USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 989 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 65 THR OG1 : rot 37:sc= 0.0052 USER MOD Set 1.2: A 87 TYR OH : rot 40:sc= 0.00429 USER MOD Single : A 23 ASN : amide:sc= -0.0055 K(o=-0.0055,f=-1.5) USER MOD Single : A 28 TYR OH : rot -155:sc= 0.931 USER MOD Single : A 32 CYS SG : rot 76:sc= 0.094 USER MOD Single : A 33 SER OG : rot -93:sc= 1.58 USER MOD Single : A 37 THR OG1 : rot 120:sc= 0.042 USER MOD Single : A 49 TYR OH : rot -176:sc= 0.0873 USER MOD Single : A 51 SER OG : rot -107:sc= 1.22 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000529) USER MOD Single : A 57 HIS : no HD1:sc= -0.836 K(o=-0.84,f=-0.068) USER MOD Single : A 58 SER OG : rot 3:sc= 0.689 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -159:sc= -0.121 (180deg=-0.924) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.435 USER MOD Single : A 95 SER OG : rot 160:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -3.82! C(o=-3.8!,f=-2.1!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -160:sc= 0.0018 USER MOD Single : A 107 MET CE :methyl -125:sc= -1.04 (180deg=-1.21) USER MOD Single : A 120 LYS NZ :NH3+ 148:sc= 1.27 (180deg=1.18) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 MET CE :methyl -118:sc=-0.00206 (180deg=-0.488) USER MOD Single : A 134 LYS NZ :NH3+ -153:sc= 0.837 (180deg=0.706) USER MOD Single : A 137 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.094) USER MOD Single : A 138 TYR OH : rot -130:sc= 0.387 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 305 N TRP A 22 -2.961 -14.179 1.206 1.00 0.00 N ATOM 306 CA TRP A 22 -2.849 -12.727 1.113 1.00 0.00 C ATOM 307 C TRP A 22 -3.637 -12.042 2.225 1.00 0.00 C ATOM 308 O TRP A 22 -3.385 -10.882 2.554 1.00 0.00 O ATOM 309 CB TRP A 22 -3.347 -12.249 -0.252 1.00 0.00 C ATOM 310 CG TRP A 22 -2.552 -12.791 -1.398 1.00 0.00 C ATOM 311 CD1 TRP A 22 -2.723 -13.995 -2.017 1.00 0.00 C ATOM 312 CD2 TRP A 22 -1.460 -12.148 -2.063 1.00 0.00 C ATOM 313 NE1 TRP A 22 -1.802 -14.143 -3.023 1.00 0.00 N ATOM 314 CE2 TRP A 22 -1.019 -13.019 -3.075 1.00 0.00 C ATOM 315 CE3 TRP A 22 -0.818 -10.916 -1.905 1.00 0.00 C ATOM 316 CZ2 TRP A 22 0.042 -12.702 -3.919 1.00 0.00 C ATOM 317 CZ3 TRP A 22 0.233 -10.603 -2.744 1.00 0.00 C ATOM 318 CH2 TRP A 22 0.651 -11.490 -3.743 1.00 0.00 C ATOM 0 HA TRP A 22 -1.798 -12.460 1.227 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.390 -12.541 -0.373 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.316 -11.160 -0.281 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.474 -14.725 -1.753 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.714 -14.956 -3.632 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.138 -10.223 -1.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.372 -13.388 -4.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.741 -9.657 -2.627 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.471 -11.212 -4.388 1.00 0.00 H new ATOM 329 N ASN A 23 -4.584 -12.767 2.805 1.00 0.00 N ATOM 330 CA ASN A 23 -5.417 -12.229 3.875 1.00 0.00 C ATOM 331 C ASN A 23 -4.587 -11.931 5.115 1.00 0.00 C ATOM 332 O ASN A 23 -4.899 -11.015 5.871 1.00 0.00 O ATOM 333 CB ASN A 23 -6.549 -13.200 4.223 1.00 0.00 C ATOM 334 CG ASN A 23 -7.636 -13.228 3.165 1.00 0.00 C ATOM 335 OD1 ASN A 23 -7.390 -12.937 1.994 1.00 0.00 O ATOM 336 ND2 ASN A 23 -8.848 -13.584 3.567 1.00 0.00 N ATOM 0 H ASN A 23 -4.796 -13.732 2.552 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.853 -11.296 3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -6.139 -14.203 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.986 -12.916 5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.616 -13.624 2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.012 -13.818 4.546 1.00 0.00 H new ATOM 343 N ASP A 24 -3.516 -12.692 5.311 1.00 0.00 N ATOM 344 CA ASP A 24 -2.650 -12.484 6.466 1.00 0.00 C ATOM 345 C ASP A 24 -1.792 -11.244 6.256 1.00 0.00 C ATOM 346 O ASP A 24 -1.503 -10.509 7.199 1.00 0.00 O ATOM 347 CB ASP A 24 -1.775 -13.710 6.725 1.00 0.00 C ATOM 348 CG ASP A 24 -1.764 -14.099 8.192 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.846 -14.429 8.729 1.00 0.00 O ATOM 350 OD2 ASP A 24 -0.686 -14.102 8.810 1.00 0.00 O ATOM 0 H ASP A 24 -3.229 -13.451 4.693 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.277 -12.333 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.139 -14.548 6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.756 -13.505 6.396 1.00 0.00 H new ATOM 355 N LEU A 25 -1.413 -11.004 5.002 1.00 0.00 N ATOM 356 CA LEU A 25 -0.721 -9.775 4.630 1.00 0.00 C ATOM 357 C LEU A 25 -1.603 -8.574 4.948 1.00 0.00 C ATOM 358 O LEU A 25 -1.140 -7.571 5.491 1.00 0.00 O ATOM 359 CB LEU A 25 -0.363 -9.792 3.138 1.00 0.00 C ATOM 360 CG LEU A 25 0.166 -8.468 2.568 1.00 0.00 C ATOM 361 CD1 LEU A 25 1.456 -8.053 3.255 1.00 0.00 C ATOM 362 CD2 LEU A 25 0.376 -8.582 1.066 1.00 0.00 C ATOM 0 H LEU A 25 -1.575 -11.647 4.227 1.00 0.00 H new ATOM 0 HA LEU A 25 0.203 -9.701 5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.388 -10.564 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.249 -10.082 2.573 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.580 -7.697 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.808 -7.112 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.275 -7.925 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.212 -8.824 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.751 -7.635 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.099 -9.371 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.571 -8.822 0.583 1.00 0.00 H new ATOM 374 N ALA A 26 -2.884 -8.703 4.619 1.00 0.00 N ATOM 375 CA ALA A 26 -3.863 -7.672 4.924 1.00 0.00 C ATOM 376 C ALA A 26 -3.923 -7.415 6.424 1.00 0.00 C ATOM 377 O ALA A 26 -3.883 -6.268 6.860 1.00 0.00 O ATOM 378 CB ALA A 26 -5.231 -8.067 4.392 1.00 0.00 C ATOM 0 H ALA A 26 -3.268 -9.517 4.139 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.556 -6.748 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.953 -7.285 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.177 -8.197 3.311 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.545 -9.003 4.855 1.00 0.00 H new ATOM 384 N VAL A 27 -3.998 -8.491 7.206 1.00 0.00 N ATOM 385 CA VAL A 27 -4.018 -8.388 8.665 1.00 0.00 C ATOM 386 C VAL A 27 -2.799 -7.628 9.179 1.00 0.00 C ATOM 387 O VAL A 27 -2.917 -6.777 10.060 1.00 0.00 O ATOM 388 CB VAL A 27 -4.071 -9.779 9.337 1.00 0.00 C ATOM 389 CG1 VAL A 27 -4.003 -9.657 10.854 1.00 0.00 C ATOM 390 CG2 VAL A 27 -5.329 -10.522 8.923 1.00 0.00 C ATOM 0 H VAL A 27 -4.046 -9.447 6.853 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.923 -7.839 8.927 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.203 -10.347 9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.042 -10.650 11.301 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.071 -9.168 11.138 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.847 -9.066 11.210 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.350 -11.499 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.206 -9.949 9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.336 -10.651 7.841 1.00 0.00 H new ATOM 400 N TYR A 28 -1.632 -7.930 8.622 1.00 0.00 N ATOM 401 CA TYR A 28 -0.406 -7.244 9.009 1.00 0.00 C ATOM 402 C TYR A 28 -0.530 -5.745 8.753 1.00 0.00 C ATOM 403 O TYR A 28 -0.235 -4.930 9.626 1.00 0.00 O ATOM 404 CB TYR A 28 0.789 -7.806 8.239 1.00 0.00 C ATOM 405 CG TYR A 28 2.105 -7.165 8.615 1.00 0.00 C ATOM 406 CD1 TYR A 28 2.767 -7.533 9.778 1.00 0.00 C ATOM 407 CD2 TYR A 28 2.687 -6.195 7.808 1.00 0.00 C ATOM 408 CE1 TYR A 28 3.967 -6.951 10.129 1.00 0.00 C ATOM 409 CE2 TYR A 28 3.888 -5.608 8.151 1.00 0.00 C ATOM 410 CZ TYR A 28 4.524 -5.989 9.312 1.00 0.00 C ATOM 411 OH TYR A 28 5.722 -5.411 9.653 1.00 0.00 O ATOM 0 H TYR A 28 -1.509 -8.643 7.903 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.246 -7.408 10.075 