USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 586 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 Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc=-0.00103 K(o=-0.001,f=-0.68) USER MOD Single : A 26 ASN : amide:sc= 0.188 K(o=0.19,f=-0.69) USER MOD Single : A 27 TYR OH : rot 120:sc= 0.151 USER MOD Single : A 29 SER OG : rot -81:sc= 0.541 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0778 K(o=-0.078,f=-2.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -155:sc= 0.648 USER MOD Single : A 49 THR OG1 : rot 33:sc= 0.0689 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.32 K(o=-1.3,f=-5.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.63) USER MOD Single : A 76 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 78 GLN : amide:sc= -0.825 K(o=-0.82,f=-3.7!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 87 ASN : amide:sc=-0.00119 K(o=-0.0012,f=-0.87) USER MOD Single : A 93 TYR OH : rot -14:sc= 0.736 USER MOD ----------------------------------------------------------------- ATOM 245 N ARG A 16 2.967 12.478 6.170 1.00 0.00 N ATOM 246 CA ARG A 16 2.736 13.264 4.943 1.00 0.00 C ATOM 247 C ARG A 16 1.710 12.554 4.053 1.00 0.00 C ATOM 248 O ARG A 16 1.827 11.351 3.798 1.00 0.00 O ATOM 249 CB ARG A 16 4.050 13.492 4.141 1.00 0.00 C ATOM 250 CG ARG A 16 3.880 14.459 2.934 1.00 0.00 C ATOM 251 CD ARG A 16 5.143 14.604 2.062 1.00 0.00 C ATOM 252 NE ARG A 16 5.428 13.383 1.281 1.00 0.00 N ATOM 253 CZ ARG A 16 6.506 12.597 1.416 1.00 0.00 C ATOM 254 NH1 ARG A 16 7.448 12.858 2.315 1.00 0.00 N ATOM 255 NH2 ARG A 16 6.628 11.543 0.643 1.00 0.00 N ATOM 0 HA ARG A 16 2.355 14.239 5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.811 13.891 4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.416 12.532 3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.060 14.104 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.594 15.442 3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.018 15.447 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.997 14.833 2.699 1.00 0.00 H new ATOM 0 HE ARG A 16 4.743 13.113 0.575 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.361 13.672 2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.258 12.244 2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.908 11.332 -0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.442 10.936 0.734 1.00 0.00 H new ATOM 269 N GLU A 17 0.716 13.313 3.591 1.00 0.00 N ATOM 270 CA GLU A 17 -0.323 12.832 2.683 1.00 0.00 C ATOM 271 C GLU A 17 0.263 12.743 1.264 1.00 0.00 C ATOM 272 O GLU A 17 0.841 13.716 0.759 1.00 0.00 O ATOM 273 CB GLU A 17 -1.540 13.799 2.759 1.00 0.00 C ATOM 274 CG GLU A 17 -2.845 13.320 2.064 1.00 0.00 C ATOM 275 CD GLU A 17 -2.965 13.716 0.585 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.188 14.914 0.300 1.00 0.00 O ATOM 277 OE2 GLU A 17 -2.830 12.845 -0.289 1.00 0.00 O ATOM 0 H GLU A 17 0.609 14.296 3.842 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.669 11.837 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.761 13.988 3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.248 14.752 2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.905 12.234 2.142 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.699 13.726 2.606 1.00 0.00 H new ATOM 284 N ILE A 18 0.134 11.561 0.655 1.00 0.00 N ATOM 285 CA ILE A 18 0.637 11.252 -0.690 1.00 0.00 C ATOM 286 C ILE A 18 -0.528 10.691 -1.519 1.00 0.00 C ATOM 287 O ILE A 18 -1.575 10.326 -0.969 1.00 0.00 O ATOM 288 CB ILE A 18 1.820 10.193 -0.659 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.320 8.778 -0.182 1.00 0.00 C ATOM 290 CG2 ILE A 18 2.991 10.691 0.231 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.351 7.670 -0.296 1.00 0.00 C ATOM 0 H ILE A 18 -0.336 10.770 1.095 1.00 0.00 H new ATOM 0 HA ILE A 18 1.033 12.167 -1.130 1.00 0.00 H new ATOM 0 HB ILE A 18 2.187 10.087 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.000 8.852 0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.443 8.501 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.787 9.947 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.375 11.631 -0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.634 10.845 1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.918 6.733 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.655 7.562 -1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.221 7.918 0.312 1.00 0.00 H new ATOM 303 N THR A 19 -0.342 10.604 -2.833 1.00 0.00 N ATOM 304 CA THR A 19 -1.322 9.973 -3.728 1.00 0.00 C ATOM 305 C THR A 19 -0.916 8.510 -3.994 1.00 0.00 C ATOM 306 O THR A 19 0.255 8.144 -3.809 1.00 0.00 O ATOM 307 CB THR A 19 -1.482 10.780 -5.060 1.00 0.00 C ATOM 308 OG1 THR A 19 -2.503 10.194 -5.867 1.00 0.00 O ATOM 309 CG2 THR A 19 -0.187 10.867 -5.874 1.00 0.00 C ATOM 0 H THR A 19 0.484 10.964 -3.310 1.00 0.00 H new ATOM 0 HA THR A 19 -2.297 9.978 -3.240 1.00 0.00 H new ATOM 0 HB THR A 19 -1.753 11.796 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.598 10.706 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.367 11.439 -6.784 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.583 11.361 -5.281 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.146 9.863 -6.137 1.00 0.00 H new ATOM 317 N TRP A 20 -1.911 7.691 -4.390 1.00 0.00 N ATOM 318 CA TRP A 20 -1.738 6.255 -4.699 1.00 0.00 C ATOM 319 C TRP A 20 -0.623 6.045 -5.745 1.00 0.00 C ATOM 320 O TRP A 20 0.241 5.201 -5.555 1.00 0.00 O ATOM 321 CB TRP A 20 -3.088 5.650 -5.189 1.00 0.00 C ATOM 322 CG TRP A 20 -3.042 4.194 -5.625 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.048 3.720 -6.906 1.00 0.00 C ATOM 324 CD2 TRP A 20 -2.995 3.031 -4.781 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.004 2.353 -6.909 1.00 0.00 N ATOM 326 CE2 TRP A 20 -2.970 1.904 -5.624 1.00 0.00 C ATOM 327 CE3 TRP A 20 -2.954 2.829 -3.405 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.937 0.604 -5.136 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.915 1.534 -2.921 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.900 0.438 -3.784 1.00 0.00 C ATOM 0 H TRP A 20 -2.872 8.012 -4.506 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.435 5.736 -3.789 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.820 5.746 -4.387 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.450 6.248 -6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.083 4.337 -7.791 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.998 1.764 -7.741 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.953 3.669 -2.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.941 -0.245 -5.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.896 1.368 -1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.858 -0.560 -3.373 1.00 0.00 H new ATOM 341 N LYS A 21 -0.645 6.856 -6.820 1.00 0.00 N ATOM 342 CA LYS A 21 0.326 6.768 -7.932 1.00 0.00 C ATOM 343 C LYS A 21 1.783 7.013 -7.454 1.00 0.00 C ATOM 344 O LYS A 21 2.711 6.321 -7.899 1.00 0.00 O ATOM 345 CB LYS A 21 -0.079 7.763 -9.055 1.00 0.00 C ATOM 346 CG LYS A 21 0.810 7.723 -10.322 1.00 0.00 C ATOM 347 CD LYS A 21 0.282 8.634 -11.458 1.00 0.00 C ATOM 348 CE LYS A 21 0.198 10.120 -11.059 1.00 0.00 C ATOM 349 NZ LYS A 21 -0.338 10.970 -12.156 1.00 0.00 N ATOM 0 H LYS A 21 -1.338 7.594 -6.944 1.00 0.00 H new ATOM 0 HA LYS A 21 0.301 5.754 -8.331 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.109 7.558 -9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.059 8.774 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.823 8.029 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.871 6.697 -10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.933 8.534 -12.326 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.707 8.290 -11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.438 10.222 -10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.190 10.475 -10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.376 11.960 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.282 10.895 -12.