOM 0 H THR A 95 7.806 -7.221 -1.973 1.00 0.00 H new ATOM 0 HA THR A 95 6.887 -9.375 -0.493 1.00 0.00 H new ATOM 0 HB THR A 95 8.922 -10.543 -1.417 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.334 -9.330 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.291 -10.269 -3.788 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.860 -10.373 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.383 -8.796 -3.371 1.00 0.00 H new ATOM 1524 N THR A 96 9.711 -8.094 0.669 1.00 0.00 N ATOM 1525 CA THR A 96 10.580 -8.038 1.839 1.00 0.00 C ATOM 1526 C THR A 96 9.868 -7.389 3.022 1.00 0.00 C ATOM 1527 O THR A 96 10.146 -7.705 4.178 1.00 0.00 O ATOM 1528 CB THR A 96 11.873 -7.254 1.535 1.00 0.00 C ATOM 1529 OG1 THR A 96 12.543 -7.832 0.408 1.00 0.00 O ATOM 1530 CG2 THR A 96 12.806 -7.253 2.737 1.00 0.00 C ATOM 0 H THR A 96 9.986 -7.470 -0.090 1.00 0.00 H new ATOM 0 HA THR A 96 10.837 -9.066 2.096 1.00 0.00 H new ATOM 0 HB THR A 96 11.599 -6.224 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.171 -7.461 -0.419 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.710 -6.694 2.496 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.306 -6.786 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.072 -8.279 2.992 1.00 0.00 H new ATOM 1538 N LEU A 97 8.941 -6.484 2.722 1.00 0.00 N ATOM 1539 CA LEU A 97 8.188 -5.774 3.753 1.00 0.00 C ATOM 1540 C LEU A 97 7.333 -6.730 4.583 1.00 0.00 C ATOM 1541 O LEU A 97 7.191 -6.552 5.793 1.00 0.00 O ATOM 1542 CB LEU A 97 7.295 -4.706 3.111 1.00 0.00 C ATOM 1543 CG LEU A 97 7.162 -3.397 3.898 1.00 0.00 C ATOM 1544 CD1 LEU A 97 6.314 -2.399 3.125 1.00 0.00 C ATOM 1545 CD2 LEU A 97 6.560 -3.648 5.272 1.00 0.00 C ATOM 0 H LEU A 97 8.692 -6.223 1.768 1.00 0.00 H new ATOM 0 HA LEU A 97 8.907 -5.298 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.688 -4.476 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.300 -5.127 2.969 1.00 0.00 H new ATOM 0 HG LEU A 97 8.160 -2.980 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.229 -1.475 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.784 -2.190 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.321 -2.817 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.476 -2.704 5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.570 -4.091 5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.201 -4.329 5.831 1.00 0.00 H new ATOM 1557 N GLN A 98 6.782 -7.753 3.930 1.00 0.00 N ATOM 1558 CA GLN A 98 5.915 -8.722 4.600 1.00 0.00 C ATOM 1559 C GLN A 98 6.547 -9.254 5.883 1.00 0.00 C ATOM 1560 O GLN A 98 5.874 -9.371 6.908 1.00 0.00 O ATOM 1561 CB GLN A 98 5.595 -9.884 3.660 1.00 0.00 C ATOM 1562 CG GLN A 98 4.797 -9.472 2.434 1.00 0.00 C ATOM 1563 CD GLN A 98 3.427 -8.928 2.787 1.00 0.00 C ATOM 1564 OE1 GLN A 98 2.830 -9.319 3.789 1.00 0.00 O ATOM 1565 NE2 GLN A 98 2.920 -8.018 1.961 1.00 0.00 N ATOM 0 H GLN A 98 6.921 -7.932 2.936 1.00 0.00 H new ATOM 0 HA GLN A 98 4.993 -8.206 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 98 6.528 -10.347 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.036 -10.642 4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 98 5.353 -8.715 1.880 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.684 -10.331 1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.450 -7.722 1.141 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.001 -7.616 2.147 1.00 0.00 H new ATOM 1574 N HIS A 99 7.833 -9.579 5.830 1.00 0.00 N ATOM 1575 CA HIS A 99 8.528 -10.084 7.008 1.00 0.00 C ATOM 1576 C HIS A 99 9.197 -8.941 7.761 1.00 0.00 C ATOM 1577 O HIS A 99 9.349 -8.989 8.983 1.00 0.00 O ATOM 1578 CB HIS A 99 9.568 -11.137 6.617 1.00 0.00 C ATOM 1579 CG HIS A 99 10.680 -10.605 5.769 1.00 0.00 C ATOM 1580 ND1 HIS A 99 11.750 -9.905 6.285 1.00 0.00 N ATOM 1581 CD2 HIS A 99 10.888 -10.678 4.434 1.00 0.00 C ATOM 1582 CE1 HIS A 99 12.568 -9.570 5.302 1.00 0.00 C ATOM 1583 NE2 HIS A 99 12.067 -10.026 4.169 1.00 0.00 N ATOM 0 H HIS A 99 8.411 -9.503 4.993 1.00 0.00 H new ATOM 0 HA HIS A 99 7.792 -10.553 7.661 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.991 -11.570 7.524 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.069 -11.944 6.081 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.889 -9.681 7.270 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.246 -11.160 3.711 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.490 -9.017 5.408 1.00 0.00 H new ATOM 1592 N HIS A 100 9.578 -7.901 7.024 1.00 0.00 N ATOM 1593 