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.853 -8.879 8.417 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.620 -7.669 7.171 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.335 -8.288 10.419 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.191 -5.895 6.897 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.468 -7.247 11.039 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.326 -4.855 7.513 1.00 0.00 H new ATOM 0 HH TYR A 28 5.787 -4.525 9.239 1.00 0.00 H new ATOM 421 N ILE A 29 -0.983 -5.396 7.555 1.00 0.00 N ATOM 422 CA ILE A 29 -1.183 -4.002 7.179 1.00 0.00 C ATOM 423 C ILE A 29 -2.164 -3.332 8.137 1.00 0.00 C ATOM 424 O ILE A 29 -1.950 -2.201 8.575 1.00 0.00 O ATOM 425 CB ILE A 29 -1.705 -3.892 5.730 1.00 0.00 C ATOM 426 CG1 ILE A 29 -0.711 -4.551 4.772 1.00 0.00 C ATOM 427 CG2 ILE A 29 -1.937 -2.435 5.346 1.00 0.00 C ATOM 428 CD1 ILE A 29 -1.264 -4.790 3.384 1.00 0.00 C ATOM 0 H ILE A 29 -1.220 -6.065 6.822 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.221 -3.493 7.239 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.661 -4.411 5.661 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.176 -3.923 4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.391 -5.504 5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.304 -2.383 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.673 -1.994 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.999 -1.885 5.424 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.500 -5.260 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.134 -5.444 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.557 -3.838 2.940 1.00 0.00 H new ATOM 440 N ILE A 30 -3.222 -4.063 8.476 1.00 0.00 N ATOM 441 CA ILE A 30 -4.236 -3.603 9.420 1.00 0.00 C ATOM 442 C ILE A 30 -3.622 -3.321 10.792 1.00 0.00 C ATOM 443 O ILE A 30 -3.977 -2.351 11.455 1.00 0.00 O ATOM 444 CB ILE A 30 -5.365 -4.653 9.555 1.00 0.00 C ATOM 445 CG1 ILE A 30 -6.141 -4.760 8.241 1.00 0.00 C ATOM 446 CG2 ILE A 30 -6.300 -4.305 10.704 1.00 0.00 C ATOM 447 CD1 ILE A 30 -7.007 -5.997 8.138 1.00 0.00 C ATOM 0 H ILE A 30 -3.401 -4.995 8.102 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.657 -2.675 9.033 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.912 -5.620 9.776 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.771 -3.877 8.130 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.434 -4.754 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.084 -5.059 10.776 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.736 -4.277 11.636 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.751 -3.329 10.523 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.524 -6.000 7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.382 -6.886 8.216 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.739 -5.997 8.945 1.00 0.00 H new ATOM 459 N ARG A 31 -2.679 -4.158 11.199 1.00 0.00 N ATOM 460 CA ARG A 31 -2.029 -4.005 12.496 1.00 0.00 C ATOM 461 C ARG A 31 -1.112 -2.790 12.511 1.00 0.00 C ATOM 462 O ARG A 31 -0.914 -2.163 13.550 1.00 0.00 O ATOM 463 CB ARG A 31 -1.226 -5.256 12.842 1.00 0.00 C ATOM 464 CG ARG A 31 -2.085 -6.482 13.085 1.00 0.00 C ATOM 465 CD ARG A 31 -1.232 -7.717 13.312 1.00 0.00 C ATOM 466 NE ARG A 31 -0.356 -7.581 14.478 1.00 0.00 N ATOM 467 CZ ARG A 31 -0.044 -8.591 15.291 1.00 0.00 C ATOM 468 NH1 ARG A 31 -0.479 -9.816 15.025 1.00 0.00 N ATOM 469 NH2 ARG A 31 0.723 -8.376 16.355 1.00 0.00 N ATOM 0 H ARG A 31 -2.346 -4.951 10.651 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.810 -3.860 13.242 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.529 -5.466 12.031 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.629 -5.059 13.732 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.724 -6.315 13.952 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.742 -6.643 12.231 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.880 -8.583 13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.627 -7.906 12.425 1.00 0.00 H new ATOM 0 HE ARG A 31 0.038 -6.662 14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.052 -9.985 14.198 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.240 -10.588 15.647 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.073 -7.438 16.550 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.961 -9.149 16.976 1.00 0.00 H new ATOM 483 N CYS A 32 -0.558 -2.461 11.354 1.00 0.00 N ATOM 484 CA CYS A 32 0.362 -1.340 11.245 1.00 0.00 C ATOM 485 C CYS A 32 -0.379 -0.027 11.000 1.00 0.00 C ATOM 486 O CYS A 32 0.219 1.049 11.041 1.00 0.00 O ATOM 487 CB CYS A 32 1.368 -1.602 10.125 1.00 0.00 C ATOM 488 SG CYS A 32 2.436 -3.027 10.423 1.00 0.00 S ATOM 0 H CYS A 32 -0.730 -2.954 10.478 1.00 0.00 H new ATOM 0 HA CYS A 32 0.894 -1.244 12.192 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.827 -1.755 9.191 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.989 -0.716 9.992 1.00 0.00 H new ATOM 0 HG CYS A 32 1.765 -4.122 10.219 1.00 0.00 H new ATOM 494 N SER A 33 -1.675 -0.116 10.744 1.00 0.00 N ATOM 495 CA SER A 33 -2.486 1.069 10.516 1.00 0.00 C ATOM 496 C SER A 33 -3.654 1.135 11.503 1.00 0.00 C ATOM 497 O SER A 33 -3.585 1.836 12.516 1.00 0.00 O ATOM 498 CB SER A 33 -2.992 1.081 9.072 1.00 0.00 C ATOM 499 OG SER A 33 -3.617 -0.148 8.737 1.00 0.00 O ATOM 0 H SER A 33 -2.187 -0.996 10.689 1.00 0.00 H new ATOM 0 HA SER A 33 -1.867 1.951 10.680 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.699 1.900 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.159 1.265 8.394 1.00 0.00 H new ATOM 0 HG SER A 33 -2.960 -0.748 8.326 1.00 0.00 H new ATOM 505 N GLY A 34 -4.714 0.396 11.210 1.00 0.00 N ATOM 506 CA GLY A 34 -5.877 0.382 12.070 1.00 0.00 C ATOM 507 C GLY A 34 -6.869 1.474 11.720 1.00 0.00 C ATOM 508 O GLY A 34 -6.561 2.369 10.932 1.00 0.00 O ATOM 0 H GLY A 34 -4.788 -0.199 10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.368 -0.588 11.996 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.561 0.501 13.106 1.00 0.00 H new ATOM 512 N PRO A 35 -8.082 1.419 12.284 1.00 0.00 N ATOM 513 CA PRO A 35 -9.109 2.438 12.051 1.00 0.00 C ATOM 514 C PRO A 35 -8.700 3.794 12.620 1.00 0.00 C ATOM 515 O PRO A 35 -8.114 3.872 13.701 1.00 0.00 O ATOM 516 CB PRO A 35 -10.340 1.899 12.796 1.00 0.00 C ATOM 517 CG PRO A 35 -10.043 0.462 13.071 1.00 0.00 C ATOM 518 CD PRO A 35 -8.551 0.363 13.192 1.00 0.00 C ATOM 0 HA PRO A 35 -9.284 2.603 10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.510 2.449 13.722 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.241 2.005 12.192 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.531 0.131 13.988 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.412 -0.174 12.266 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.216 0.531 14.216 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.185 -0.619 12.894 1.00 0.00 H new ATOM 526 N GLY A 36 -9.001 4.858 11.890 1.00 0.00 N ATOM 527 CA GLY A 36 -8.670 6.190 12.363 1.00 0.00 C ATOM 528 C GLY A 36 -7.559 6.831 11.559 1.00 0.00 C ATOM 529 O GLY A 36 -7.259 8.012 11.729 1.00 0.00 O ATOM 0 H GLY A 36 -9.466 4.826 10.983 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.558 6.820 12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.372 6.137 13.410 1.00 0.00 H new ATOM 533 N THR A 37 -6.947 6.053 10.681 1.00 0.00 N ATOM 534 CA THR A 37 -5.890 6.560 9.824 1.00 0.00 C ATOM 535 C THR A 37 -6.244 6.279 8.366 1.00 0.00 C ATOM 536 O THR A 37 -7.370 5.865 8.073 1.00 0.00 O ATOM 537 CB THR A 37 -4.523 5.930 10.195 1.00 0.00 C ATOM 538 OG1 THR A 37 -3.449 6.626 9.543 1.00 0.00 O ATOM 539 CG2 THR A 37 -4.474 4.455 9.827 1.00 0.00 C ATOM 0 H THR A 37 -7.165 5.066 10.544 1.00 0.00 H new ATOM 0 HA THR A 37 -5.801 7.637 9.968 1.00 0.00 H new ATOM 0 HB THR A 37 -4.405 6.021 11.275 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.842 6.996 10.217 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.502 4.044 10.100 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.258 3.920 10.363 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.627 