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.295 10.650 -12.407 1.00 0.00 H new ATOM 363 N ASP A 22 1.962 7.985 -6.527 1.00 0.00 N ATOM 364 CA ASP A 22 3.266 8.326 -5.907 1.00 0.00 C ATOM 365 C ASP A 22 3.762 7.168 -5.034 1.00 0.00 C ATOM 366 O ASP A 22 4.946 6.809 -5.065 1.00 0.00 O ATOM 367 CB ASP A 22 3.109 9.614 -5.046 1.00 0.00 C ATOM 368 CG ASP A 22 4.395 10.022 -4.296 1.00 0.00 C ATOM 369 OD1 ASP A 22 5.282 10.648 -4.918 1.00 0.00 O ATOM 370 OD2 ASP A 22 4.520 9.745 -3.079 1.00 0.00 O ATOM 0 H ASP A 22 1.194 8.562 -6.184 1.00 0.00 H new ATOM 0 HA ASP A 22 3.999 8.503 -6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.800 10.436 -5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.310 9.460 -4.321 1.00 0.00 H new ATOM 375 N PHE A 23 2.812 6.599 -4.256 1.00 0.00 N ATOM 376 CA PHE A 23 3.032 5.418 -3.411 1.00 0.00 C ATOM 377 C PHE A 23 3.644 4.267 -4.229 1.00 0.00 C ATOM 378 O PHE A 23 4.686 3.734 -3.858 1.00 0.00 O ATOM 379 CB PHE A 23 1.694 4.978 -2.727 1.00 0.00 C ATOM 380 CG PHE A 23 1.700 3.556 -2.168 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.636 3.165 -1.207 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.797 2.593 -2.639 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.663 1.872 -0.734 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.834 1.301 -2.162 1.00 0.00 C ATOM 385 CZ PHE A 23 1.767 0.945 -1.214 1.00 0.00 C ATOM 0 H PHE A 23 1.859 6.958 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 23 3.742 5.681 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.471 5.672 -1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.885 5.065 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.347 3.886 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.064 2.867 -3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.388 1.586 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.132 0.568 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.796 -0.069 -0.845 1.00 0.00 H new ATOM 395 N VAL A 24 2.981 3.916 -5.341 1.00 0.00 N ATOM 396 CA VAL A 24 3.370 2.781 -6.191 1.00 0.00 C ATOM 397 C VAL A 24 4.804 2.946 -6.717 1.00 0.00 C ATOM 398 O VAL A 24 5.664 2.096 -6.481 1.00 0.00 O ATOM 399 CB VAL A 24 2.391 2.626 -7.405 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.785 1.433 -8.313 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.929 2.513 -6.916 1.00 0.00 C ATOM 0 H VAL A 24 2.157 4.414 -5.677 1.00 0.00 H new ATOM 0 HA VAL A 24 3.319 1.885 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 24 2.472 3.525 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.082 1.360 -9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.791 1.589 -8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.760 0.510 -7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.266 2.406 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.828 1.642 -6.269 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.661 3.411 -6.360 1.00 0.00 H new ATOM 411 N ASN A 25 5.038 4.085 -7.378 1.00 0.00 N ATOM 412 CA ASN A 25 6.270 4.339 -8.140 1.00 0.00 C ATOM 413 C ASN A 25 7.482 4.559 -7.224 1.00 0.00 C ATOM 414 O ASN A 25 8.517 3.912 -7.409 1.00 0.00 O ATOM 415 CB ASN A 25 6.073 5.544 -9.099 1.00 0.00 C ATOM 416 CG ASN A 25 5.112 5.223 -10.245 1.00 0.00 C ATOM 417 OD1 ASN A 25 5.080 4.098 -10.753 1.00 0.00 O ATOM 418 ND2 ASN A 25 4.306 6.188 -10.646 1.00 0.00 N ATOM 0 H ASN A 25 4.377 4.861 -7.401 1.00 0.00 H new ATOM 0 HA ASN A 25 6.479 3.448 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.691 6.395 -8.535 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.038 5.840 -9.509 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.635 6.014 -11.394 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.355 7.108 -10.208 1.00 0.00 H new ATOM 425 N ASN A 26 7.344 5.439 -6.219 1.00 0.00 N ATOM 426 CA ASN A 26 8.482 5.877 -5.378 1.00 0.00 C ATOM 427 C ASN A 26 8.685 4.989 -4.141 1.00 0.00 C ATOM 428 O ASN A 26 9.738 5.088 -3.503 1.00 0.00 O ATOM 429 CB ASN A 26 8.299 7.364 -4.949 1.00 0.00 C ATOM 430 CG ASN A 26 8.373 8.349 -6.121 1.00 0.00 C ATOM 431 OD1 ASN A 26 9.014 8.088 -7.141 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.731 9.494 -5.984 1.00 0.00 N ATOM 0 H ASN A 26 6.453 5.866 -5.964 1.00 0.00 H new ATOM 0 HA ASN A 26 9.380 5.781 -5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.336 7.475 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.067 7.621 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.758 10.187 -6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.207 9.686 -5.130 1.00 0.00 H new ATOM 439 N TYR A 27 7.706 4.126 -3.778 1.00 0.00 N ATOM 440 CA TYR A 27 7.804 3.311 -2.537 1.00 0.00 C ATOM 441 C TYR A 27 7.576 1.802 -2.782 1.00 0.00 C ATOM 442 O TYR A 27 8.488 0.984 -2.559 1.00 0.00 O ATOM 443 CB TYR A 27 6.817 3.855 -1.461 1.00 0.00 C ATOM 444 CG TYR A 27 7.060 5.322 -1.091 1.00 0.00 C ATOM 445 CD1 TYR A 27 8.303 5.729 -0.597 1.00 0.00 C ATOM 446 CD2 TYR A 27 6.076 6.302 -1.263 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.549 7.045 -0.283 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.326 7.623 -0.954 1.00 0.00 C ATOM 449 CZ TYR A 27 7.561 7.984 -0.465 1.00 0.00 C ATOM 450 OH TYR A 27 7.822 9.296 -0.166 1.00 0.00 O ATOM 0 H TYR A 27 6.852 3.975 -4.315 1.00 0.00 H new ATOM 0 HA TYR A 27 8.827 3.407 -2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.796 3.746 -1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.900 3.244 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.084 4.996 -0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.106 6.020 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.513 7.340 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.558 8.369 -1.095 1.00 0.00 H new ATOM 0 HH TYR A 27 7.709 9.844 -0.971 1.00 0.00 H new ATOM 460 N LEU A 28 6.348 1.446 -3.207 1.00 0.00 N ATOM 461 CA LEU A 28 5.891 0.040 -3.306 1.00 0.00 C ATOM 462 C LEU A 28 6.779 -0.813 -4.238 1.00 0.00 C ATOM 463 O LEU A 28 7.242 -1.896 -3.845 1.00 0.00 O ATOM 464 CB LEU A 28 4.416 -0.020 -3.772 1.00 0.00 C ATOM 465 CG LEU A 28 3.757 -1.436 -3.708 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.725 -1.974 -2.265 1.00 0.00 C ATOM 467 CD2 LEU A 28 2.352 -1.433 -4.322 1.00 0.00 C ATOM 0 H LEU A 28 5.642 2.124 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 28 5.974 -0.387 -2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.830 0.665 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.360 0.343 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 28 4.376 -2.107 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.261 -2.960 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.743 -2.048 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.149 -1.295 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.926 -2.434 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.718 -0.734 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.412 -1.129 -5.367 1.00 0.00 H new ATOM 479 N SER A 29 7.024 -0.297 -5.452 1.00 0.00 N ATOM 480 CA SER A 29 7.834 -0.987 -6.473 1.00 0.00 C ATOM 481 C SER A 29 9.327 -1.022 -6.086 1.00 0.00 C ATOM 482 O SER A 29 10.094 -1.835 -6.615 1.00 0.00 O ATOM 483 CB SER A 29 7.653 -0.291 -7.837 1.00 0.00 C ATOM 484 OG SER A 29 8.083 1.061 -7.781 1.00 0.00 O ATOM 0 H SER A 29 6.668 0.609 -5.755 1.00 0.00 H new ATOM 0 HA SER A 29 7.488 -2.018 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.220 -0.825 -8.600 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.605 -0.331 -8.133 1.00 0.00 H new ATOM 0 HG SER A 29 7.379 1.612 -7.380 1.00 0.00 H new ATOM 490 N LYS A 30 9.728 -0.136 -5.145 1.00 0.00 N ATOM 491 CA LYS A 30 11.126 -0.005 -4.696 1.00 0.00 C ATOM 492 C LYS A 30 11.436 -1.006 -3.557 1.00 0.00 C ATOM 493 O LYS A 30 12.592 -1.135 -3.141 1.00 0.00 O ATOM 494 CB LYS A 30 11.373 1.445 -4.205 1.00 0.00 C ATOM 495 CG LYS A 30 11.048 2.554 -5.231 1.00 0.00 C ATOM 496 CD LYS A 30 11.968 2.550 -6.474 1.00 0.00 C ATOM 497 CE LYS A 30 11.717 3.768 -7.385 1.00 0.00 C ATOM 498 NZ LYS A 30 12.599 3.772 -8.579 1.00 0.00 N ATOM 0 H LYS A 30 9.088 0.507 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 30 11.786 -0.229 -5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.775 1.615 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.419 1.539 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.014 2.442 -5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.124 3.524 -4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.010 2.546 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.806 1.634 -7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.675 3.770 -7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.877 4.684 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.393 4.610 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.594 3.797 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.429 2.912 -9.139 1.00 0.00 H new ATOM 512 N GLY A 31 10.384 -1.700 -3.057 1.00 0.00 N ATOM 513 CA GLY A 31 10.514 -2.668 -1.958 1.00 0.00 C ATOM 514 C GLY A 31 10.835 -2.056 -0.596 1.00 0.00 C ATOM 515 O GLY A 31 11.184 -2.785 0.341 1.00 0.00 O ATOM 0 H GLY A 31 9.431 -1.600 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.584 -3.231 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.297 -3.382 -2.213 1.00 0.00 H new ATOM 519 N VAL A 32 10.699 -0.716 -0.467 1.00 0.00 N ATOM 520 CA VAL A 32 11.007 0.007 0.791 1.00 0.00 C ATOM 521 C VAL A 32 9.786 0.031 1.737 1.00 0.00 C ATOM 522 O VAL A 32 9.866 0.554 2.851 1.00 0.00 O ATOM 523 CB VAL A 32 11.532 1.471 0.518 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.788 1.443 -0.388 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.429 2.382 -0.073 1.00 0.00 C ATOM 0 H VAL A 32 10.377 -0.110 -1.222 1.00 0.00 H new ATOM 0 HA VAL A 32 11.810 -0.542 1.284 1.00 0.00 H new ATOM 0 HB VAL A 32 11.815 1.902 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.133 2.462 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.577 0.872 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.539 0.975 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.834 3.379 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.080 1.965 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.595 2.445 0.627 1.00 0.00 H new ATOM 535 N VAL A 33 8.676 -0.578 1.278 1.00 0.00 N ATOM 536 CA VAL A 33 7.430 -0.712 2.046 1.00 0.00 C