CA HIS A 100 10.232 -6.745 7.620 1.00 0.00 C ATOM 1594 C HIS A 100 9.283 -6.013 8.565 1.00 0.00 C ATOM 1595 O HIS A 100 9.683 -5.076 9.255 1.00 0.00 O ATOM 1596 CB HIS A 100 10.731 -5.791 6.534 1.00 0.00 C ATOM 1597 CG HIS A 100 11.874 -4.932 6.979 1.00 0.00 C ATOM 1598 ND1 HIS A 100 11.704 -3.723 7.618 1.00 0.00 N ATOM 1599 CD2 HIS A 100 13.211 -5.120 6.880 1.00 0.00 C ATOM 1600 CE1 HIS A 100 12.888 -3.203 7.892 1.00 0.00 C ATOM 1601 NE2 HIS A 100 13.819 -4.031 7.455 1.00 0.00 N ATOM 0 H HIS A 100 9.444 -7.837 6.015 1.00 0.00 H new ATOM 0 HA HIS A 100 11.087 -7.100 8.195 1.00 0.00 H new ATOM 0 HB2 HIS A 100 11.039 -6.371 5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 100 9.908 -5.152 6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.707 -5.968 6.432 1.00 0.00 H new ATOM 0 HE1 HIS A 100 13.064 -2.261 8.389 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.826 -3.886 7.532 1.00 0.00 H new ATOM 1610 N LYS A 101 8.021 -6.442 8.581 1.00 0.00 N ATOM 1611 CA LYS A 101 7.015 -5.841 9.453 1.00 0.00 C ATOM 1612 C LYS A 101 7.482 -5.847 10.906 1.00 0.00 C ATOM 1613 O LYS A 101 6.974 -5.090 11.734 1.00 0.00 O ATOM 1614 CB LYS A 101 5.687 -6.596 9.341 1.00 0.00 C ATOM 1615 CG LYS A 101 5.043 -6.508 7.965 1.00 0.00 C ATOM 1616 CD LYS A 101 3.722 -7.261 7.915 1.00 0.00 C ATOM 1617 CE LYS A 101 2.681 -6.634 8.829 1.00 0.00 C ATOM 1618 NZ LYS A 101 1.377 -7.348 8.754 1.00 0.00 N ATOM 0 H LYS A 101 7.672 -7.204 7.999 1.00 0.00 H new ATOM 0 HA LYS A 101 6.870 -4.809 9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.854 -7.645 9.587 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.992 -6.202 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.876 -5.462 7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.723 -6.916 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.348 -7.272 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.884 -8.299 8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.044 -6.648 9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.539 -5.589 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.694 -6.891 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.018 -7.313 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.507 -8.339 9.040 1.00 0.00 H new ATOM 1632 N ASP A 102 8.454 -6.706 11.207 1.00 0.00 N ATOM 1633 CA ASP A 102 8.993 -6.811 12.561 1.00 0.00 C ATOM 1634 C ASP A 102 9.679 -5.514 12.985 1.00 0.00 C ATOM 1635 O ASP A 102 10.110 -5.377 14.131 1.00 0.00 O ATOM 1636 CB ASP A 102 9.983 -7.973 12.646 1.00 0.00 C ATOM 1637 CG ASP A 102 11.231 -7.732 11.819 1.00 0.00 C ATOM 1638 OD1 ASP A 102 11.226 -8.080 10.620 1.00 0.00 O ATOM 1639 OD2 ASP A 102 12.214 -7.194 12.371 1.00 0.00 O ATOM 0 H ASP A 102 8.884 -7.339 10.532 1.00 0.00 H new ATOM 0 HA ASP A 102 8.160 -6.995 13.240 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.265 -8.131 13.687 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.496 -8.887 12.306 1.00 0.00 H new ATOM 1644 N GLU A 103 9.780 -4.567 12.056 1.00 0.00 N ATOM 1645 CA GLU A 103 10.417 -3.284 12.333 1.00 0.00 C ATOM 1646 C GLU A 103 9.445 -2.129 12.097 1.00 0.00 C ATOM 1647 O GLU A 103 9.068 -1.424 13.032 1.00 0.00 O ATOM 1648 CB GLU A 103 11.658 -3.111 11.453 1.00 0.00 C ATOM 1649 CG GLU A 103 12.394 -1.800 11.684 1.00 0.00 C ATOM 1650 CD GLU A 103 12.982 -1.701 13.077 1.00 0.00 C ATOM 1651 OE1 GLU A 103 12.245 -1.309 14.006 1.00 0.00 O ATOM 1652 OE2 GLU A 103 14.180 -2.015 13.238 1.00 0.00 O ATOM 0 H GLU A 103 9.428 -4.665 11.104 1.00 0.00 H new ATOM 0 HA GLU A 103 10.716 -3.272 13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.342 -3.939 11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.361 -3.171 10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.192 -1.701 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.708 -0.969 11.523 1.00 0.00 H new ATOM 1659 N VAL A 104 9.045 -1.944 10.841 1.00 0.00 N ATOM 1660 CA VAL A 104 8.121 -0.874 10.481 1.00 0.00 C ATOM 1661 C VAL A 104 6.810 -0.997 11.253 1.00 0.00 C ATOM 1662 O VAL A 104 6.423 -2.089 11.669 1.00 0.00 O ATOM 1663 CB VAL A 104 7.820 -0.879 8.967 1.00 0.00 C ATOM 1664 CG1 VAL A 104 7.006 -2.105 8.581 1.00 0.00 C ATOM 1665 CG2 VAL A 104 7.100 0.397 8.559 1.00 0.00 C ATOM 0 H VAL A 104 9.347 -2.522 10.056 1.00 0.00 H new ATOM 0 HA VAL A 104 8.605 0.067 10.744 1.00 0.00 H new ATOM 0 HB VAL A 104 8.769 -0.921 8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 104 6.806 -2.087 