4.343 8.754 1.00 0.00 H new ATOM 547 N ARG A 38 -5.311 6.515 7.454 1.00 0.00 N ATOM 548 CA ARG A 38 -5.559 6.286 6.047 1.00 0.00 C ATOM 549 C ARG A 38 -4.415 5.504 5.398 1.00 0.00 C ATOM 550 O ARG A 38 -3.238 5.755 5.669 1.00 0.00 O ATOM 551 CB ARG A 38 -5.800 7.614 5.332 1.00 0.00 C ATOM 552 CG ARG A 38 -4.623 8.567 5.329 1.00 0.00 C ATOM 553 CD ARG A 38 -5.027 9.935 4.809 1.00 0.00 C ATOM 554 NE ARG A 38 -5.848 9.848 3.600 1.00 0.00 N ATOM 555 CZ ARG A 38 -5.688 10.622 2.533 1.00 0.00 C ATOM 556 NH1 ARG A 38 -4.690 11.494 2.482 1.00 0.00 N ATOM 557 NH2 ARG A 38 -6.526 10.518 1.512 1.00 0.00 N ATOM 0 H ARG A 38 -4.377 6.865 7.668 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.457 5.676 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.082 7.407 4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.649 8.112 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.226 8.662 6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.824 8.161 4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.579 10.467 5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.132 10.520 4.597 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.590 9.148 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.041 11.572 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.572 12.086 1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.291 9.845 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.406 11.111 0.691 1.00 0.00 H new ATOM 571 N VAL A 39 -4.781 4.535 4.567 1.00 0.00 N ATOM 572 CA VAL A 39 -3.820 3.667 3.892 1.00 0.00 C ATOM 573 C VAL A 39 -4.066 3.698 2.387 1.00 0.00 C ATOM 574 O VAL A 39 -5.212 3.707 1.947 1.00 0.00 O ATOM 575 CB VAL A 39 -3.936 2.210 4.401 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.930 1.304 3.708 1.00 0.00 C ATOM 577 CG2 VAL A 39 -3.747 2.154 5.906 1.00 0.00 C ATOM 0 H VAL A 39 -5.754 4.328 4.341 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.817 4.033 4.111 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.937 1.851 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.035 0.287 4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.113 1.312 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.920 1.662 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.832 1.122 6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.761 2.541 6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.512 2.760 6.392 1.00 0.00 H new ATOM 587 N VAL A 40 -3.002 3.728 1.597 1.00 0.00 N ATOM 588 CA VAL A 40 -3.140 3.802 0.147 1.00 0.00 C ATOM 589 C VAL A 40 -2.574 2.551 -0.526 1.00 0.00 C ATOM 590 O VAL A 40 -1.487 2.083 -0.179 1.00 0.00 O ATOM 591 CB VAL A 40 -2.441 5.054 -0.432 1.00 0.00 C ATOM 592 CG1 VAL A 40 -2.701 5.180 -1.928 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.892 6.313 0.294 1.00 0.00 C ATOM 0 H VAL A 40 -2.039 3.702 1.932 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.208 3.871 -0.062 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.368 4.937 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.199 6.068 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.317 4.297 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.773 5.265 -2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.386 7.180 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.970 6.431 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.644 6.232 1.352 1.00 0.00 H new ATOM 603 N GLU A 41 -3.327 2.012 -1.477 1.00 0.00 N ATOM 604 CA GLU A 41 -2.887 0.856 -2.248 1.00 0.00 C ATOM 605 C GLU A 41 -2.545 1.276 -3.678 1.00 0.00 C ATOM 606 O GLU A 41 -3.388 1.821 -4.396 1.00 0.00 O ATOM 607 CB GLU A 41 -3.973 -0.230 -2.251 1.00 0.00 C ATOM 608 CG GLU A 41 -3.607 -1.475 -3.049 1.00 0.00 C ATOM 609 CD GLU A 41 -4.662 -2.564 -2.951 1.00 0.00 C ATOM 610 OE1 GLU A 41 -5.775 -2.365 -3.478 1.00 0.00 O ATOM 611 OE2 GLU A 41 -4.391 -3.607 -2.323 1.00 0.00 O ATOM 0 H GLU A 41 -4.251 2.360 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.991 0.445 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.184 -0.520 -1.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.892 0.192 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.467 -1.203 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.654 -1.864 -2.691 1.00 0.00 H new ATOM 618 N VAL A 42 -1.299 1.042 -4.072 1.00 0.00 N ATOM 619 CA VAL A 42 -0.832 1.398 -5.405 1.00 0.00 C ATOM 620 C VAL A 42 -0.920 0.197 -6.336 1.00 0.00 C ATOM 621 O VAL A 42 -0.349 -0.859 -6.057 1.00 0.00 O ATOM 622 CB VAL A 42 0.625 1.914 -5.380 1.00 0.00 C ATOM 623 CG1 VAL A 42 1.122 2.222 -6.790 1.00 0.00 C ATOM 624 CG2 VAL A 42 0.735 3.145 -4.498 1.00 0.00 C ATOM 0 H VAL A 42 -0.591 0.605 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.477 2.197 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 42 1.255 1.128 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.149 2.583 -6.743 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.083 1.316 -7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.489 2.987 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.767 3.496 -4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.087 3.930 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.430 2.893 -3.482 1.00 0.00 H new ATOM 634 N GLY A 43 -1.637 0.361 -7.438 1.00 0.00 N ATOM 635 CA GLY A 43 -1.796 -0.723 -8.384 1.00 0.00 C ATOM 636 C GLY A 43 -3.107 -1.449 -8.190 1.00 0.00 C ATOM 637 O GLY A 43 -3.243 -2.618 -8.556 1.00 0.00 O ATOM 0 H GLY A 43 -2.112 1.227 -7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.745 -0.330 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.971 -1.427 -8.273 1.00 0.00 H new ATOM 641 N ALA A 44 -4.079 -0.741 -7.625 1.00 0.00 N ATOM 642 CA ALA A 44 -5.388 -1.311 -7.338 1.00 0.00 C ATOM 643 C ALA A 44 -6.252 -1.364 -8.594 1.00 0.00 C ATOM 644 O ALA A 44 -7.374 -0.854 -8.622 1.00 0.00 O ATOM 645 CB ALA A 44 -6.073 -0.505 -6.249 1.00 0.00 C ATOM 0 H ALA A 44 -3.982 0.238 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.251 -2.334 -6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.052 -0.936 -6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.465 -0.525 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.194 0.526 -6.581 1.00 0.00 H new ATOM 651 N GLY A 45 -5.716 -1.982 -9.633 1.00 0.00 N ATOM 652 CA GLY A 45 -6.448 -2.122 -10.870 1.00 0.00 C ATOM 653 C GLY A 45 -7.180 -3.441 -10.943 1.00 0.00 C ATOM 654 O GLY A 45 -8.409 -3.479 -11.003 1.00 0.00 O ATOM 0 H GLY A 45 -4.782 -2.391 -9.640 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.163 -1.304 -10.964 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.759 -2.042 -11.711 1.00 0.00 H new ATOM 658 N ARG A 46 -6.425 -4.528 -10.973 1.00 0.00 N ATOM 659 CA ARG A 46 -7.011 -5.862 -10.943 1.00 0.00 C ATOM 660 C ARG A 46 -6.823 -6.491 -9.569 1.00 0.00 C ATOM 661 O ARG A 46 -7.375 -7.551 -9.275 1.00 0.00 O ATOM 662 CB ARG A 46 -6.391 -6.762 -12.017 1.00 0.00 C ATOM 663 CG ARG A 46 -7.200 -6.867 -13.309 1.00 0.00 C ATOM 664 CD ARG A 46 -7.008 -5.671 -14.234 1.00 0.00 C ATOM 665 NE ARG A 46 -7.673 -4.460 -13.750 1.00 0.00 N ATOM 666 CZ ARG A 46 -7.656 -3.292 -14.399 1.00 0.00 C ATOM 667 NH1 ARG A 46 -7.098 -3.199 -15.601 1.00 0.00 N ATOM 668 NH2 ARG A 46 -8.222 -2.221 -13.852 1.00 0.00 N ATOM 0 H ARG A 46 -5.406 -4.515 -11.018 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.077 -5.765 -11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.397 -6.386 -12.257 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.262 -7.762 -11.603 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.914 -7.777 -13.837 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.257 -6.961 -13.062 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.942 -5.473 -14.346 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.392 -5.919 -15.224 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.179 -4.511 -12.866 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.679 -4.022 -16.034 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.088 -2.304 -16.091 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.669 -2.291 -12.938 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.210 -1.329 -14.346 1.00 0.00 H new ATOM 682 N PHE A 47 -6.044 -5.826 -8.730 1.00 0.00 N ATOM 683 CA PHE A 47 -5.777 -6.309 -7.384 1.00 0.00 C ATOM 684 C PHE A 47 -6.531 -5.463 -6.369 1.00 0.00 C ATOM 685 O PHE A 47 -6.139 -4.335 -6.083 1.00 0.00 O ATOM 686 CB PHE A 47 -4.274 -6.271 -7.081 1.00 0.00 C ATOM 687 CG PHE A 47 -3.439 -7.087 -8.028 1.00 0.00 C ATOM 688 CD1 PHE A 47 -3.220 -8.434 -7.793 1.00 0.00 C ATOM 689 CD2 PHE A 47 -2.872 -6.504 -9.150 1.00 0.00 C ATOM 690 CE1 PHE A 47 -2.451 -9.186 -8.661 1.00 0.00 C ATOM 691 CE2 PHE A 47 -2.104 -7.251 -10.021 1.00 0.00 C ATOM 692 CZ PHE A 47 -1.893 -8.594 -9.777 1.00 0.00 C ATOM 0 H PHE A 47 -5.583 -4.945 -8.959 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.117 -7.342 -7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.934 -5.236 -7.112 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.109 -6.631 -6.065 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.655 -8.902 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.033 -5.454 -9.345 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.287 -10.236 -8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.668 -6.785 -10.893 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.293 -9.180 -10.457 1.00 0.00 H new ATOM 702 N LEU A 48 -7.634 -5.994 -5.861 1.00 0.00 N ATOM 703 CA LEU A 48 -8.446 -5.286 -4.880 1.00 0.00 C ATOM 704 C LEU A 48 -8.739 -6.170 -3.673 1.00 0.00 C ATOM 705 O LEU A 48 -9.237 -5.699 -2.657 1.00 0.00 O ATOM 706 CB LEU A 48 -9.769 -4.843 -5.512 1.00 0.00 C ATOM 707 CG LEU A 48 -9.649 -3.898 -6.708 1.00 0.00 C ATOM 708 CD1 LEU A 48 -11.013 -3.671 -7.339 1.00 0.00 C ATOM 709 CD2 LEU A 48 -9.038 -2.575 -6.282 1.00 0.00 C ATOM 0 H LEU A 48 -7.989 -6.917 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.885 -4.412 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.315 -5.732 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.371 -4.355 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.994 -4.358 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.913 -2.996 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.420 -4.624 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.685 -3.230 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.960 -1.915 -7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.670 -2.109 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.045 -2.749 -5.868 1.00 0.00 H new ATOM 721 N TYR A 49 -8.425 -7.456 -3.796 1.00 0.00 N ATOM 722 CA TYR A 49 -8.769 -8.442 -2.771 1.00 0.00 C ATOM 723 C TYR A 49 -8.158 -8.110 -1.407 1.00 0.00 C ATOM 724 O TYR A 49 -8.745 -8.427 -0.371 1.00 0.00 O ATOM 725 CB TYR A 49 -8.361 -9.855 -3.221 1.00 0.00 C ATOM 726 CG TYR A 49 -6.911 -9.995 -3.640 1.00 0.00 C ATOM 727 CD1 TYR A 49 -6.502 -9.650 -4.922 1.00 0.00 C ATOM 728 CD2 TYR A 49 -5.953 -10.480 -2.759 1.00 0.00 C ATOM 729 CE1 TYR A 49 -5.185 -9.782 -5.313 1.00 0.00 C ATOM 730 CE2 TYR A 49 -4.634 -10.616 -3.144 1.00 0.00 C ATOM 731 CZ TYR A 49 -4.255 -10.265 -4.420 1.00 0.00 C ATOM 732 OH TYR A 49 -2.942 -10.402 -4.802 1.00 0.00 O ATOM 0 H TYR A 49 -7.930 -7.844 -4.599 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.852 -8.408 -2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.558 -10.552 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.996 -10.153 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.228 -9.271 -5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.245 -10.755 -1.756 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.886 -9.508 -6.314 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.902 -10.996 -2.447 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.432 -10.819 -4.076 1.00 0.00 H new ATOM 742 N VAL A 50 -6.995 -7.470 -1.400 1.00 0.00 N ATOM 743 CA VAL A 50 -6.354 -7.092 -0.144 1.00 0.00 C ATOM 744 C VAL A 50 -7.049 -5.882 0.475 1.00 0.00 C ATOM 745 O VAL A 50 -7.548 -5.948 1.601 1.00 0.00 O ATOM 746 CB VAL A 50 -4.851 -6.784 -0.333 1.00 0.00 C ATOM 747 CG1 VAL A 50 -4.211 -6.372 0.984 1.00 0.00 C ATOM 748 CG2 VAL A 50 -4.128 -7.987 -0.915 1.00 0.00 C ATOM 0 H VAL A 50 -6.480 -7.204 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.445 -7.945 0.528 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.764 -5.952 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.154 -6.161 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.706 -5.479 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.314 -7.181 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.071 -7.751 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.232 -8.836 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.561 -8.239 -1.883 1.00 0.00 H new ATOM 758 N SER A 51 -7.097 -4.788 -0.275 1.00 0.00 N ATOM 759 CA SER A 51 -7.690 -3.551 0.205 1.00 0.00 C ATOM 760 C SER A 51 -9.164 -3.726 0.562 1.00 0.00 C ATOM 761 O SER A 51 -9.643 -3.174 1.557 1.00 0.00 O ATOM 762 CB SER A 51 -7.532 -2.464 -0.854 1.00 0.00 C ATOM 763 OG SER A 51 -7.946 -2.926 -2.128 1.00 0.00 O ATOM 0 H SER A 51 -6.729 -4.735 -1.225 1.00 0.00 H new ATOM 0 HA SER A 51 -7.167 -3.259 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.120 -1.590 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.490 -2.146 -0.900 1.00 0.00 H new ATOM 0 HG SER A 51 -7.160 -3.071 -2.695 1.00 0.00 H new ATOM 769 N ASP A 52 -9.876 -4.501 -0.246 1.00 0.00 N ATOM 770 CA ASP A 52 -11.302 -4.723 -0.038 1.00 0.00 C ATOM 771 C ASP A 52 -11.544 -5.471 1.265 1.00 0.00 C ATOM 772 O ASP A 52 -12.535 -5.237 1.949 1.00 0.00 O ATOM 773 CB ASP A 52 -11.899 -5.497 -1.213 1.00 0.00 C ATOM 774 CG ASP A 52 -13.414 -5.480 -1.215 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.997 -4.378 -1.293 1.00 0.00 O ATOM 776 OD2 ASP A 52 -14.029 -6.567 -1.172 1.00 0.00 O ATOM 0 H ASP A 52 -9.488 -4.988 -1.054 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.794 -3.752 0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.534 -5.070 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.551 -6.529 -1.177 1.00 0.00 H new ATOM 781 N TYR A 53 -10.619 -6.357 1.616 1.00 0.00 N ATOM 782 CA TYR A 53 -10.706 -7.099 2.866 1.00 0.00 C ATOM 783 C TYR A 53 -10.434 -6.179 4.056 1.00 0.00 C ATOM 784 O TYR A 53 -11.157 -6.209 5.055 1.00 0.00 O ATOM 785 CB TYR A 53 -9.710 -8.267 2.855 1.00 0.00 C ATOM 786 CG TYR A 53 -9.571 -8.980 4.185 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.467 -9.970 4.571 1.00 0.00 C ATOM 788 CD2 TYR A 53 -8.539 -8.654 5.057 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.338 -10.611 5.791 1.00 0.00 C ATOM 790 CE2 TYR A 53 -8.402 -9.291 6.272 1.00 0.00 C ATOM 791 CZ TYR A 53 -9.303 -10.268 6.636 1.00 0.00 C ATOM 792 OH TYR A 53 -9.168 -10.895 7.854 1.00 0.00 O ATOM 0 H TYR A 53 -9.799 -6.579 1.051 1.00 0.00 H new ATOM 0 HA TYR A 53 -11.715 -7.498 2.965 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.022 -8.989 2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.732 -7.893 2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.276 -10.243 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.831 -7.887 4.778 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.044 -11.376 6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.592 -9.025 6.935 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.386 -10.535 8.323 1.00 0.00 H new ATOM 802 N ILE A 54 -9.401 -5.354 3.931 1.00 0.00 N ATOM 803 CA ILE A 54 -8.976 -4.469 5.013 1.00 0.00 C ATOM 804 C ILE A 54 -10.104 -3.539 5.465 1.00 0.00 C ATOM 805 O ILE A 54 -10.368 -3.413 6.662 1.00 0.00 O ATOM 806 CB ILE A 54 -7.745 -3.633 4.592 1.00 0.00 C ATOM 807 CG1 ILE A 54 -6.564 -4.560 4.290 1.00 0.00 C ATOM 808 CG2 ILE A 54 -7.373 -2.627 5.675 1.00 0.00 C ATOM 809 CD1 ILE A 54 -5.331 -3.836 3.800 1.00 0.00 C ATOM 0 H ILE A 54 -8.837 -5.278 3.084 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.704 -5.106 5.855 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.997 -3.075 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.312 -5.118 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.869 -5.289 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.504 -2.052 5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.211 -1.952 5.848 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.137 -3.157 6.598 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.538 -4.558 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.565 -3.300 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.000 -3.127 4.559 1.00 0.00 H new ATOM 821 N ARG A 55 -10.793 -2.924 4.509 1.00 0.00 N ATOM 822 CA ARG A 55 -11.851 -1.959 4.826 1.00 0.00 C ATOM 823 C ARG A 55 -13.075 -2.630 5.458 1.00 0.00 C ATOM 824 O ARG A 55 -13.923 -1.961 6.047 1.00 0.00 O ATOM 825 CB ARG A 55 -12.268 -1.176 3.575 1.00 0.00 C ATOM 826 CG ARG A 55 -12.642 -2.052 2.388 1.00 0.00 C ATOM 827 CD ARG A 55 -13.126 -1.225 1.204 1.00 0.00 C ATOM 828 NE ARG A 55 -12.174 -0.173 0.836 1.00 0.00 N ATOM 829 CZ ARG A 55 -11.358 -0.231 -0.217 1.00 0.00 C ATOM 830 NH1 ARG A 55 -11.347 -1.304 -1.003 1.00 0.00 N ATOM 831 NH2 ARG A 55 -10.548 0.790 -0.486 1.00 0.00 N ATOM 0 H ARG A 55 -10.642 -3.073 3.511 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.438 -1.266 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.117 -0.539 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.450 -0.517 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.778 -2.645 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.422 -2.753 2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.289 -1.880 0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.088 -0.773 1.448 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.133 0.659 1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.966 -2.090 -0.802 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.720 -1.341 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.552 1.616 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.923 0.747 -1.291 1.00 0.00 H new ATOM 845 N LYS A 56 -13.167 -3.945 5.332 1.00 0.00 N ATOM 846 CA LYS A 56 -14.293 -4.687 5.890 1.00 0.00 C ATOM 847 C LYS A 56 -14.088 -4.977 7.370 1.00 0.00 C ATOM 848 O LYS A 56 -15.046 -5.020 8.143 1.00 0.00 O ATOM 849 CB LYS A 56 -14.488 -5.995 5.137 1.00 0.00 C ATOM 850 CG LYS A 56 -14.950 -5.803 3.706 1.00 0.00 C ATOM 851 CD LYS A 56 -15.162 -7.135 3.019 1.00 0.00 C ATOM 852 CE LYS A 56 -15.439 -6.958 1.536 1.00 0.00 C ATOM 853 NZ LYS A 56 -16.735 -6.274 1.280 1.00 0.00 N ATOM 0 H LYS A 56 -12.478 -4.522 4.850 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.183 -4.067 5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.549 -6.549 5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.218 -6.606 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.878 -5.232 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.210 -5.221 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.279 -7.760 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.996 -7.658 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.631 -6.382 1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.444 -7.934 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -16.887 -6.192 0.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.508 -6.827 1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.716 -5.325 1.705 1.00 0.00 H new ATOM 867 N HIS A 57 -12.835 -5.177 7.754 1.00 0.00 N ATOM 868 CA HIS A 57 -12.496 -5.511 9.122 1.00 0.00 C ATOM 869 C HIS A 57 -12.120 -4.248 9.901 1.00 0.00 C ATOM 870 O HIS A 57 -12.490 -4.087 11.064 1.00 0.00 O ATOM 871 CB HIS A 57 -11.354 -6.543 9.113 1.00 0.00 C ATOM 872 CG HIS A 57 -10.625 -6.684 10.410 1.00 0.00 C ATOM 873 ND1 HIS A 57 -10.878 -7.715 11.282 1.00 0.00 N ATOM 874 CD2 HIS A 57 -9.651 -5.902 10.913 1.00 0.00 C ATOM 875 CE1 HIS A 57 -10.050 -7.533 12.299 1.00 0.00 C ATOM 876 NE2 HIS A 57 -9.285 -6.445 12.119 1.00 0.00 N ATOM 0 H HIS A 57 -12.033 -5.112 7.128 1.00 0.00 H new ATOM 0 HA HIS A 57 -13.356 -5.951 9.626 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -11.763 -7.514 8.835 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.639 -6.265 8.339 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.237 -5.016 10.455 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.997 -8.178 13.164 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.571 -6.091 12.755 1.00 0.00 H new ATOM 884 N SER A 58 -11.396 -3.348 9.252 1.00 0.00 N ATOM 885 CA SER A 58 -10.979 -2.109 9.887 1.00 0.00 C ATOM 886 C SER A 58 -11.549 -0.905 9.163 1.00 0.00 C ATOM 887 O SER A 58 -11.469 -0.811 7.938 1.00 0.00 O ATOM 888 CB SER A 58 -9.453 -2.015 9.930 1.00 0.00 C ATOM 889 OG SER A 58 -8.874 -2.378 8.688 1.00 0.00 O ATOM 0 H SER A 58 -11.086 -3.454 8.286 1.00 0.00 H new ATOM 0 HA SER A 58 -11.364 -2.113 10.907 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.157 -0.998 10.187 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.069 -2.666 10.715 1.00 0.00 H new ATOM 0 HG SER A 58 -9.584 -2.578 8.042 1.00 0.00 H new ATOM 895 N LYS A 59 -12.122 0.018 9.924 1.00 0.00 N ATOM 896 CA LYS A 59 -12.629 1.255 9.358 1.00 0.00 C ATOM 897 C LYS A 59 -11.498 2.253 9.152 1.00 0.00 C ATOM 898 O LYS A 59 -11.465 3.327 9.754 1.00 0.00 O ATOM 899 CB LYS A 59 -13.734 1.851 10.236 1.00 0.00 C ATOM 900 CG LYS A 59 -15.060 1.117 10.113 1.00 0.00 C ATOM 901 CD LYS A 59 -15.546 1.099 8.670 1.00 0.00 C ATOM 902 CE LYS A 59 -15.795 2.508 8.143 1.00 0.00 C ATOM 903 NZ LYS A 59 -16.009 2.522 6.670 1.00 0.00 N ATOM 0 H LYS A 59 -12.246 -0.069 10.933 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.065 1.029 8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.411 1.832 11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -13.879 2.897 9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.948 0.095 10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -15.806 1.599 10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.807 0.601 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.465 0.517 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.667 2.932 8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.945 3.144 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.175 3.498 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.167 2.141 6.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.835 1.936 6.434 1.00 0.00 H new ATOM 917 N VAL A 60 -10.552 1.857 8.322 1.00 0.00 N ATOM 918 CA VAL A 60 -9.449 2.715 7.934 1.00 0.00 C ATOM 919 C VAL A 60 -9.752 3.355 6.575 1.00 0.00 C ATOM 920 O VAL A 60 -10.399 2.739 5.724 1.00 0.00 O ATOM 921 CB VAL A 60 -8.124 1.911 7.875 1.00 0.00 C ATOM 922 CG1 VAL A 60 -8.243 0.726 6.929 1.00 0.00 C ATOM 923 CG2 VAL A 60 -6.956 2.797 7.479 1.00 0.00 C ATOM 0 H VAL A 60 -10.527 0.930 7.897 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.331 3.501 8.680 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.930 1.528 8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.299 0.181 6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.037 0.064 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.478 1.083 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.043 2.203 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.143 3.228 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.842 3.598 8.210 1.00 0.00 H new ATOM 933 N ASP A 61 -9.324 4.597 6.388 1.00 0.00 N ATOM 934 CA ASP A 61 -9.509 5.289 5.115 1.00 0.00 C ATOM 935 C ASP A 61 -8.559 4.718 4.071 1.00 0.00 C ATOM 936 O ASP A 61 -7.427 5.178 3.936 1.00 0.00 O ATOM 937 CB ASP A 61 -9.259 6.794 5.272 1.00 0.00 C ATOM 938 CG ASP A 61 -10.426 7.542 5.885 1.00 0.00 C ATOM 939 OD1 ASP A 61 -10.955 7.097 6.929 1.00 0.00 O ATOM 940 OD2 ASP A 61 -10.804 8.600 5.335 1.00 0.00 O ATOM 0 H ASP A 61 -8.846 5.148 7.101 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.539 5.140 4.790 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.376 6.944 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.038 7.221 4.294 1.00 0.00 H new ATOM 945 N LEU