ATOM 537 C VAL A 33 7.386 -2.102 2.690 1.00 0.00 C ATOM 538 O VAL A 33 7.570 -3.111 2.004 1.00 0.00 O ATOM 539 CB VAL A 33 6.160 -0.513 1.137 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.840 -0.644 1.944 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.222 0.839 0.405 1.00 0.00 C ATOM 0 H VAL A 33 8.622 -0.996 0.349 1.00 0.00 H new ATOM 0 HA VAL A 33 7.416 0.064 2.811 1.00 0.00 H new ATOM 0 HB VAL A 33 6.164 -1.311 0.395 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.990 -0.500 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.785 -1.636 2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.817 0.111 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.335 0.957 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.262 1.647 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.113 0.873 -0.222 1.00 0.00 H new ATOM 551 N ASP A 34 7.149 -2.129 4.003 1.00 0.00 N ATOM 552 CA ASP A 34 7.057 -3.360 4.797 1.00 0.00 C ATOM 553 C ASP A 34 5.619 -3.897 4.757 1.00 0.00 C ATOM 554 O ASP A 34 5.377 -5.052 4.398 1.00 0.00 O ATOM 555 CB ASP A 34 7.479 -3.063 6.256 1.00 0.00 C ATOM 556 CG ASP A 34 7.521 -4.317 7.141 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.542 -5.037 7.123 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.538 -4.594 7.859 1.00 0.00 O ATOM 0 H ASP A 34 7.013 -1.283 4.556 1.00 0.00 H new ATOM 0 HA ASP A 34 7.724 -4.115 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.463 -2.594 6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.784 -2.344 6.689 1.00 0.00 H new ATOM 563 N ARG A 35 4.671 -3.007 5.091 1.00 0.00 N ATOM 564 CA ARG A 35 3.248 -3.357 5.238 1.00 0.00 C ATOM 565 C ARG A 35 2.368 -2.119 5.043 1.00 0.00 C ATOM 566 O ARG A 35 2.857 -0.985 5.057 1.00 0.00 O ATOM 567 CB ARG A 35 2.984 -4.050 6.611 1.00 0.00 C ATOM 568 CG ARG A 35 3.314 -3.217 7.867 1.00 0.00 C ATOM 569 CD ARG A 35 3.142 -4.023 9.169 1.00 0.00 C ATOM 570 NE ARG A 35 4.036 -5.203 9.220 1.00 0.00 N ATOM 571 CZ ARG A 35 4.097 -6.106 10.220 1.00 0.00 C ATOM 572 NH1 ARG A 35 3.315 -6.007 11.294 1.00 0.00 N ATOM 573 NH2 ARG A 35 4.968 -7.106 10.140 1.00 0.00 N ATOM 0 H ARG A 35 4.870 -2.022 5.267 1.00 0.00 H new ATOM 0 HA ARG A 35 2.983 -4.074 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.933 -4.335 6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.566 -4.971 6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.340 -2.855 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.668 -2.340 7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.346 -3.378 10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.106 -4.350 9.257 1.00 0.00 H new ATOM 0 HE ARG A 35 4.662 -5.345 8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.652 -5.236 11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.379 -6.702 12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.581 -7.185 9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.024 -7.795 10.890 1.00 0.00 H new ATOM 587 N LEU A 36 1.071 -2.358 4.815 1.00 0.00 N ATOM 588 CA LEU A 36 0.064 -1.305 4.647 1.00 0.00 C ATOM 589 C LEU A 36 -0.984 -1.441 5.747 1.00 0.00 C ATOM 590 O LEU A 36 -1.830 -2.340 5.720 1.00 0.00 O ATOM 591 CB LEU A 36 -0.571 -1.387 3.235 1.00 0.00 C ATOM 592 CG LEU A 36 0.376 -1.000 2.060 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.358 -1.079 0.715 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.010 0.397 2.287 1.00 0.00 C ATOM 0 H LEU A 36 0.687 -3.300 4.741 1.00 0.00 H new ATOM 0 HA LEU A 36 0.532 -0.324 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.928 -2.404 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.444 -0.734 3.208 1.00 0.00 H new ATOM 0 HG LEU A 36 1.191 -1.723 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.325 -0.804 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.716 -2.096 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.205 -0.393 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.666 0.639 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.222 1.147 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.588 0.388 3.211 1.00 0.00 H new ATOM 606 N GLU A 37 -0.890 -0.545 6.727 1.00 0.00 N ATOM 607 CA GLU A 37 -1.726 -0.556 7.923 1.00 0.00 C ATOM 608 C GLU A 37 -2.893 0.427 7.749 1.00 0.00 C ATOM 609 O GLU A 37 -2.708 1.642 7.808 1.00 0.00 O ATOM 610 CB GLU A 37 -0.855 -0.219 9.156 1.00 0.00 C ATOM 611 CG GLU A 37 0.262 -1.255 9.419 1.00 0.00 C ATOM 612 CD GLU A 37 1.060 -0.984 10.699 1.00 0.00 C ATOM 613 OE1 GLU A 37 0.486 -1.091 11.802 1.00 0.00 O ATOM 614 OE2 GLU A 37 2.262 -0.663 10.617 1.00 0.00 O ATOM 0 H GLU A 37 -0.218 0.222 6.711 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.156 -1.546 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.404 0.763 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.494 -0.153 10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.182 -2.248 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.945 -1.264 8.570 1.00 0.00 H new ATOM 621 N VAL A 38 -4.098 -0.126 7.564 1.00 0.00 N ATOM 622 CA VAL A 38 -5.306 0.640 7.230 1.00 0.00 C ATOM 623 C VAL A 38 -5.896 1.203 8.536 1.00 0.00 C ATOM 624 O VAL A 38 -6.670 0.517 9.209 1.00 0.00 O ATOM 625 CB VAL A 38 -6.365 -0.279 6.494 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.576 0.538 5.989 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.710 -1.092 5.345 1.00 0.00 C ATOM 0 H VAL A 38 -4.264 -1.129 7.643 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.052 1.456 6.553 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.739 -0.993 7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.281 -0.127 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.068 1.020 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.235 1.298 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.465 -1.712 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.280 -0.407 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.924 -1.729 5.752 1.00 0.00 H new ATOM 637 N VAL A 39 -5.507 2.442 8.907 1.00 0.00 N ATOM 638 CA VAL A 39 -5.808 3.010 10.235 1.00 0.00 C ATOM 639 C VAL A 39 -7.225 3.613 10.264 1.00 0.00 C ATOM 640 O VAL A 39 -7.549 4.520 9.475 1.00 0.00 O ATOM 641 CB VAL A 39 -4.750 4.091 10.666 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.053 4.659 12.082 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.306 3.530 10.586 1.00 0.00 C ATOM 0 H VAL A 39 -4.981 3.070 8.299 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.757 2.191 10.952 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.827 4.917 9.959 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.301 5.403 12.344 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.039 5.124 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.032 3.849 12.811 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.599 4.301 10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.212 2.670 11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.091 3.224 9.562 1.00 0.00 H new ATOM 653 N ASN A 40 -8.058 3.065 11.181 1.00 0.00 N ATOM 654 CA ASN A 40 -9.484 3.426 11.385 1.00 0.00 C ATOM 655 C ASN A 40 -10.321 3.322 10.098 1.00 0.00 C ATOM 656 O ASN A 40 -11.397 3.917 10.006 1.00 0.00 O ATOM 657 CB ASN A 40 -9.594 4.819 12.070 1.00 0.00 C ATOM 658 CG ASN A 40 -9.067 4.807 13.516 1.00 0.00 C ATOM 659 OD1 ASN A 40 -8.174 4.031 13.871 1.00 0.00 O ATOM 660 ND2 ASN A 40 -9.615 5.660 14.363 1.00 0.00 N ATOM 0 H ASN A 40 -7.746 2.335 11.821 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.920 2.688 12.059 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.034 5.552 11.489 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.636 5.140 12.069 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.302 5.687 15.333 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -10.351 6.291 14.047 1.00 0.00 H new ATOM 667 N LYS A 41 -9.812 2.522 9.125 1.00 0.00 N ATOM 668 CA LYS A 41 -10.395 2.342 7.766 1.00 0.00 C ATOM 669 C LYS A 41 -10.585 3.660 6.968 1.00 0.00 C ATOM 670 O LYS A 41 -11.112 3.638 5.853 1.00 0.00 O ATOM 671 CB LYS A 41 -11.712 1.529 7.855 1.00 0.00 C ATOM 672 CG LYS A 41 -11.513 0.077 8.353 1.00 0.00 C ATOM 673 CD LYS A 41 -12.832 -0.729 8.389 1.00 0.00 C ATOM 674 CE LYS A 41 -12.628 -2.181 8.842 1.00 0.00 C ATOM 675 NZ LYS A 41 -13.905 -2.936 8.871 1.00 0.00 N ATOM 0 H LYS A 41 -8.965 1.971 9.265 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.661 1.779 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.401 2.043 8.525 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.182 1.506 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.800 -0.431 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.077 0.097 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.534 -0.238 9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.284 -0.722 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.929 -2.676 8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.177 -2.192 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.724 -3.912 9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.564 -2.478 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.323 -2.948 7.919 1.00 0.00 H new ATOM 689 N ARG A 42 -10.110 4.788 7.525 1.00 0.00 N