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 104 7.566 -3.007 8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.062 -2.101 9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.897 0.374 7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.160 0.475 9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.726 1.258 8.791 1.00 0.00 H new ATOM 1675 N ALA A 105 6.133 0.131 11.442 1.00 0.00 N ATOM 1676 CA ALA A 105 4.866 0.150 12.160 1.00 0.00 C ATOM 1677 C ALA A 105 3.832 -0.726 11.462 1.00 0.00 C ATOM 1678 O ALA A 105 3.358 -0.397 10.375 1.00 0.00 O ATOM 1679 CB ALA A 105 4.354 1.577 12.285 1.00 0.00 C ATOM 0 H ALA A 105 6.442 1.044 11.107 1.00 0.00 H new ATOM 0 HA ALA A 105 5.033 -0.253 13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.406 1.578 12.824 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.082 2.178 12.830 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.207 1.999 11.291 1.00 0.00 H new ATOM 1685 N GLY A 106 3.490 -1.844 12.095 1.00 0.00 N ATOM 1686 CA GLY A 106 2.516 -2.755 11.524 1.00 0.00 C ATOM 1687 C GLY A 106 1.171 -2.096 11.294 1.00 0.00 C ATOM 1688 O GLY A 106 0.442 -2.463 10.372 1.00 0.00 O ATOM 0 H GLY A 106 3.871 -2.135 12.995 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.895 -3.140 10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.389 -3.610 12.188 1.00 0.00 H new ATOM 1692 N ASP A 107 0.841 -1.121 12.135 1.00 0.00 N ATOM 1693 CA ASP A 107 -0.428 -0.410 12.024 1.00 0.00 C ATOM 1694 C ASP A 107 -0.505 0.380 10.720 1.00 0.00 C ATOM 1695 O ASP A 107 -1.549 0.417 10.068 1.00 0.00 O ATOM 1696 CB ASP A 107 -0.617 0.531 13.214 1.00 0.00 C ATOM 1697 CG ASP A 107 -1.894 1.342 13.112 1.00 0.00 C ATOM 1698 OD1 ASP A 107 -2.959 0.826 13.510 1.00 0.00 O ATOM 1699 OD2 ASP A 107 -1.827 2.494 12.635 1.00 0.00 O ATOM 0 H ASP A 107 1.435 -0.805 12.901 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.227 -1.151 12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.632 -0.051 14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.236 1.207 13.278 1.00 0.00 H new ATOM 1704 N ILE A 108 0.604 1.009 10.342 1.00 0.00 N ATOM 1705 CA ILE A 108 0.650 1.801 9.118 1.00 0.00 C ATOM 1706 C ILE A 108 0.607 0.912 7.878 1.00 0.00 C ATOM 1707 O ILE A 108 -0.185 1.146 6.965 1.00 0.00 O ATOM 1708 CB ILE A 108 1.915 2.681 9.060 1.00 0.00 C ATOM 1709 CG1 ILE A 108 1.997 3.574 10.302 1.00 0.00 C ATOM 1710 CG2 ILE A 108 1.916 3.523 7.790 1.00 0.00 C ATOM 1711 CD1 ILE A 108 3.265 4.398 10.380 1.00 0.00 C ATOM 0 H ILE A 108 1.480 0.986 10.864 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.231 2.443 9.131 1.00 0.00 H new ATOM 0 HB ILE A 108 2.792 2.034 9.043 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.138 4.245 10.313 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.925 2.949 11.192 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.815 4.139 7.763 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.899 2.868 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.035 4.165 7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.250 5.004 11.286 1.00 0.00 H new ATOM 0 HD12 ILE A 108 4.129 3.734 10.402 1.00 0.00 H new ATOM 0 HD13 ILE A 108 3.330 5.050 9.509 1.00 0.00 H new ATOM 1723 N PHE A 109 1.458 -0.110 7.852 1.00 0.00 N ATOM 1724 CA PHE A 109 1.512 -1.024 6.718 1.00 0.00 C ATOM 1725 C PHE A 109 0.212 -1.809 6.584 1.00 0.00 C ATOM 1726 O PHE A 109 -0.169 -2.198 5.483 1.00 0.00 O ATOM 1727 CB PHE A 109 2.696 -1.989 6.837 1.00 0.00 C ATOM 1728 CG PHE A 109 2.784 -2.963 5.692 1.00 0.00 C ATOM 1729 CD1 PHE A 109 2.745 -2.517 4.379 1.00 0.00 C ATOM 1730 CD2 PHE A 109 2.893 -4.324 5.928 1.00 0.00 C ATOM 1731 CE1 PHE A 109 2.815 -3.408 3.324 1.00 0.00 C ATOM 1732 CE2 PHE A 109 2.963 -5.221 4.878 1.00 0.00 C ATOM 1733 CZ PHE A 109 2.924 -4.762 3.575 1.00 0.00 C ATOM 0 H PHE A 109 2.117 -0.325 8.601 1.00 0.00 H new ATOM 0 HA PHE A 109 1.649 -0.419 5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.621 -1.415 6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.612 -2.543 7.772 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.659 -1.459 4.178 1.00 0.00 H new ATOM 0 HD2 PHE A 109 2.924 -4.689 6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.785 -3.046 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.048 -6.279 5.076 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.979 -5.461 2.754 1.00 0.00 H new ATOM 1743 N ASP A 110 -0.465 -2.033 7.710 1.00 0.00 N ATOM 1744 CA ASP A 110 -1.721 -2.780 7.714 1.00 