A 62 -9.001 3.698 3.356 1.00 0.00 N ATOM 946 CA LEU A 62 -8.142 3.040 2.388 1.00 0.00 C ATOM 947 C LEU A 62 -8.392 3.598 0.991 1.00 0.00 C ATOM 948 O LEU A 62 -9.493 3.480 0.447 1.00 0.00 O ATOM 949 CB LEU A 62 -8.364 1.524 2.423 1.00 0.00 C ATOM 950 CG LEU A 62 -7.170 0.677 1.971 1.00 0.00 C ATOM 951 CD1 LEU A 62 -7.405 -0.780 2.318 1.00 0.00 C ATOM 952 CD2 LEU A 62 -6.920 0.830 0.475 1.00 0.00 C ATOM 0 H LEU A 62 -9.942 3.310 3.426 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.102 3.236 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.629 1.236 3.440 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.219 1.284 1.791 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.284 1.031 2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.551 -1.374 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.528 -0.882 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.305 -1.133 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.067 0.217 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.803 0.507 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.711 1.875 0.246 1.00 0.00 H new ATOM 964 N VAL A 63 -7.353 4.186 0.415 1.00 0.00 N ATOM 965 CA VAL A 63 -7.446 4.839 -0.876 1.00 0.00 C ATOM 966 C VAL A 63 -6.860 3.956 -1.970 1.00 0.00 C ATOM 967 O VAL A 63 -5.746 3.447 -1.843 1.00 0.00 O ATOM 968 CB VAL A 63 -6.704 6.193 -0.872 1.00 0.00 C ATOM 969 CG1 VAL A 63 -6.846 6.888 -2.216 1.00 0.00 C ATOM 970 CG2 VAL A 63 -7.217 7.083 0.252 1.00 0.00 C ATOM 0 H VAL A 63 -6.423 4.222 0.832 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.503 5.013 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.645 6.001 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.316 7.840 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.423 6.257 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.901 7.066 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.681 8.032 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.283 7.265 0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.055 6.589 1.210 1.00 0.00 H new ATOM 980 N LEU A 64 -7.627 3.761 -3.028 1.00 0.00 N ATOM 981 CA LEU A 64 -7.171 3.004 -4.185 1.00 0.00 C ATOM 982 C LEU A 64 -6.933 3.942 -5.360 1.00 0.00 C ATOM 983 O LEU A 64 -7.765 4.799 -5.637 1.00 0.00 O ATOM 984 CB LEU A 64 -8.226 1.963 -4.569 1.00 0.00 C ATOM 985 CG LEU A 64 -8.651 1.029 -3.439 1.00 0.00 C ATOM 986 CD1 LEU A 64 -9.718 0.063 -3.918 1.00 0.00 C ATOM 987 CD2 LEU A 64 -7.451 0.274 -2.906 1.00 0.00 C ATOM 0 H LEU A 64 -8.578 4.120 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.238 2.501 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.109 2.483 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.839 1.361 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.072 1.629 -2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.008 -0.594 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.589 0.623 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.325 -0.534 -4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.767 -0.389 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.006 -0.315 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.715 0.982 -2.526 1.00 0.00 H new ATOM 999 N THR A 65 -5.801 3.796 -6.035 1.00 0.00 N ATOM 1000 CA THR A 65 -5.522 4.592 -7.224 1.00 0.00 C ATOM 1001 C THR A 65 -5.342 3.693 -8.446 1.00 0.00 C ATOM 1002 O THR A 65 -4.623 2.689 -8.391 1.00 0.00 O ATOM 1003 CB THR A 65 -4.276 5.484 -7.036 1.00 0.00 C ATOM 1004 OG1 THR A 65 -3.208 4.734 -6.438 1.00 0.00 O ATOM 1005 CG2 THR A 65 -4.601 6.692 -6.167 1.00 0.00 C ATOM 0 H THR A 65 -5.064 3.138 -5.782 1.00 0.00 H new ATOM 0 HA THR A 65 -6.381 5.244 -7.385 1.00 0.00 H new ATOM 0 HB THR A 65 -3.962 5.833 -8.020 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.214 3.819 -6.790 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.708 7.306 -6.048 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.386 7.281 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.942 6.355 -5.188 1.00 0.00 H new ATOM 1013 N ASP A 66 -6.011 4.042 -9.538 1.00 0.00 N ATOM 1014 CA ASP A 66 -5.961 3.242 -10.756 1.00 0.00 C ATOM 1015 C ASP A 66 -6.308 4.096 -11.967 1.00 0.00 C ATOM 1016 O ASP A 66 -7.109 5.027 -11.868 1.00 0.00 O ATOM 1017 CB ASP A 66 -6.924 2.052 -10.650 1.00 0.00 C ATOM 1018 CG ASP A 66 -6.890 1.157 -11.873 1.00 0.00 C ATOM 1019 OD1 ASP A 66 -5.777 0.825 -12.338 1.00 0.00 O ATOM 1020 OD2 ASP A 66 -7.971 0.786 -12.376 1.00 0.00 O ATOM 0 H ASP A 66 -6.596 4.875 -9.605 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.947 2.861 -10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.671 1.464 -9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.939 2.423 -10.505 1.00 0.00 H new ATOM 1025 N ILE A 67 -5.695 3.790 -13.105 1.00 0.00 N ATOM 1026 CA ILE A 67 -5.961 4.532 -14.326 1.00 0.00 C ATOM 1027 C ILE A 67 -7.325 4.155 -14.880 1.00 0.00 C ATOM 1028 O ILE A 67 -7.494 3.080 -15.471 1.00 0.00 O ATOM 1029 CB ILE A 67 -4.893 4.289 -15.411 1.00 0.00 C ATOM 1030 CG1 ILE A 67 -3.498 4.621 -14.880 1.00 0.00 C ATOM 1031 CG2 ILE A 67 -5.199 5.130 -16.644 1.00 0.00 C ATOM 1032 CD1 ILE A 67 -2.413 4.513 -15.929 1.00 0.00 C ATOM 0 H ILE A 67 -5.014 3.037 -13.205 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.936 5.589 -14.063 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.914 3.234 -15.686 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.503 5.633 -14.476 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.263 3.950 -14.054 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.439 4.951 -17.404 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.178 4.856 -17.038 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.200 6.186 -16.373 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.450 4.762 -15.483 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.381 3.495 -16.316 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.625 5.205 -16.744 1.00 0.00 H new ATOM 1044 N LYS A 68 -8.285 5.053 -14.680 1.00 0.00 N ATOM 1045 CA LYS A 68 -9.667 4.834 -15.087 1.00 0.00 C ATOM 1046 C LYS A 68 -10.200 3.559 -14.441 1.00 0.00 C ATOM 1047 O LYS A 68 -10.233 2.498 -15.066 1.00 0.00 O ATOM 1048 CB LYS A 68 -9.797 4.764 -16.613 1.00 0.00 C ATOM 1049 CG LYS A 68 -9.091 5.902 -17.337 1.00 0.00 C ATOM 1050 CD LYS A 68 -9.602 6.061 -18.760 1.00 0.00 C ATOM 1051 CE LYS A 68 -11.053 6.521 -18.774 1.00 0.00 C ATOM 1052 NZ LYS A 68 -11.608 6.619 -20.150 1.00 0.00 N ATOM 0 H LYS A 68 -8.125 5.954 -14.230 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.263 5.681 -14.748 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.390 3.815 -16.961 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.854 4.774 -16.880 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.242 6.832 -16.789 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.018 5.713 -17.354 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.983 6.783 -19.293 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.513 5.112 -19.290 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.657 5.825 -18.191 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.127 7.493 -18.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.597 6.936 -20.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.051 7.303 -20.