ATOM 690 CA ARG A 42 -10.223 6.118 6.910 1.00 0.00 C ATOM 691 C ARG A 42 -9.156 6.251 5.816 1.00 0.00 C ATOM 692 O ARG A 42 -9.407 6.752 4.711 1.00 0.00 O ATOM 693 CB ARG A 42 -9.995 7.214 7.988 1.00 0.00 C ATOM 694 CG ARG A 42 -10.986 7.206 9.178 1.00 0.00 C ATOM 695 CD ARG A 42 -10.638 8.295 10.215 1.00 0.00 C ATOM 696 NE ARG A 42 -11.586 8.351 11.346 1.00 0.00 N ATOM 697 CZ ARG A 42 -12.213 9.461 11.788 1.00 0.00 C ATOM 698 NH1 ARG A 42 -12.012 10.641 11.207 1.00 0.00 N ATOM 699 NH2 ARG A 42 -13.038 9.381 12.821 1.00 0.00 N ATOM 0 H ARG A 42 -9.631 4.799 8.426 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.217 6.240 6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.984 7.106 8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.046 8.189 7.504 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.999 7.365 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.971 6.228 9.658 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.635 8.113 10.600 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.618 9.265 9.719 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.783 7.477 11.834 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.375 10.717 10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.495 11.470 11.555 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.197 8.483 13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.514 10.217 13.159 1.00 0.00 H new ATOM 713 N PHE A 43 -7.967 5.743 6.153 1.00 0.00 N ATOM 714 CA PHE A 43 -6.758 5.893 5.354 1.00 0.00 C ATOM 715 C PHE A 43 -5.847 4.693 5.600 1.00 0.00 C ATOM 716 O PHE A 43 -6.109 3.867 6.481 1.00 0.00 O ATOM 717 CB PHE A 43 -6.030 7.230 5.697 1.00 0.00 C ATOM 718 CG PHE A 43 -5.422 7.320 7.104 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.226 7.565 8.218 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.045 7.166 7.309 1.00 0.00 C ATOM 721 CE1 PHE A 43 -5.680 7.655 9.481 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.502 7.259 8.574 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.319 7.504 9.656 1.00 0.00 C ATOM 0 H PHE A 43 -7.820 5.206 7.007 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.023 5.930 4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.235 7.386 4.968 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.739 8.049 5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.291 7.686 8.089 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.399 6.972 6.465 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.317 7.843 10.333 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.438 7.140 8.716 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.893 7.578 10.646 1.00 0.00 H new ATOM 733 N VAL A 44 -4.770 4.625 4.822 1.00 0.00 N ATOM 734 CA VAL A 44 -3.740 3.593 4.931 1.00 0.00 C ATOM 735 C VAL A 44 -2.396 4.273 5.171 1.00 0.00 C ATOM 736 O VAL A 44 -2.039 5.211 4.453 1.00 0.00 O ATOM 737 CB VAL A 44 -3.659 2.714 3.630 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.554 1.636 3.739 1.00 0.00 C ATOM 739 CG2 VAL A 44 -5.025 2.077 3.316 1.00 0.00 C ATOM 0 H VAL A 44 -4.584 5.301 4.081 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.994 2.933 5.760 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.391 3.371 2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.528 1.048 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.588 2.119 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.767 0.981 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.946 1.473 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.332 1.444 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.766 2.862 3.164 1.00 0.00 H new ATOM 749 N ARG A 45 -1.663 3.784 6.174 1.00 0.00 N ATOM 750 CA ARG A 45 -0.308 4.221 6.465 1.00 0.00 C ATOM 751 C ARG A 45 0.649 3.323 5.682 1.00 0.00 C ATOM 752 O ARG A 45 0.562 2.084 5.757 1.00 0.00 O ATOM 753 CB ARG A 45 0.008 4.141 7.984 1.00 0.00 C ATOM 754 CG ARG A 45 1.474 4.509 8.336 1.00 0.00 C ATOM 755 CD ARG A 45 1.752 4.542 9.845 1.00 0.00 C ATOM 756 NE ARG A 45 1.607 3.225 10.490 1.00 0.00 N ATOM 757 CZ ARG A 45 1.607 3.028 11.820 1.00 0.00 C ATOM 758 NH1 ARG A 45 1.741 4.049 12.669 1.00 0.00 N ATOM 759 NH2 ARG A 45 1.505 1.802 12.298 1.00 0.00 N ATOM 0 H ARG A 45 -2.004 3.064 6.811 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.194 5.264 6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.664 4.810 8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.198 3.130 8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.144 3.788 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.707 5.485 7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.763 4.913 10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.070 5.248 10.318 1.00 0.00 H new ATOM 0 HE ARG A 45 1.500 2.409 9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.846 4.999 12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.739 3.880 13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.427 1.011 11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.504 1.646 13.306 1.00 0.00 H new ATOM 773 N VAL A 46 1.531 3.961 4.920 1.00 0.00 N ATOM 774 CA VAL A 46 2.628 3.285 4.247 1.00 0.00 C ATOM 775 C VAL A 46 3.734 3.093 5.279 1.00 0.00 C ATOM 776 O VAL A 46 4.391 4.063 5.694 1.00 0.00 O ATOM 777 CB VAL A 46 3.164 4.119 3.029 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.313 3.386 2.292 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.014 4.488 2.065 1.00 0.00 C ATOM 0 H VAL A 46 1.503 4.967 4.753 1.00 0.00 H new ATOM 0 HA VAL A 46 2.286 2.330 3.847 1.00 0.00 H new ATOM 0 HB VAL A 46 3.581 5.047 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.656 3.995 1.456 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.140 3.219 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.953 2.428 1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.410 5.065 1.230 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.549 3.577 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.270 5.082 2.596 1.00 0.00 H new ATOM 789 N THR A 47 3.901 1.847 5.719 1.00 0.00 N ATOM 790 CA THR A 47 4.902 1.480 6.702 1.00 0.00 C ATOM 791 C THR A 47 6.189 1.153 5.958 1.00 0.00 C ATOM 792 O THR A 47 6.177 0.325 5.049 1.00 0.00 O ATOM 793 CB THR A 47 4.435 0.260 7.551 1.00 0.00 C ATOM 794 OG1 THR A 47 3.178 0.573 8.169 1.00 0.00 O ATOM 795 CG2 THR A 47 5.463 -0.160 8.631 1.00 0.00 C ATOM 0 H THR A 47 3.337 1.061 5.396 1.00 0.00 H new ATOM 0 HA THR A 47 5.063 2.308 7.393 1.00 0.00 H new ATOM 0 HB THR A 47 4.333 -0.588 6.874 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.065 0.027 8.975 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.078 -1.015 9.187 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.403 -0.433 8.152 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.632 0.672 9.315 1.00 0.00 H new ATOM 803 N PHE A 48 7.269 1.853 6.304 1.00 0.00 N ATOM 804 CA PHE A 48 8.592 1.601 5.736 1.00 0.00 C ATOM 805 C PHE A 48 9.260 0.445 6.478 1.00 0.00 C ATOM 806 O PHE A 48 9.018 0.247 7.685 1.00 0.00 O ATOM 807 CB PHE A 48 9.464 2.872 5.805 1.00 0.00 C ATOM 808 CG PHE A 48 8.913 4.032 4.976 1.00 0.00 C ATOM 809 CD1 PHE A 48 7.973 4.920 5.514 1.00 0.00 C ATOM 810 CD2 PHE A 48 9.322 4.227 3.657 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.469 5.960 4.760 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.813 5.268 2.908 1.00 0.00 C ATOM 813 CZ PHE A 48 7.888 6.133 3.459 1.00 0.00 C ATOM 0 H PHE A 48 7.251 2.611 6.986 1.00 0.00 H new ATOM 0 HA PHE A 48 8.481 1.328 4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.552 3.188 6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.470 2.633 5.459 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.638 4.789 6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.045 3.556 3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.746 6.638 5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.139 5.407 1.888 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.492 6.946 2.869 1.00 0.00 H new ATOM 823 N THR A 49 10.072 -0.319 5.735 1.00 0.00 N ATOM 824 CA THR A 49 10.857 -1.432 6.276 1.00 0.00 C ATOM 825 C THR A 49 11.817 -0.912 7.384 1.00 0.00 C ATOM 826 O THR A 49 12.555 0.054 7.130 1.00 0.00 O ATOM 827 CB THR A 49 11.650 -2.159 5.134 1.00 0.00 C ATOM 828 OG1 THR A 49 12.455 -1.227 4.410 1.00 0.00 O ATOM 829 CG2 THR A 49 10.713 -2.876 4.145 1.00 0.00 C ATOM 0 H THR A 49 10.202 -0.179 4.733 1.00 0.00 H new ATOM 0 HA THR A 49 10.179 -2.160 6.721 1.00 0.00 H new ATOM 0 HB THR A 49 12.281 -2.905 5.617 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.767 -0.524 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.306 -3.365 3.372 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.124 -3.623 4.678 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.045 -2.148 3.684 1.00 0.00 H new ATOM 960 N TYR A 59 6.580 8.766 8.480 1.00 0.00 N ATOM 961 CA TYR A 59 5.853 7.876 7.570 1.00 0.00 C ATOM 962 C TYR A 59 4.859 8.659 6.710 1.00 0.00 C ATOM 963 O TYR A 59 4.434 9.761 7.066 1.00 0.00 O ATOM 964 CB TYR A 59 5.130 6.765 8.380 1.00 0.00 C ATOM 965 CG TYR A 59 6.047 5.631 8.880 1.00 0.00 C ATOM 966 CD1 TYR A 59 7.407 5.836 9.171 1.00 0.00 C ATOM 967 CD2 TYR A 59 5.545 