0.00 C ATOM 1745 C ASP A 110 -2.667 -2.262 6.633 1.00 0.00 C ATOM 1746 O ASP A 110 -3.497 -3.007 6.113 1.00 0.00 O ATOM 1747 CB ASP A 110 -2.392 -2.683 9.086 1.00 0.00 C ATOM 1748 CG ASP A 110 -3.743 -3.369 9.120 1.00 0.00 C ATOM 1749 OD1 ASP A 110 -3.777 -4.607 9.283 1.00 0.00 O ATOM 1750 OD2 ASP A 110 -4.767 -2.669 8.982 1.00 0.00 O ATOM 0 H ASP A 110 -0.165 -1.708 8.629 1.00 0.00 H new ATOM 0 HA ASP A 110 -1.494 -3.825 7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.742 -3.131 9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.514 -1.634 9.354 1.00 0.00 H new ATOM 1755 N MET A 111 -2.533 -0.982 6.299 1.00 0.00 N ATOM 1756 CA MET A 111 -3.359 -0.372 5.265 1.00 0.00 C ATOM 1757 C MET A 111 -2.931 -0.873 3.890 1.00 0.00 C ATOM 1758 O MET A 111 -3.748 -1.355 3.104 1.00 0.00 O ATOM 1759 CB MET A 111 -3.242 1.154 5.321 1.00 0.00 C ATOM 1760 CG MET A 111 -4.055 1.867 4.253 1.00 0.00 C ATOM 1761 SD MET A 111 -3.719 3.639 4.192 1.00 0.00 S ATOM 1762 CE MET A 111 -1.995 3.642 3.701 1.00 0.00 C ATOM 0 H MET A 111 -1.860 -0.348 6.730 1.00 0.00 H new ATOM 0 HA MET A 111 -4.398 -0.652 5.440 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.566 1.499 6.303 1.00 0.00 H new ATOM 0 HB3 MET A 111 -2.194 1.434 5.215 1.00 0.00 H new ATOM 0 HG2 MET A 111 -3.836 1.426 3.280 1.00 0.00 H new ATOM 0 HG3 MET A 111 -5.116 1.709 4.444 1.00 0.00 H new ATOM 0 HE1 MET A 111 -1.808 4.485 3.036 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.365 3.731 4.586 1.00 0.00 H new ATOM 0 HE3 MET A 111 -1.763 2.712 3.182 1.00 0.00 H new ATOM 1772 N LEU A 112 -1.635 -0.763 3.619 1.00 0.00 N ATOM 1773 CA LEU A 112 -1.070 -1.199 2.349 1.00 0.00 C ATOM 1774 C LEU A 112 -1.173 -2.714 2.208 1.00 0.00 C ATOM 1775 O LEU A 112 -1.159 -3.248 1.101 1.00 0.00 O ATOM 1776 CB LEU A 112 0.392 -0.760 2.241 1.00 0.00 C ATOM 1777 CG LEU A 112 0.636 0.746 2.368 1.00 0.00 C ATOM 1778 CD1 LEU A 112 2.126 1.043 2.383 1.00 0.00 C ATOM 1779 CD2 LEU A 112 -0.045 1.498 1.234 1.00 0.00 C ATOM 0 H LEU A 112 -0.952 -0.372 4.268 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.639 -0.736 1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.965 -1.270 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.784 -1.095 1.281 1.00 0.00 H new ATOM 0 HG LEU A 112 0.206 1.085 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.282 2.118 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.589 0.536 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.577 0.688 1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.141 2.567 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.354 1.156 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.118 1.311 1.266 1.00 0.00 H new ATOM 1791 N LEU A 113 -1.280 -3.395 3.345 1.00 0.00 N ATOM 1792 CA LEU A 113 -1.379 -4.850 3.376 1.00 0.00 C ATOM 1793 C LEU A 113 -2.467 -5.340 2.426 1.00 0.00 C ATOM 1794 O LEU A 113 -2.410 -6.464 1.922 1.00 0.00 O ATOM 1795 CB LEU A 113 -1.671 -5.324 4.802 1.00 0.00 C ATOM 1796 CG LEU A 113 -1.619 -6.839 5.014 1.00 0.00 C ATOM 1797 CD1 LEU A 113 -0.223 -7.372 4.730 1.00 0.00 C ATOM 1798 CD2 LEU A 113 -2.043 -7.188 6.431 1.00 0.00 C ATOM 0 H LEU A 113 -1.300 -2.957 4.266 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.427 -5.267 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.955 -4.855 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.660 -4.968 5.090 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.313 -7.309 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.207 -8.451 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.048 -7.151 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.492 -6.897 5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.001 -8.269 6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.371 -6.706 7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.062 -6.840 6.602 1.00 0.00 H new ATOM 1810 N THR A 114 -3.461 -4.488 2.191 1.00 0.00 N ATOM 1811 CA THR A 114 -4.566 -4.817 1.298 1.00 0.00 C ATOM 1812 C THR A 114 -4.092 -5.043 -0.140 1.00 0.00 C ATOM 1813 O THR A 114 -4.908 -5.210 -1.048 1.00 0.00 O ATOM 1814 CB THR A 114 -5.631 -3.703 1.301 1.00 0.00 C ATOM 1815 OG1 THR A 114 -5.075 -2.492 0.772 1.00 0.00 O ATOM 1816 CG2 THR A 114 -6.149 -3.454 2.710 1.00 0.00 C ATOM 0 H THR A 114 -3.523 -3.560 2.610 1.00 0.00 H new ATOM 0 HA THR A 114 -5.001 -5.743 1.674 1.00 0.00 H new ATOM 0 HB THR A 114 -6.463 -4.025 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.583 -2.022 