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.564 5.687 -20.609 1.00 0.00 H new ATOM 1066 N PRO A 69 -10.600 3.659 -13.163 1.00 0.00 N ATOM 1067 CA PRO A 69 -11.001 2.513 -12.339 1.00 0.00 C ATOM 1068 C PRO A 69 -12.019 1.600 -13.013 1.00 0.00 C ATOM 1069 O PRO A 69 -13.019 2.056 -13.573 1.00 0.00 O ATOM 1070 CB PRO A 69 -11.618 3.153 -11.087 1.00 0.00 C ATOM 1071 CG PRO A 69 -11.766 4.603 -11.405 1.00 0.00 C ATOM 1072 CD PRO A 69 -10.698 4.913 -12.409 1.00 0.00 C ATOM 0 HA PRO A 69 -10.145 1.869 -12.137 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -12.583 2.703 -10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.978 3.006 -10.217 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.756 4.815 -11.809 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.650 5.213 -10.509 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.973 5.751 -13.049 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.754 5.174 -11.930 1.00 0.00 H new ATOM 1122 N ILE A 74 -12.533 3.348 -6.415 1.00 0.00 N ATOM 1123 CA ILE A 74 -11.155 3.611 -6.792 1.00 0.00 C ATOM 1124 C ILE A 74 -11.011 5.046 -7.292 1.00 0.00 C ATOM 1125 O ILE A 74 -11.889 5.562 -7.988 1.00 0.00 O ATOM 1126 CB ILE A 74 -10.681 2.631 -7.886 1.00 0.00 C ATOM 1127 CG1 ILE A 74 -10.980 1.187 -7.474 1.00 0.00 C ATOM 1128 CG2 ILE A 74 -9.193 2.806 -8.153 1.00 0.00 C ATOM 1129 CD1 ILE A 74 -10.634 0.168 -8.537 1.00 0.00 C ATOM 0 HA ILE A 74 -10.533 3.470 -5.908 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.225 2.852 -8.804 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -10.424 0.955 -6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.039 1.100 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -8.878 2.106 -8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.000 3.826 -8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.634 2.611 -7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.873 -0.832 -8.174 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.210 0.374 -9.439 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.570 0.227 -8.765 1.00 0.00 H new ATOM 1141 N VAL A 75 -9.916 5.684 -6.918 1.00 0.00 N ATOM 1142 CA VAL A 75 -9.632 7.044 -7.339 1.00 0.00 C ATOM 1143 C VAL A 75 -9.081 7.048 -8.761 1.00 0.00 C ATOM 1144 O VAL A 75 -8.310 6.165 -9.139 1.00 0.00 O ATOM 1145 CB VAL A 75 -8.628 7.725 -6.377 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -8.320 9.152 -6.808 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -9.165 7.707 -4.953 1.00 0.00 C ATOM 0 H VAL A 75 -9.201 5.275 -6.316 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.563 7.610 -7.315 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.697 7.159 -6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.612 9.598 -6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.887 9.145 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.240 9.736 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.449 8.189 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.113 8.243 -4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.318 6.676 -4.635 1.00 0.00 H new ATOM 1157 N ARG A 76 -9.479 8.043 -9.541 1.00 0.00 N ATOM 1158 CA ARG A 76 -9.097 8.128 -10.950 1.00 0.00 C ATOM 1159 C ARG A 76 -7.711 8.748 -11.129 1.00 0.00 C ATOM 1160 O ARG A 76 -7.346 9.160 -12.232 1.00 0.00 O ATOM 1161 CB ARG A 76 -10.137 8.942 -11.722 1.00 0.00 C ATOM 1162 CG ARG A 76 -11.488 8.253 -11.839 1.00 0.00 C ATOM 1163 CD ARG A 76 -12.508 9.131 -12.546 1.00 0.00 C ATOM 1164 NE ARG A 76 -12.947 10.250 -11.714 1.00 0.00 N ATOM 1165 CZ ARG A 76 -13.690 11.265 -12.155 1.00 0.00 C ATOM 1166 NH1 ARG A 76 -14.003 11.356 -13.441 1.00 0.00 N ATOM 1167 NH2 ARG A 76 -14.101 12.195 -11.306 1.00 0.00 N ATOM 0 H ARG A 76 -10.071 8.810 -9.222 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.057 7.113 -11.345 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.271 9.905 -11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.756 9.147 -12.722 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.373 7.317 -12.385 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.854 7.999 -10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.075 9.515 -13.470 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.372 8.528 -12.826 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.667 10.254 -10.733 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.675 10.647 -14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.572 12.135 -13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.849 12.132 -10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.670 12.974 -11.639 1.00 0.00 H new ATOM 1181 N ASP A 77 -6.946 8.796 -10.051 1.00 0.00 N ATOM 1182 CA ASP A 77 -5.595 9.342 -10.088 1.00 0.00 C ATOM 1183 C ASP A 77 -4.614 8.245 -10.483 1.00 0.00 C ATOM 1184 O ASP A 77 -4.734 7.106 -10.024 1.00 0.00 O ATOM 1185 CB ASP A 77 -5.232 9.932 -8.723 1.00 0.00 C ATOM 1186 CG ASP A 77 -3.942 10.726 -8.746 1.00 0.00 C ATOM 1187 OD1 ASP A 77 -3.860 11.705 -9.520 1.00 0.00 O ATOM 1188 OD2 ASP A 77 -3.020 10.393 -7.976 1.00 0.00 O ATOM 0 H ASP A 77 -7.238 8.462 -9.133 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.543 10.140 -10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.043 10.577 -8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.142 9.124 -7.996 1.00 0.00 H new ATOM 1193 N ASP A 78 -3.661 8.575 -11.344 1.00 0.00 N ATOM 1194 CA ASP A 78 -2.762 7.566 -11.895 1.00 0.00 C ATOM 1195 C ASP A 78 -1.386 7.623 -11.225 1.00 0.00 C ATOM 1196 O ASP A 78 -1.137 8.473 -10.374 1.00 0.00 O ATOM 1197 CB ASP A 78 -2.652 7.717 -13.421 1.00 0.00 C ATOM 1198 CG ASP A 78 -1.640 8.743 -13.865 1.00 0.00 C ATOM 1199 OD1 ASP A 78 -0.466 8.372 -14.028 1.00 0.00 O ATOM 1200 OD2 ASP A 78 -2.020 9.903 -14.102 1.00 0.00 O ATOM 0 H ASP A 78 -3.490 9.525 -11.675 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.183 6.583 -11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -2.389 6.752 -13.853 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.629 7.989 -13.820 1.00 0.00 H new ATOM 1205 N ILE A 79 -0.489 6.718 -11.616 1.00 0.00 N ATOM 1206 CA ILE A 79 0.779 6.542 -10.907 1.00 0.00 C ATOM 1207 C ILE A 79 1.921 7.362 -11.527 1.00 0.00 C ATOM 1208 O ILE A 79 2.887 7.709 -10.841 1.00 0.00 O ATOM 1209 CB ILE A 79 1.177 5.045 -10.847 1.00 0.00 C ATOM 1210 CG1 ILE A 79 2.426 4.847 -9.982 1.00 0.00 C ATOM 1211 CG2 ILE A 79 1.407 4.486 -12.246 1.00 0.00 C ATOM 1212 CD1 ILE A 79 2.245 5.288 -8.544 1.00 0.00 C ATOM 0 H ILE A 79 -0.615 6.098 -12.416 1.00 0.00 H new ATOM 0 HA ILE A 79 0.620 6.914 -9.895 1.00 0.00 H new ATOM 0 HB ILE A 79 0.352 4.499 -10.391 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.705 3.793 -9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.254 5.403 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.685 3.434 -12.176 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.492 4.582 -12.831 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.209 5.042 -12.733 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.170 5.118 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.996 6.349 -8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.439 4.715 -8.086 1.00 0.00 H new ATOM 1224 N THR A 80 1.817 7.689 -12.807 1.00 0.00 N ATOM 1225 CA THR A 80 2.877 8.433 -13.470 1.00 0.00 C ATOM 1226 C THR A 80 2.592 9.934 -13.356 1.00 0.00 C ATOM 1227 O THR A 80 3.496 10.768 -13.467 1.00 0.00 O ATOM 1228 CB THR A 80 3.051 7.993 -14.952 1.00 0.00 C ATOM 1229 OG1 THR A 80 4.300 8.465 -15.478 1.00 0.00 O ATOM 1230 CG2 THR A 80 1.915 8.496 -15.830 1.00 0.00 C ATOM 0 H THR A 80 1.021 7.455 -13.400 1.00 0.00 H new ATOM 0 HA THR A 80 3.822 8.215 -12.973 1.00 0.00 H new ATOM 0 HB THR A 80 3.037 6.903 -14.962 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.392 8.177 -16.410 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.075 8.167 -16.857 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.969 8.097 -15.465 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.886 9.585 -15.799 1.00 0.00 H new ATOM 1238 N SER A 81 1.326 10.259 -13.101 1.00 0.00 N ATOM 1239 CA SER A 81 0.905 11.626 -12.810 1.00 0.00 C ATOM 1240 C SER A 81 0.061 11.656 -11.528 1.00 0.00 C ATOM 1241 O SER A 81 -1.113 12.028 -11.559 1.00 0.00 O ATOM 1242 CB SER A 81 0.088 12.174 -13.982 1.00 0.00 C ATOM 1243 OG SER A 81 0.818 12.105 -15.198 1.00 0.00 O ATOM 0 H SER A 81 0.564 9.581 -13.091 1.00 0.00 H new ATOM 0 HA SER A 81 1.789 12.247 -12.665 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.838 11.607 -14.079 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.191 13.208 -13.781 1.00 0.00 H new ATOM 0 HG SER A 81 0.270 12.460 -15.929 1.00 0.00 H new ATOM 1249 N PRO A 82 0.652 11.278 -10.378 1.00 0.00 N ATOM 