4.340 9.038 1.00 0.00 C ATOM 968 CE1 TYR A 59 8.212 4.797 9.598 1.00 0.00 C ATOM 969 CE2 TYR A 59 6.351 3.306 9.463 1.00 0.00 C ATOM 970 CZ TYR A 59 7.678 3.537 9.739 1.00 0.00 C ATOM 971 OH TYR A 59 8.478 2.492 10.159 1.00 0.00 O ATOM 0 HA TYR A 59 6.571 7.408 6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.639 7.222 9.239 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.346 6.332 7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.830 6.823 9.059 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.504 4.146 8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.254 4.973 9.820 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.940 2.314 9.579 1.00 0.00 H new ATOM 0 HH TYR A 59 7.945 1.671 10.207 1.00 0.00 H new ATOM 981 N VAL A 60 4.504 8.075 5.573 1.00 0.00 N ATOM 982 CA VAL A 60 3.550 8.668 4.631 1.00 0.00 C ATOM 983 C VAL A 60 2.251 7.853 4.643 1.00 0.00 C ATOM 984 O VAL A 60 2.220 6.741 5.180 1.00 0.00 O ATOM 985 CB VAL A 60 4.169 8.771 3.188 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.396 9.714 3.189 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.547 7.386 2.618 1.00 0.00 C ATOM 0 H VAL A 60 4.869 7.171 5.272 1.00 0.00 H new ATOM 0 HA VAL A 60 3.319 9.687 4.943 1.00 0.00 H new ATOM 0 HB VAL A 60 3.403 9.190 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.811 9.773 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.090 10.708 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.153 9.326 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.970 7.506 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.282 6.913 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.656 6.760 2.561 1.00 0.00 H new ATOM 997 N TRP A 61 1.182 8.432 4.089 1.00 0.00 N ATOM 998 CA TRP A 61 -0.169 7.846 4.139 1.00 0.00 C ATOM 999 C TRP A 61 -1.026 8.402 2.993 1.00 0.00 C ATOM 1000 O TRP A 61 -0.681 9.416 2.393 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.842 8.158 5.510 1.00 0.00 C ATOM 1002 CG TRP A 61 -1.093 9.637 5.754 1.00 0.00 C ATOM 1003 CD1 TRP A 61 -0.211 10.556 6.236 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.311 10.354 5.522 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.799 11.794 6.307 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -2.087 11.694 5.877 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.561 9.986 5.048 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -3.073 12.664 5.766 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.537 10.943 4.940 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.293 12.271 5.293 1.00 0.00 C ATOM 0 H TRP A 61 1.224 9.321 3.592 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.087 6.765 4.027 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.791 7.625 5.567 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -0.210 7.771 6.309 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.808 10.341 6.522 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.345 12.649 6.629 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.763 8.962 4.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.883 13.690 6.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.514 10.664 4.574 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.082 13.001 5.190 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.165 7.745 2.737 1.00 0.00 N ATOM 1022 CA PHE A 62 -3.147 8.183 1.729 1.00 0.00 C ATOM 1023 C PHE A 62 -4.564 7.768 2.161 1.00 0.00 C ATOM 1024 O PHE A 62 -4.755 6.672 2.706 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.794 7.612 0.316 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.583 6.095 0.255 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.322 5.539 0.488 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.641 5.225 -0.024 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.129 4.171 0.444 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.440 3.860 -0.063 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.186 3.334 0.170 1.00 0.00 C ATOM 0 H PHE A 62 -2.435 6.890 3.224 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.113 9.270 1.657 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.593 7.879 -0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.888 8.103 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.486 6.188 0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.626 5.625 -0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.147 3.759 0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.268 3.201 -0.277 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.034 2.265 0.137 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.548 8.648 1.897 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.972 8.379 2.166 1.00 0.00 C ATOM 1043 C ASN A 63 -7.498 7.421 1.109 1.00 0.00 C ATOM 1044 O ASN A 63 -7.146 7.536 -0.071 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.835 9.680 2.162 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.726 10.494 3.448 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -7.553 9.944 4.535 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -7.856 11.805 3.347 1.00 0.00 N ATOM 0 H ASN A 63 -5.377 9.568 1.490 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.048 7.943 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.532 10.304 1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.879 9.412 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.814 12.388 4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.998 12.234 2.433 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.331 6.477 1.538 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.953 5.499 0.642 1.00 0.00 C ATOM 1057 C ILE A 64 -10.472 5.698 0.614 1.00 0.00 C ATOM 1058 O ILE A 64 -11.067 5.718 -0.470 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.580 4.024 1.046 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.962 3.719 2.534 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -7.074 3.770 0.788 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.697 2.297 2.982 1.00 0.00 C ATOM 0 H ILE A 64 -8.596 6.366 2.517 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.563 5.664 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.160 3.342 0.424 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.408 4.398 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.021 3.937 2.674 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.824 2.747 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.856 3.918 -0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.481 4.465 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.993 2.183 4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.272 1.608 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.635 2.075 2.880 1.00 0.00 H new ATOM 1074 N GLY A 65 -11.081 5.901 1.804 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.537 5.922 1.944 1.00 0.00 C ATOM 1076 C GLY A 65 -13.146 4.541 1.727 1.00 0.00 C ATOM 1077 O GLY A 65 -13.542 3.871 2.687 1.00 0.00 O ATOM 0 H GLY A 65 -10.577 6.052 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.802 6.284 2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.961 6.623 1.226 1.00 0.00 H new ATOM 1081 N SER A 66 -13.194 4.121 0.454 1.00 0.00 N ATOM 1082 CA SER A 66 -13.625 2.788 0.039 1.00 0.00 C ATOM 1083 C SER A 66 -12.462 1.793 0.232 1.00 0.00 C ATOM 1084 O SER A 66 -11.540 1.743 -0.593 1.00 0.00 O ATOM 1085 CB SER A 66 -14.069 2.848 -1.435 1.00 0.00 C ATOM 1086 OG SER A 66 -15.002 3.895 -1.642 1.00 0.00 O ATOM 0 H SER A 66 -12.927 4.717 -0.330 1.00 0.00 H new ATOM 0 HA SER A 66 -14.466 2.449 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.199 2.999 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.515 1.896 -1.723 1.00 0.00 H new ATOM 0 HG SER A 66 -15.268 3.915 -2.585 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.489 1.071 1.371 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.471 0.051 1.727 1.00 0.00 C ATOM 1094 C VAL A 67 -11.409 -1.065 0.662 1.00 0.00 C ATOM 1095 O VAL A 67 -10.327 -1.544 0.318 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.730 -0.584 3.154 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.582 -1.549 3.576 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.945 0.513 4.224 1.00 0.00 C ATOM 0 H VAL A 67 -13.219 1.177 2.075 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.512 0.568 1.761 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.644 -1.173 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.798 -1.963 4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.503 -2.359 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.641 -1.001 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.120 0.046 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.059 1.145 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.808 1.122 3.953 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.592 -1.429 0.124 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.751 -2.441 -0.934 1.00 0.00 C ATOM 1110 C ASP A 68 -11.940 -2.058 -2.182 1.00 0.00 C ATOM 1111 O ASP A 68 -11.161 -2.865 -2.685 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.258 -2.587 -1.287 1.00 0.00 C ATOM 1113 CG ASP A 68 -14.524 -3.496 -2.502 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -14.429 -4.731 -2.359 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -14.857 -2.985 -3.592 1.00 0.00 O ATOM 0 H ASP A 68 -13.478 -1.019 0.420 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.373 -3.396 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.788 -2.987 -0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.673 -1.599 -1.486 1.00 0.00 H new ATOM 1120 N THR A 69 -12.117 -0.796 -2.631 1.00 0.00 N ATOM 1121 CA THR A 69 -11.438 -0.243 -3.809 1.00 0.00 C ATOM 1122 C THR A 69 -9.906 -0.303 -3.645 1.00 0.00 C ATOM 1123 O THR A 69 -9.208 -0.738 -4.562 1.00 0.00 O ATOM 1124 CB THR A 69 -11.902 1.227 -4.056 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.336 1.265 -4.166 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.284 1.843 -5.322 1.00 0.00 C ATOM 0 H THR A 69 -12.743 -0.131 -2.177 1.00 0.00 H new ATOM 0 HA THR A 69 -11.707 -0.849 -4.674 1.00 0.00 H new ATOM 0 HB THR A 69 -11.561 1.817 -3.205 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.628 2.188 -4.319 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.643 2.865 -5.442 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.198 1.848 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.572 1.253 -6.192 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.416 0.116 -2.451 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.989 0.024 -2.058 1.00 0.00 C ATOM 1136 C PHE A 70 -7.432 -1.390 -2.300 1.00 0.00 C ATOM 1137 O PHE A 70 -6.388 -1.547 -2.938 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.825 0.412 -0.553 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.504 -0.023 0.098 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.285 0.532 -0.304 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.479 -1.014 1.089 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -4.095 0.112 0.261 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.286 -1.425 1.652 1.00 0.00 C ATOM 1144 CZ PHE A 70 -4.098 -0.865 1.238 1.00 0.00 C ATOM 0 H PHE A 70 -10.006 0.530 -1.729 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.422 0.720 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.916 1.494 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.649 -0.026 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.273 1.298 -1.065 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.405 -1.463 1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.161 0.548 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.285 -2.187 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.167 -1.190 1.678 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.164 -2.396 -1.785 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.735 -3.799 -1.797 1.00 0.00 C ATOM 1156 C GLU A 71 -7.707 -4.369 -3.220 1.00 0.00 C ATOM 1157 O GLU A 71 -6.728 -5.014 -3.592 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.654 -4.656 -0.904 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.660 -4.249 0.577 1.00 0.00 C ATOM 1160 CD GLU A 71 -9.486 -5.215 1.423 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -8.994 -6.337 1.676 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -10.629 -4.886 1.812 1.00 0.00 O ATOM 0 H GLU A 71 -9.074 -2.253 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.720 -3.832 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.672 -4.596 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.345 -5.698 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.637 -4.221 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.064 -3.241 0.676 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.787 -4.105 -4.010 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.904 -4.588 -5.405 1.00 0.00 C ATOM 1171 C ARG A 72 -7.726 -4.070 -6.235 1.00 0.00 C ATOM 1172 O ARG A 72 -7.095 -4.828 -6.978 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.226 -4.126 -6.091 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.534 -4.500 -5.367 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.788 -4.116 -6.191 1.00 0.00 C ATOM 1176 NE ARG A 72 -12.627 -2.819 -6.898 1.00 0.00 N ATOM 1177 CZ ARG A 72 -13.459 -1.766 -6.847 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -14.556 -1.789 -6.101 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -13.167 -0.680 -7.552 1.00 0.00 N ATOM 0 H ARG A 72 -9.588 -3.558 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.905 -5.677 -5.360 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.194 -3.042 -6.202 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.257 -4.549 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.545 -5.572 -5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.569 -3.998 -4.400 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.995 -4.900 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.652 -4.061 -5.528 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.798 -2.718 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.782 -2.618 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.174 -0.978 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.321 -0.654 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.788 0.128 -7.524 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.443 -2.761 -6.071 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.364 -2.066 -6.781 1.00 0.00 C ATOM 1195 C ASN A 73 -5.003 -2.613 -6.360 1.00 0.00 C ATOM 1196 O ASN A 73 -4.147 -2.817 -7.205 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.425 -0.534 -6.518 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.687 0.128 -7.078 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.261 -0.320 -8.072 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.134 1.193 -6.442 1.00 0.00 N ATOM 0 H ASN A 73 -7.965 -2.157 -5.436 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.498 -2.241 -7.848 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.375 -0.355 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.548 -0.061 -6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.975 1.668 -6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.639 1.542 -5.622 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.828 -2.836 -5.042 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.561 -3.318 -4.465 1.00 0.00 C ATOM 1209 C LEU A 74 -3.184 -4.727 -4.975 1.00 0.00 C ATOM 1210 O LEU A 74 -2.062 -4.927 -5.436 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.637 -3.289 -2.915 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.320 -3.651 -2.151 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.157 -2.709 -2.537 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.554 -3.665 -0.630 1.00 0.00 C ATOM 0 H LEU A 74 -5.562 -2.687 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.770 -2.645 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.949 -2.291 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.418 -3.980 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.028 -4.657 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.261 -2.993 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.965 -2.788 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.424 -1.681 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.624 -3.919 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.888 -2.680 -0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.315 -4.406 -0.386 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.130 -5.689 -4.900 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.878 -7.097 -5.295 1.00 0.00 C ATOM 1228 C GLU A 75 -3.660 -7.232 -6.819 1.00 0.00 C ATOM 1229 O GLU A 75 -2.844 -8.055 -7.265 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.012 -8.024 -4.756 1.00 0.00 C ATOM 1231 CG GLU A 75 -6.466 -7.710 -5.228 1.00 0.00 C ATOM 1232 CD GLU A 75 -6.939 -8.534 -6.441 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.339 -9.705 -6.253 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -6.927 -8.021 -7.575 1.00 0.00 O ATOM 0 H GLU A 75 -5.079 -5.517 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.947 -7.427 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.777 -9.049 -5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.993 -7.985 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.149 -7.886 -4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.532 -6.651 -5.477 1.00 0.00 H new ATOM 1241 N THR A 76 -4.379 -6.395 -7.606 1.00 0.00 N ATOM 1242 CA THR A 76 -4.157 -6.273 -9.063 1.00 0.00 C ATOM 1243 C THR A 76 -2.739 -5.724 -9.324 1.00 0.00 C ATOM 1244 O THR A 76 -1.955 -6.309 -10.060 1.00 0.00 O ATOM 1245 CB THR A 76 -5.208 -5.326 -9.748 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.543 -5.794 -9.502 1.00 0.00 O ATOM 1247 CG2 THR A 76 -4.994 -5.214 -11.272 1.00 0.00 C ATOM 0 H THR A 76 -5.121 -5.792 -7.251 1.00 0.00 H new ATOM 0 HA THR A 76 -4.271 -7.267 -9.495 1.00 0.00 H new ATOM 0 HB THR A 76 -5.067 -4.338 -9.309 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.835 -5.499 -8.614 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.746 -4.549 -11.697 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.000 -4.813 -11.471 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.085 -6.201 -11.726 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.443 -4.602 -8.659 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.156 -3.888 -8.758 1.00 0.00 C ATOM 1257 C LEU A 77 0.048 -4.806 -8.493 1.00 0.00 C ATOM 1258 O LEU A 77 1.057 -4.742 -9.202 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.164 -2.723 -7.762 1.00 0.00 C ATOM 1260 CG LEU A 77 0.073 -1.797 -7.764 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.300 -1.170 -9.156 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.086 -0.736 -6.676 1.00 0.00 C ATOM 0 H LEU A 77 -3.102 -4.152 -8.023 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.048 -3.520 -9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.045 -2.113 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.279 -3.134 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 77 0.963 -2.386 -7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.177 -0.524 -9.125 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.457 -1.960 -9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.574 -0.582 -9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.786 -0.082 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.982 -0.147 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.175 -1.222 -5.704 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.095 -5.653 -7.468 1.00 0.00 N ATOM 1275 CA GLN A 78 0.920 -6.628 -7.085 1.00 0.00 C ATOM 1276 C GLN A 78 1.127 -7.671 -8.197 1.00 0.00 C ATOM 1277 O GLN A 78 2.265 -7.922 -8.590 1.00 0.00 O ATOM 1278 CB GLN A 78 0.539 -7.283 -5.732 1.00 0.00 C ATOM 1279 CG GLN A 78 0.640 -6.311 -4.530 1.00 0.00 C ATOM 1280 CD GLN A 78 0.212 -6.944 -3.209 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.030 -7.492 -2.465 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -1.077 -6.883 -2.908 1.00 0.00 N ATOM 0 H GLN A 78 -0.927 -5.678 -6.879 1.00 0.00 H new ATOM 0 HA GLN A 78 1.874 -6.118 -6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.479 -7.666 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.191 -8.138 -5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.668 -5.959 -4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.019 -5.437 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.728 -6.423 -3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.418 -7.296 -2.040 1.00 0.00 H new ATOM 1291 N GLN A 79 0.024 -8.211 -8.769 1.00 0.00 N ATOM 1292 CA GLN A 79 0.129 -9.260 -9.815 1.00 0.00 C ATOM 1293 C GLN A 79 0.688 -8.663 -11.144 1.00 0.00 C ATOM 1294 O GLN A 79 1.312 -9.383 -11.941 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.221 -10.005 -10.050 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.298 -9.224 -10.831 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.564 -10.033 -11.122 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -3.951 -10.922 -10.356 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -4.221 -9.737 -12.233 1.00 0.00 N ATOM 0 H GLN A 79 -0.931 -7.945 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 79 0.835 -10.007 -9.451 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.013 -10.932 -10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.634 -10.282 -9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.570 -8.334 -10.264 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.872 -8.883 -11.775 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.878 -8.998 -12.847 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.070 -10.248 -12.475 1.00 0.00 H new ATOM 1308 N GLU A 80 0.460 -7.342 -11.359 1.00 0.00 N ATOM 1309 CA GLU A 80 1.014 -6.580 -12.505 1.00 0.00 C ATOM 1310 C GLU A 80 2.533 -6.438 -12.378 1.00 0.00 C ATOM 1311 O GLU A 80 3.275 -6.749 -13.311 1.00 0.00 O ATOM 1312 CB GLU A 80 0.374 -5.169 -12.583 1.00 0.00 C ATOM 1313 CG GLU A 80 -1.135 -5.169 -12.861 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.722 -3.756 -12.880 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -1.681 -3.101 -13.938 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -2.206 -3.279 -11.836 1.00 0.00 O ATOM 0 H GLU A 80 -0.116 -6.774 -10.738 1.00 0.00 H new ATOM 0 HA GLU A 80 0.781 -7.132 -13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.557 -4.648 -11.643 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.875 -4.600 -13.366 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.326 -5.652 -13.819 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.643 -5.761 -12.099 1.00 0.00 H new ATOM 1323 N LEU A 81 2.979 -5.988 -11.191 1.00 0.00 N ATOM 1324 CA LEU A 81 4.405 -5.713 -10.914 1.00 0.00 C ATOM 1325 C LEU A 81 5.182 -7.010 -10.569 1.00 0.00 C ATOM 1326 O LEU A 81 6.370 -6.954 -10.216 1.00 0.00 O ATOM 1327 CB LEU A 81 4.526 -4.661 -9.775 1.00 0.00 C ATOM 1328 CG LEU A 81 3.895 -3.252 -10.044 1.00 0.00 C ATOM 1329 CD1 LEU A 81 4.045 -2.327 -8.810 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.484 -2.598 -11.317 1.00 0.00 C ATOM 0 H LEU A 81 2.365 -5.805 -10.398 1.00 0.00 H new ATOM 0 HA LEU A 81 4.859 -5.306 -11.817 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.063 -5.075 -8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.584 -4.522 -9.552 1.00 0.00 H new ATOM 0 HG LEU A 81 2.829 -3.398 -10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.598 -1.357 -9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.540 -2.777 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.102 -2.196 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.023 -1.623 -11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.561 -2.476 -11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.284 -3.235 -12.179 1.00 0.00 H new ATOM 1342 N GLY A 82 4.499 -8.171 -10.673 1.00 0.00 N ATOM 1343 CA GLY A 82 5.142 -9.480 -10.543 1.00 0.00 C ATOM 1344 C GLY A 82 5.417 -9.898 -9.104 1.00 0.00 C ATOM 1345 O GLY A 82 6.255 -10.778 -8.868 1.00 0.00 O ATOM 0 H GLY A 82 3.495 -8.219 -10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.509 -10.232 -11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.083 -9.467 -11.092 1.00 0.00 H new ATOM 1349 N ILE A 83 4.706 -9.263 -8.153 1.00 0.00 N ATOM 1350 CA ILE A 83 4.800 -9.570 -6.719 1.00 0.00 C ATOM 1351 C ILE A 83 4.201 -10.974 -6.447 1.00 0.00 C ATOM 1352 O ILE A 83 3.016 -11.222 -6.696 1.00 0.00 O ATOM 1353 CB ILE A 83 4.076 -8.461 -5.830 1.00 0.00 C ATOM 1354 CG1 ILE A 83 4.981 -7.208 -5.584 1.00 0.00 C ATOM 1355 CG2 ILE A 83 3.562 -9.018 -4.485 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.244 -6.347 -6.795 1.00 0.00 C ATOM 0 H ILE A 83 4.045 -8.516 -8.364 1.00 0.00 H new ATOM 0 HA ILE A 83 5.853 -9.568 -6.436 1.00 0.00 H new ATOM 0 HB ILE A 83 3.211 -8.145 -6.413 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.515 -6.591 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.938 -7.545 -5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.078 -8.220 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.844 -9.816 -4.672 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.400 -9.412 -3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.880 -5.508 -6.514 1.00 0.00 H new ATOM 0 HD12 ILE A 83 5.743 -6.940 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.299 -5.970 -7.186 1.00 0.00 H new ATOM 1368 N GLU A 84 5.057 -11.877 -5.961 1.00 0.00 N ATOM 1369 CA GLU A 84 4.683 -13.226 -5.497 1.00 0.00 C ATOM 1370 C GLU A 84 4.656 -13.225 -3.958 1.00 0.00 C ATOM 1371 O GLU A 84 4.875 -12.166 -3.346 1.00 0.00 O ATOM 1372 CB GLU A 84 5.678 -14.276 -6.057 1.00 0.00 C ATOM 1373 CG GLU A 84 5.764 -14.278 -7.596 1.00 0.00 C ATOM 1374 CD GLU A 84 6.808 -15.259 -8.139 1.00 0.00 C ATOM 1375 OE1 GLU A 84 8.009 -14.923 -8.123 1.00 0.00 O ATOM 1376 OE2 GLU A 84 6.440 -16.371 -8.575 1.00 0.00 O ATOM 0 H GLU A 84 6.056 -11.690 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 84 3.692 -13.495 -5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.669 -14.083 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.379 -15.267 -5.716 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.787 -14.532 -8.008 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.005 -13.273 -7.942 1.00 0.00 H new ATOM 1383 N GLY A 85 4.345 -14.399 -3.361 1.00 0.00 N ATOM 1384 CA GLY A 85 4.163 -14.573 -1.903 1.00 0.00 C ATOM 1385 C GLY A 85 5.176 -13.856 -1.003 1.00 0.00 C ATOM 1386 O GLY A 85 4.800 -13.349 0.060 1.00 0.00 O ATOM 0 H GLY A 85 4.212 -15.263 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.164 -14.226 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.200 -15.639 -1.678 1.00 0.00 H new ATOM 1390 N GLU A 86 6.442 -13.794 -1.443 1.00 0.00 N ATOM 1391 CA GLU A 86 7.549 -13.204 -0.662 1.00 0.00 C ATOM 1392 C GLU A 86 7.484 -11.662 -0.670 1.00 0.00 C ATOM 1393 O GLU A 86 7.813 -11.018 0.330 1.00 0.00 O ATOM 1394 CB GLU A 86 8.938 -13.666 -1.198 1.00 0.00 C ATOM 1395 CG GLU A 86 9.147 -15.202 -1.290 1.00 0.00 C ATOM 1396 CD GLU A 86 8.662 -15.821 -2.616 1.00 0.00 C ATOM 1397 OE1 GLU A 86 7.461 -16.135 -2.747 1.00 0.00 O ATOM 1398 OE2 GLU A 86 9.489 -15.990 -3.539 1.00 0.00 O ATOM 0 H GLU A 86 6.732 -14.152 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 86 7.433 -13.558 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.085 -13.238 -2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.712 -13.250 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.207 -15.423 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.621 -15.680 -0.464 1.00 0.00 H new ATOM 1405 N ASN A 87 7.082 -11.076 -1.817 1.00 0.00 N ATOM 1406 CA ASN A 87 6.986 -9.600 -1.986 1.00 0.00 C ATOM 1407 C ASN A 87 5.576 -9.076 -1.672 1.00 0.00 C ATOM 1408 O ASN A 87 5.371 -7.851 -1.703 1.00 0.00 O ATOM 1409 CB ASN A 87 7.416 -9.147 -3.424 1.00 0.00 C ATOM 1410 CG ASN A 87 8.919 -9.282 -3.700 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.747 -9.273 -2.782 1.00 0.00 O ATOM 1412 ND2 ASN A 87 9.298 -9.332 -4.972 1.00 0.00 N ATOM 0 H ASN A 87 6.816 -11.602 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 87 7.681 -9.166 -1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.868 -9.738 -4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.123 -8.107 -3.569 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.290 -9.364 -5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.597 -9.338 -5.713 1.00 0.00 H new ATOM 1419 N ARG A 88 4.598 -9.987 -1.409 1.00 0.00 N ATOM 1420 CA ARG A 88 3.229 -9.587 -1.003 1.00 0.00 C ATOM 1421 C ARG A 88 3.274 -8.756 0.280 1.00 0.00 C ATOM 1422 O ARG A 88 3.850 -9.180 1.289 1.00 0.00 O ATOM 1423 CB ARG A 88 2.272 -10.803 -0.844 1.00 0.00 C ATOM 1424 CG ARG A 88 1.850 -11.437 -2.183 1.00 0.00 C ATOM 1425 CD ARG A 88 0.865 -12.596 -2.004 1.00 0.00 C ATOM 1426 NE ARG A 88 0.525 -13.223 -3.297 1.00 0.00 N ATOM 1427 CZ ARG A 88 0.166 -14.507 -3.468 1.00 0.00 C ATOM 1428 NH1 ARG A 88 0.090 -15.347 -2.436 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -0.124 -14.947 -4.680 1.00 0.00 N ATOM 0 H ARG A 88 4.735 -10.996 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 88 2.822 -8.974 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.760 -11.561 -0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.379 -10.484 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.395 -10.674 -2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.737 -11.796 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.298 -13.343 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.044 -12.232 -1.525 1.00 0.00 H new ATOM 0 HE ARG A 88 0.566 -12.634 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.306 -15.019 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.185 -16.318 -2.588 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.075 -14.314 -5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.397 -15.920 -4.817 1.00 0.00 H new ATOM 1443 N VAL A 89 2.690 -7.557 0.198 1.00 0.00 N ATOM 1444 CA VAL A 89 2.755 -6.540 1.249 1.00 0.00 C ATOM 1445 C VAL A 89 1.575 -6.734 2.226 1.00 0.00 C ATOM 1446 O VAL A 89 0.426 -6.481 1.843 1.00 0.00 O ATOM 1447 CB VAL A 89 2.767 -5.101 0.606 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.798 -3.983 1.676 1.00 0.00 C ATOM 1449 CG2 VAL A 89 3.965 -4.976 -0.369 1.00 0.00 C ATOM 0 H VAL A 89 2.150 -7.262 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 89 3.679 -6.647 1.818 1.00 0.00 H new ATOM 0 HB VAL A 89 1.838 -4.971 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.805 -3.010 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.916 -4.063 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.695 -4.088 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.971 -3.980 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.896 -5.136 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.872 -5.723 -1.157 1.00 0.00 H new ATOM 1459 N PRO A 90 1.845 -7.217 3.490 1.00 0.00 N ATOM 1460 CA PRO A 90 0.787 -7.549 4.480 1.00 0.00 C ATOM 1461 C PRO A 90 -0.113 -6.339 4.815 1.00 0.00 C ATOM 1462 O PRO A 90 0.370 -5.256 5.143 1.00 0.00 O ATOM 1463 CB PRO A 90 1.577 -8.059 5.727 1.00 0.00 C ATOM 1464 CG PRO A 90 2.986 -7.577 5.537 1.00 0.00 C ATOM 1465 CD PRO A 90 3.205 -7.481 4.043 1.00 0.00 C ATOM 0 HA PRO A 90 0.091 -8.295 4.097 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.149 -7.666 6.649 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.541 -9.146 5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.133 -6.608 6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.697 -8.267 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.899 -6.679 3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.626 -8.403 3.642 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.430 -6.561 4.724 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.451 -5.532 4.947 1.00 0.00 C ATOM 1475 C VAL A 91 -3.011 -5.722 6.362 1.00 0.00 C ATOM 1476 O VAL A 91 -3.723 -6.703 6.626 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.601 -5.641 3.872 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.658 -4.520 4.048 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.008 -5.646 2.442 1.00 0.00 C ATOM 0 H VAL A 91 -1.821 -7.474 4.490 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.010 -4.540 4.848 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.118 -6.588 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.433 -4.629 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.106 -4.595 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.178 -3.547 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.815 -5.722 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.454 -4.722 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.337 -6.497 2.329 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.683 -4.789 7.273 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.051 -4.889 8.696 1.00 0.00 C ATOM 1491 C VAL A 92 -4.216 -3.931 8.957 1.00 0.00 C ATOM 1492 O VAL A 92 -4.041 -2.713 8.887 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.851 -4.530 9.655 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.243 -4.744 11.141 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.573 -5.324 9.283 1.00 0.00 C ATOM 0 H VAL A 92 -2.156 -3.946 7.044 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.330 -5.921 8.906 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.624 -3.472 9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.398 -4.489 11.781 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.091 -4.106 11.389 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.516 -5.787 11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.235 -5.053 9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.772 -6.393 9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.281 -5.086 8.260 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.398 -4.483 9.240 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.609 -3.688 9.476 1.00 0.00 C ATOM 1507 C TYR A 93 -6.558 -3.128 10.900 1.00 0.00 C ATOM 1508 O TYR A 93 -6.378 -3.882 11.865 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.872 -4.554 9.260 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.892 -5.216 7.876 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.343 -4.523 6.746 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.417 -6.522 7.697 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.317 -5.110 5.492 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.397 -7.109 6.453 1.00 0.00 C ATOM 1515 CZ TYR A 93 -7.842 -6.405 5.355 1.00 0.00 C ATOM 1516 OH TYR A 93 -7.797 -6.997 4.111 1.00 0.00 O ATOM 0 H TYR A 93 -5.544 -5.490 9.312 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.656 -2.861 8.768 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.918 -5.324 10.030 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.760 -3.933 9.377 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.717 -3.516 6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.060 -7.078 8.551 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.664 -4.563 4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.033 -8.119 6.337 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.332 -6.472 3.480 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.683 -1.809 11.010 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.616 -1.066 12.273 1.00 0.00 C ATOM 1528 C ILE A 94 -7.912 -0.241 12.390 1.00 0.00 C ATOM 1529 O ILE A 94 -8.376 0.309 11.389 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.358 -0.116 12.288 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -4.026 -0.933 12.232 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.381 0.843 13.495 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.759 -0.102 12.326 1.00 0.00 C ATOM 0 H ILE A 94 -6.838 -1.206 10.202 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.520 -1.752 13.115 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.406 0.498 11.388 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.028 -1.658 13.046 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.003 -1.499 11.301 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.498 1.481 13.470 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.277 1.462 13.451 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.385 0.265 14.419 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.890 -0.758 12.278 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.726 0.606 11.498 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.751 0.443 13.270 1.00 0.00 H new