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.899 -2.664 2.687 1.00 0.00 H new ATOM 0 HG22 THR A 114 -6.596 -4.368 3.100 1.00 0.00 H new ATOM 0 HG23 THR A 114 -5.323 -3.151 3.353 1.00 0.00 H new ATOM 1824 N PHE A 115 -2.773 -5.050 -0.350 1.00 0.00 N ATOM 1825 CA PHE A 115 -2.214 -5.266 -1.683 1.00 0.00 C ATOM 1826 C PHE A 115 -2.547 -6.665 -2.188 1.00 0.00 C ATOM 1827 O PHE A 115 -2.766 -6.869 -3.382 1.00 0.00 O ATOM 1828 CB PHE A 115 -0.690 -5.082 -1.672 1.00 0.00 C ATOM 1829 CG PHE A 115 -0.228 -3.649 -1.732 1.00 0.00 C ATOM 1830 CD1 PHE A 115 -0.886 -2.720 -2.524 1.00 0.00 C ATOM 1831 CD2 PHE A 115 0.876 -3.237 -0.999 1.00 0.00 C ATOM 1832 CE1 PHE A 115 -0.455 -1.408 -2.580 1.00 0.00 C ATOM 1833 CE2 PHE A 115 1.312 -1.927 -1.055 1.00 0.00 C ATOM 1834 CZ PHE A 115 0.645 -1.011 -1.845 1.00 0.00 C ATOM 0 H PHE A 115 -2.077 -4.909 0.383 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.659 -4.528 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -0.289 -5.541 -0.769 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.266 -5.622 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.745 -3.025 -3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 115 1.400 -3.948 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.978 -0.693 -3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.174 -1.619 -0.481 1.00 0.00 H new ATOM 0 HZ PHE A 115 0.983 0.014 -1.888 1.00 0.00 H new ATOM 1844 N THR A 116 -2.583 -7.625 -1.269 1.00 0.00 N ATOM 1845 CA THR A 116 -2.887 -9.007 -1.622 1.00 0.00 C ATOM 1846 C THR A 116 -3.810 -9.652 -0.592 1.00 0.00 C ATOM 1847 O THR A 116 -4.524 -10.607 -0.898 1.00 0.00 O ATOM 1848 CB THR A 116 -1.603 -9.850 -1.740 1.00 0.00 C ATOM 1849 OG1 THR A 116 -1.938 -11.221 -1.989 1.00 0.00 O ATOM 1850 CG2 THR A 116 -0.768 -9.748 -0.473 1.00 0.00 C ATOM 0 H THR A 116 -2.406 -7.472 -0.276 1.00 0.00 H new ATOM 0 HA THR A 116 -3.390 -8.981 -2.589 1.00 0.00 H new ATOM 0 HB THR A 116 -1.016 -9.462 -2.573 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.116 -11.750 -2.064 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.133 -10.352 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.489 -8.708 -0.304 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.348 -10.111 0.375 1.00 0.00 H new ATOM 1858 N ASP A 117 -3.793 -9.124 0.629 1.00 0.00 N ATOM 1859 CA ASP A 117 -4.629 -9.653 1.701 1.00 0.00 C ATOM 1860 C ASP A 117 -6.090 -9.271 1.490 1.00 0.00 C ATOM 1861 O ASP A 117 -6.545 -8.227 1.962 1.00 0.00 O ATOM 1862 CB ASP A 117 -4.141 -9.145 3.058 1.00 0.00 C ATOM 1863 CG ASP A 117 -2.737 -9.619 3.379 1.00 0.00 C ATOM 1864 OD1 ASP A 117 -1.781 -9.096 2.768 1.00 0.00 O ATOM 1865 OD2 ASP A 117 -2.595 -10.514 4.238 1.00 0.00 O ATOM 0 H ASP A 117 -3.210 -8.332 0.900 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.553 -10.740 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -4.165 -8.055 3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.824 -9.484 3.837 1.00 0.00 H new ATOM 1870 N PHE A 118 -6.819 -10.125 0.778 1.00 0.00 N ATOM 1871 CA PHE A 118 -8.227 -9.880 0.494 1.00 0.00 C ATOM 1872 C PHE A 118 -9.033 -9.750 1.781 1.00 0.00 C ATOM 1873 O PHE A 118 -9.924 -8.907 1.883 1.00 0.00 O ATOM 1874 CB PHE A 118 -8.797 -11.005 -0.372 1.00 0.00 C ATOM 1875 CG PHE A 118 -10.203 -10.753 -0.834 1.00 0.00 C ATOM 1876 CD1 PHE A 118 -10.455 -9.893 -1.890 1.00 0.00 C ATOM 1877 CD2 PHE A 118 -11.272 -11.375 -0.210 1.00 0.00 C ATOM 1878 CE1 PHE A 118 -11.748 -9.658 -2.317 1.00 0.00 C ATOM 1879 CE2 PHE A 118 -12.567 -11.145 -0.631 1.00 0.00 C ATOM 1880 CZ PHE A 118 -12.805 -10.285 -1.687 1.00 0.00 C ATOM 0 H PHE A 118 -6.456 -10.994 0.387 1.00 0.00 H new ATOM 0 HA PHE A 118 -8.302 -8.939 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -8.156 -11.142 -1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -8.770 -11.937 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -9.631 -9.400 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -11.091 -12.048 0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -11.932 -8.985 -3.142 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -13.392 -11.636 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 118 -13.817 -10.104 -2.019 1.00 0.00 H new ATOM 1890 N LEU A 119 -8.716 -10.591 2.762 1.00 0.00 N ATOM 1891 CA LEU A 119 -9.408 -10.562 4.046 1.00 0.00 C ATOM 1892 C LEU A 119 -9.354 -9.164 4.654 1.00 0.00 C ATOM 1893 O LEU A 119 -10.318 -8.703 5.266 1.00 0.00 O ATOM 1894 CB LEU A 119 -8.779 -11.569 5.012 1.00 0.00 C ATOM 1895 CG LEU A 119 -8.820 -13.029 4.553 1.00 0.00 C ATOM 1896 CD1 LEU A 119 -8.077 -13.918 5.541 1.00 0.00 C ATOM 1897 CD2 LEU A 119 -10.259 -13.500 4.394 1.00 0.00 C ATOM 0 H LEU A 119 -7.986 -11.300 2.692 1.00 0.00 H new ATOM 0 HA LEU A 119 -10.450 -10.832 3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -7.739 -11.287 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.288 -11.493 5.973 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.326 -13.098 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.116 -14.953 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.038 -13.597 5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.545 -13.842 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -10.267 -14.540 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -10.777 -13.416 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.764 -12.882 3.651 1.00 0.00 H new ATOM 1909 N ALA A 120 -8.217 -8.497 4.479 1.00 0.00 N ATOM 1910 CA ALA A 120 -8.026 -7.153 5.007 1.00 0.00 C ATOM 1911 C ALA A 120 -8.746 -6.114 4.151 1.00 0.00 C ATOM 1912 O ALA A 120 -9.213 -5.096 4.657 1.00 0.00 O ATOM 1913 CB ALA A 120 -6.543 -6.832 5.096 1.00 0.00 C ATOM 0 H ALA A 120 -7.412 -8.868 3.974 1.00 0.00 H new ATOM 0 HA ALA A 120 -8.457 -7.117 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -6.412 -5.825 5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -6.055 -7.548 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.097 -6.892 4.103 1.00 0.00 H new ATOM 1919 N PHE A 121 -8.831 -6.385 2.852 1.00 0.00 N ATOM 1920 CA PHE A 121 -9.488 -5.476 1.918 1.00 0.00 C ATOM 1921 C PHE A 121 -10.979 -5.358 2.232 1.00 0.00 C ATOM 1922 O PHE A 121 -11.501 -4.258 2.436 1.00 0.00 O ATOM 1923 CB PHE A 121 -9.284 -5.978 0.485 1.00 0.00 C ATOM 1924 CG PHE A 121 -9.480 -4.930 -0.576 1.00 0.00 C ATOM 1925 CD1 PHE A 121 -8.873 -3.688 -0.468 1.00 0.00 C ATOM 1926 CD2 PHE A 121 -10.265 -5.192 -1.689 1.00 0.00 C ATOM 1927 CE1 PHE A 121 -9.047 -2.728 -1.448 1.00 0.00 C ATOM 1928 CE2 PHE A 121 -10.441 -4.236 -2.672 1.00 0.00 C ATOM 1929 CZ PHE A 121 -9.831 -3.003 -2.551 1.00 0.00 C ATOM 0 H PHE A 121 -8.452 -7.229 2.421 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.043 -4.486 2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.276 -6.384 0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -9.976 -6.799 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.257 -3.468 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -10.745 -6.155 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.570 -1.764 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -11.055 -4.453 -3.534 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.967 -2.255 -3.318 1.00 0.00 H new ATOM 1939 N LYS A 122 -11.656 -6.501 2.282 1.00 0.00 N ATOM 1940 CA LYS A 122 -13.084 -6.533 2.575 1.00 0.00 C ATOM 1941 C LYS A 122 -13.361 -5.980 3.969 1.00 0.00 C ATOM 1942 O LYS A 122 -14.217 -5.113 4.144 1.00 0.00 O ATOM 1943 CB LYS A 122 -13.616 -7.965 2.463 1.00 0.00 C ATOM 1944 CG LYS A 122 -15.117 -8.080 2.675 1.00 0.00 C ATOM 1945 CD LYS A 122 -15.583 -9.524 2.573 1.00 0.00 C ATOM 1946 CE LYS A 122 -17.082 -9.648 2.799 1.00 0.00 C ATOM 1947 NZ LYS A 122 -17.542 -11.060 2.699 1.00 0.00 N ATOM 0 H LYS A 122 -11.238 -7.418 2.123 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.597 -5.906 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -13.366 -8.359 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -13.106 -8.591 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -15.379 -7.680 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.638 -7.475 1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.329 -9.920 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -15.053 -10.130 3.307 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -17.335 -9.252 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -17.612 -9.041 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.569 -11.103 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.323 -11.430 1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -17.056 -11.635 3.416 1.00 0.00 H new ATOM 1961 N GLU A 123 -12.628 -6.485 4.956 1.00 0.00 N ATOM 1962 CA GLU A 123 -12.791 -6.043 6.337 1.00 0.00 C ATOM 1963 C GLU A 123 -12.564 -4.539 6.457 1.00 0.00 C ATOM 1964 O GLU A 123 -13.129 -3.884 7.334 1.00 0.00 O ATOM 1965 CB GLU A 123 -11.818 -6.792 7.252 1.00 0.00 C ATOM 1966 CG GLU A 123 -11.988 -6.461 8.727 1.00 0.00 C ATOM 1967 CD GLU A 123 -13.332 -6.902 9.272 1.00 0.00 C ATOM 1968 OE1 GLU A 123 -14.307 -6.134 9.143 1.00 0.00 O ATOM 1969 OE2 GLU A 123 -13.408 -8.018 9.830 1.00 0.00 O ATOM 0 H GLU A 123 -11.914 -7.202 4.825 1.00 0.00 H new ATOM 0 HA GLU A 123 -13.813 -6.264 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -11.953 -7.864 7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -10.797 -6.558 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -11.193 -6.942 9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -11.877 -5.386 8.870 1.00 0.00 H new ATOM 1976 N MET A 124 -11.735 -3.996 5.569 1.00 0.00 N ATOM 1977 CA MET A 124 -11.434 -2.569 5.578 1.00 0.00 C ATOM 1978 C MET A 124 -12.674 -1.752 5.231 1.00 0.00 C ATOM 1979 O MET A 124 -12.996 -0.777 5.911 1.00 0.00 O ATOM 1980 CB MET A 124 -10.307 -2.250 4.593 1.00 0.00 C ATOM 1981 CG MET A 124 -9.868 -0.794 4.623 1.00 0.00 C ATOM 1982 SD MET A 124 -8.532 -0.443 3.461 1.00 0.00 S ATOM 1983 CE MET A 124 -9.321 -0.820 1.897 1.00 0.00 C ATOM 0 H MET A 124 -11.261 -4.523 4.835 1.00 0.00 H new ATOM 0 HA MET A 124 -11.110 -2.301 6.583 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.449 -2.884 4.817 1.00 0.00 H new ATOM 0 HB3 MET A 124 -10.635 -2.502 3.584 1.00 0.00 H new ATOM 0 HG2 MET A 124 -10.722 -0.157 4.392 1.00 0.00 H new ATOM 0 HG3 MET A 124 -9.543 -0.538 5.631 1.00 0.00 H new ATOM 0 HE1 MET A 124 -8.738 -0.391 1.082 1.00 0.00 H new ATOM 0 HE2 MET A 124 -9.380 -1.901 1.771 1.00 0.00 H new ATOM 0 HE3 MET A 124 -10.326 -0.398 1.885 1.00 0.00 H new ATOM 1993 N PHE A 125 -13.366 -2.153 4.168 1.00 0.00 N ATOM 1994 CA PHE A 125 -14.571 -1.450 3.734 1.00 0.00 C ATOM 1995 C PHE A 125 -15.717 -1.647 4.722 1.00 0.00 C ATOM 1996 O PHE A 125 -16.456 -0.708 5.021 1.00 0.00 O ATOM 1997 CB PHE A 125 -14.994 -1.919 2.343 1.00 0.00 C ATOM 1998 CG PHE A 125 -13.997 -1.585 1.271 1.00 0.00 C ATOM 1999 CD1 PHE A 125 -13.746 -0.267 0.925 1.00 0.00 C ATOM 2000 CD2 PHE A 125 -13.312 -2.589 0.611 1.00 0.00 C ATOM 2001 CE1 PHE A 125 -12.828 0.042 -0.061 1.00 0.00 C ATOM 2002 CE2 PHE A 125 -12.394 -2.288 -0.375 1.00 0.00 C ATOM 2003 CZ PHE A 125 -12.151 -0.970 -0.712 1.00 0.00 C ATOM 0 H PHE A 125 -13.115 -2.957 3.593 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.335 -0.386 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.147 -2.998 2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -15.953 -1.466 2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -14.274 0.528 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -13.498 -3.621 0.870 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -12.641 1.073 -0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -11.866 -3.082 -0.883 1.00 0.00 H new ATOM 0 HZ PHE A 125 -11.433 -0.732 -1.483 1.00 0.00 H new ATOM 2013 N LEU A 126 -15.866 -2.869 5.225 1.00 0.00 N ATOM 2014 CA LEU A 126 -16.926 -3.175 6.181 1.00 0.00 C ATOM 2015 C LEU A 126 -16.790 -2.318 7.436 1.00 0.00 C ATOM 2016 O LEU A 126 -17.788 -1.939 8.052 1.00 0.00 O ATOM 2017 CB LEU A 126 -16.901 -4.660 6.551 1.00 0.00 C ATOM 2018 CG LEU A 126 -17.744 -5.572 5.652 1.00 0.00 C ATOM 2019 CD1 LEU A 126 -17.259 -5.510 4.211 1.00 0.00 C ATOM 2020 CD2 LEU A 126 -17.707 -7.004 6.165 1.00 0.00 C ATOM 0 H LEU A 126 -15.269 -3.661 4.988 1.00 0.00 H new ATOM 0 HA LEU A 126 -17.882 -2.946 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -15.868 -5.007 6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -17.249 -4.768 7.578 1.00 0.00 H new ATOM 0 HG LEU A 126 -18.775 -5.219 5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -17.872 -6.165 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -17.337 -4.487 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -16.219 -5.834 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -18.310 -7.639 5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -16.678 -7.363 6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -18.106 -7.038 7.179 1.00 0.00 H new ATOM 2032 N ASP A 127 -15.552 -2.012 7.807 1.00 0.00 N ATOM 2033 CA ASP A 127 -15.287 -1.197 8.987 1.00 0.00 C ATOM 2034 C ASP A 127 -15.687 0.255 8.737 1.00 0.00 C ATOM 2035 O ASP A 127 -16.466 0.836 9.497 1.00 0.00 O ATOM 2036 CB ASP A 127 -13.807 -1.277 9.367 1.00 0.00 C ATOM 2037 CG ASP A 127 -13.491 -0.506 10.633 1.00 0.00 C ATOM 2038 OD1 ASP A 127 -13.608 -1.091 11.731 1.00 0.00 O ATOM 2039 OD2 ASP A 127 -13.123 0.683 10.527 1.00 0.00 O ATOM 0 H ASP A 127 -14.716 -2.316 7.308 1.00 0.00 H new ATOM 0 HA ASP A 127 -15.884 -1.584 9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.526 -2.321 9.502 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.203 -0.887 8.548 1.00 0.00 H new ATOM 2044 N TYR A 128 -15.148 0.835 7.666 1.00 0.00 N ATOM 2045 CA TYR A 128 -15.453 2.215 7.306 1.00 0.00 C ATOM 2046 C TYR A 128 -16.959 2.412 7.176 1.00 0.00 C ATOM 2047 O TYR A 128 -17.487 3.481 7.483 1.00 0.00 O ATOM 2048 CB TYR A 128 -14.753 2.587 5.996 1.00 0.00 C ATOM 2049 CG TYR A 128 -14.958 4.027 5.576 1.00 0.00 C ATOM 2050 CD1 TYR A 128 -14.359 5.069 6.273 1.00 0.00 C ATOM 2051 CD2 TYR A 128 -15.746 4.343 4.476 1.00 0.00 C ATOM 2052 CE1 TYR A 128 -14.541 6.385 5.887 1.00 0.00 C ATOM 2053 CE2 TYR A 128 -15.933 5.654 4.084 1.00 0.00 C ATOM 2054 CZ TYR A 128 -15.328 6.671 4.792 1.00 0.00 C ATOM 2055 OH TYR A 128 -15.509 7.979 4.403 1.00 0.00 O ATOM 0 H TYR A 128 -14.498 0.369 7.033 1.00 0.00 H new ATOM 0 HA TYR A 128 -15.086 2.869 8.097 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -13.685 2.398 6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -15.116 1.933 5.203 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -13.741 4.848 7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -16.221 3.550 3.918 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -14.069 7.184 6.440 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -16.550 5.882 3.227 1.00 0.00 H new ATOM 0 HH TYR A 128 -16.089 8.008 3.614 1.00 0.00 H new ATOM 2065 N ARG A 129 -17.645 1.369 6.716 1.00 0.00 N ATOM 2066 CA ARG A 129 -19.093 1.416 6.551 1.00 0.00 C ATOM 2067 C ARG A 129 -19.783 1.418 7.909 1.00 0.00 C ATOM 2068 O ARG A 129 -20.825 2.050 8.088 1.00 0.00 O ATOM 2069 CB ARG A 129 -19.572 0.222 5.723 1.00 0.00 C ATOM 2070 CG ARG A 129 -21.074 0.207 5.485 1.00 0.00 C ATOM 2071 CD ARG A 129 -21.503 -1.035 4.722 1.00 0.00 C ATOM 2072 NE ARG A 129 -22.944 -1.059 4.477 1.00 0.00 N ATOM 2073 CZ ARG A 129 -23.545 -1.953 3.698 1.00 0.00 C ATOM 2074 NH1 ARG A 129 -22.832 -2.888 3.084 1.00 0.00 N ATOM 2075 NH2 ARG A 129 -24.859 -1.910 3.530 1.00 0.00 N ATOM 0 H ARG A 129 -17.220 0.481 6.451 1.00 0.00 H new ATOM 0 HA ARG A 129 -19.350 2.336 6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -19.061 0.230 4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -19.284 -0.699 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -21.596 0.246 6.441 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -21.364 1.097 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -20.973 -1.076 3.770 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -21.217 -1.923 5.285 1.00 0.00 H new ATOM 0 HE ARG A 129 -23.521 -0.350 4.929 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -21.820 -2.922 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -23.295 -3.573 2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -25.410 -1.191 3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -25.319 -2.596 2.932 1.00 0.00 H new ATOM 2089 N ALA A 130 -19.194 0.706 8.866 1.00 0.00 N ATOM 2090 CA ALA A 130 -19.748 0.627 10.211 1.00 0.00 C ATOM 2091 C ALA A 130 -19.832 2.007 10.849 1.00 0.00 C ATOM 2092 O ALA A 130 -20.826 2.343 11.495 1.00 0.00 O ATOM 2093 CB ALA A 130 -18.910 -0.302 11.077 1.00 0.00 C ATOM 0 H ALA A 130 -18.333 0.176 8.733 1.00 0.00 H new ATOM 0 HA ALA A 130 -20.758 0.223 10.136 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -19.337 -0.350 12.079 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -18.902 -1.300 10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -17.890 0.077 11.136 1.00 0.00 H new ATOM 2099 N GLU A 131 -18.784 2.804 10.666 1.00 0.00 N ATOM 2100 CA GLU A 131 -18.745 4.152 11.224 1.00 0.00 C ATOM 2101 C GLU A 131 -19.849 5.023 10.631 1.00 0.00 C ATOM 2102 O GLU A 131 -20.327 5.957 11.274 1.00 0.00 O ATOM 2103 CB GLU A 131 -17.382 4.799 10.972 1.00 0.00 C ATOM 2104 CG GLU A 131 -16.288 4.296 11.900 1.00 0.00 C ATOM 2105 CD GLU A 131 -15.944 2.839 11.666 1.00 0.00 C ATOM 2106 OE1 GLU A 131 -16.659 1.965 12.203 1.00 0.00 O ATOM 2107 OE2 GLU A 131 -14.959 2.571 10.947 1.00 0.00 O ATOM 0 H GLU A 131 -17.952 2.541 10.137 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.907 4.072 12.299 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.086 4.612 9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.475 5.879 11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.393 4.903 11.762 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.606 4.428 12.934 1.00 0.00 H new