1250 CA PRO A 82 -0.095 11.101 -9.137 1.00 0.00 C ATOM 1251 C PRO A 82 -0.272 12.391 -8.344 1.00 0.00 C ATOM 1252 O PRO A 82 0.564 13.299 -8.400 1.00 0.00 O ATOM 1253 CB PRO A 82 0.777 10.118 -8.366 1.00 0.00 C ATOM 1254 CG PRO A 82 2.173 10.430 -8.792 1.00 0.00 C ATOM 1255 CD PRO A 82 2.088 11.006 -10.186 1.00 0.00 C ATOM 0 HA PRO A 82 -1.114 10.762 -9.322 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.655 10.241 -7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.513 9.087 -8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.636 11.141 -8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.790 9.531 -8.782 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.681 11.916 -10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.463 10.304 -10.931 1.00 0.00 H new ATOM 1263 N ARG A 83 -1.369 12.460 -7.611 1.00 0.00 N ATOM 1264 CA ARG A 83 -1.636 13.574 -6.719 1.00 0.00 C ATOM 1265 C ARG A 83 -1.049 13.305 -5.346 1.00 0.00 C ATOM 1266 O ARG A 83 -1.520 12.427 -4.620 1.00 0.00 O ATOM 1267 CB ARG A 83 -3.135 13.811 -6.581 1.00 0.00 C ATOM 1268 CG ARG A 83 -3.783 14.414 -7.806 1.00 0.00 C ATOM 1269 CD ARG A 83 -5.275 14.576 -7.595 1.00 0.00 C ATOM 1270 NE ARG A 83 -5.950 15.102 -8.777 1.00 0.00 N ATOM 1271 CZ ARG A 83 -6.425 16.342 -8.866 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -6.214 17.212 -7.881 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -7.094 16.719 -9.945 1.00 0.00 N ATOM 0 H ARG A 83 -2.098 11.747 -7.617 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.171 14.462 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.622 12.862 -6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.310 14.469 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.333 15.383 -8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.600 13.778 -8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.709 13.611 -7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.450 15.245 -6.752 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.064 14.484 -9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.687 16.929 -7.055 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.579 18.162 -7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.245 16.059 -10.708 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.458 17.669 -10.013 1.00 0.00 H new ATOM 1287 N MET A 84 -0.038 14.073 -4.977 1.00 0.00 N ATOM 1288 CA MET A 84 0.611 13.893 -3.689 1.00 0.00 C ATOM 1289 C MET A 84 -0.339 14.230 -2.545 1.00 0.00 C ATOM 1290 O MET A 84 -0.174 13.734 -1.436 1.00 0.00 O ATOM 1291 CB MET A 84 1.882 14.741 -3.588 1.00 0.00 C ATOM 1292 CG MET A 84 2.994 14.292 -4.526 1.00 0.00 C ATOM 1293 SD MET A 84 3.479 12.571 -4.271 1.00 0.00 S ATOM 1294 CE MET A 84 3.998 12.598 -2.556 1.00 0.00 C ATOM 0 H MET A 84 0.350 14.824 -5.548 1.00 0.00 H new ATOM 0 HA MET A 84 0.891 12.843 -3.607 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.633 15.780 -3.805 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.249 14.709 -2.562 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.667 14.423 -5.557 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.863 14.934 -4.384 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.653 11.749 -2.361 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.534 13.525 -2.353 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.122 12.536 -1.910 1.00 0.00 H new ATOM 1304 N GLU A 85 -1.353 15.049 -2.822 1.00 0.00 N ATOM 1305 CA GLU A 85 -2.326 15.428 -1.796 1.00 0.00 C ATOM 1306 C GLU A 85 -3.174 14.228 -1.375 1.00 0.00 C ATOM 1307 O GLU A 85 -3.788 14.231 -0.307 1.00 0.00 O ATOM 1308 CB GLU A 85 -3.239 16.560 -2.287 1.00 0.00 C ATOM 1309 CG GLU A 85 -3.991 16.236 -3.568 1.00 0.00 C ATOM 1310 CD GLU A 85 -3.291 16.752 -4.803 1.00 0.00 C ATOM 1311 OE1 GLU A 85 -2.097 16.451 -4.985 1.00 0.00 O ATOM 1312 OE2 GLU A 85 -3.940 17.455 -5.605 1.00 0.00 O ATOM 0 H GLU A 85 -1.522 15.460 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.764 15.783 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.960 16.797 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.637 17.455 -2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.113 15.156 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.991 16.667 -3.516 1.00 0.00 H new ATOM 1319 N ILE A 86 -3.202 13.203 -2.218 1.00 0.00 N ATOM 1320 CA ILE A 86 -3.955 11.997 -1.920 1.00 0.00 C ATOM 1321 C ILE A 86 -3.133 11.063 -1.040 1.00 0.00 C ATOM 1322 O ILE A 86 -3.655 10.445 -0.113 1.00 0.00 O ATOM 1323 CB ILE A 86 -4.379 11.263 -3.210 1.00 0.00 C ATOM 1324 CG1 ILE A 86 -5.270 12.170 -4.062 1.00 0.00 C ATOM 1325 CG2 ILE A 86 -5.102 9.965 -2.876 1.00 0.00 C ATOM 1326 CD1 ILE A 86 -5.742 11.529 -5.350 1.00 0.00 C ATOM 0 H ILE A 86 -2.711 13.185 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.857 12.295 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.484 11.016 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.139 12.465 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.722 13.082 -4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.393 9.463 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.439 9.316 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.992 10.186 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -6.368 12.233 -5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.880 11.259 -5.959 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.319 10.633 -5.120 1.00 0.00 H new ATOM 1338 N TYR A 87 -1.841 10.981 -1.323 1.00 0.00 N ATOM 1339 CA TYR A 87 -0.953 10.100 -0.576 1.00 0.00 C ATOM 1340 C TYR A 87 -0.530 10.734 0.745 1.00 0.00 C ATOM 1341 O TYR A 87 -0.344 10.036 1.742 1.00 0.00 O ATOM 1342 CB TYR A 87 0.286 9.745 -1.405 1.00 0.00 C ATOM 1343 CG TYR A 87 -0.032 9.052 -2.712 1.00 0.00 C ATOM 1344 CD1 TYR A 87 -0.258 7.684 -2.757 1.00 0.00 C ATOM 1345 CD2 TYR A 87 -0.113 9.770 -3.898 1.00 0.00 C ATOM 1346 CE1 TYR A 87 -0.555 7.047 -3.948 1.00 0.00 C ATOM 1347 CE2 TYR A 87 -0.415 9.143 -5.094 1.00 0.00 C ATOM 1348 CZ TYR A 87 -0.636 7.780 -5.114 1.00 0.00 C ATOM 1349 OH TYR A 87 -0.937 7.145 -6.299 1.00 0.00 O ATOM 0 H TYR A 87 -1.384 11.513 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.505 9.186 -0.359 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.845 10.657 -1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.936 9.102 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.201 7.106 -1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.063 10.836 -3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.723 5.980 -3.965 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.478 9.717 -6.007 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.626 6.466 -6.141 1.00 0.00 H new ATOM 1359 N ARG A 88 -0.374 12.054 0.758 1.00 0.00 N ATOM 1360 CA ARG A 88 0.060 12.749 1.966 1.00 0.00 C ATOM 1361 C ARG A 88 -0.980 12.628 3.061 1.00 0.00 C ATOM 1362 O ARG A 88 -2.176 12.820 2.833 1.00 0.00 O ATOM 1363 CB ARG A 88 0.374 14.219 1.687 1.00 0.00 C ATOM 1364 CG ARG A 88 1.665 14.414 0.912 1.00 0.00 C ATOM 1365 CD ARG A 88 1.972 15.885 0.671 1.00 0.00 C ATOM 1366 NE ARG A 88 2.255 16.601 1.915 1.00 0.00 N ATOM 1367 CZ ARG A 88 3.475 16.973 2.306 1.00 0.00 C ATOM 1368 NH1 ARG A 88 4.537 16.703 1.554 1.00 0.00 N ATOM 1369 NH2 ARG A 88 3.629 17.627 3.448 1.00 0.00 N ATOM 0 H ARG A 88 -0.540 12.660 -0.046 1.00 0.00 H new ATOM 0 HA ARG A 88 0.979 12.270 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.450 14.661 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.440 14.756 2.633 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.489 13.957 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.594 13.897 -0.045 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.828 15.971 0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.126 16.354 0.168 1.00 0.00 H new ATOM 0 HE ARG A 88 1.469 16.831 2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.423 16.207 0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.466 16.991 1.861 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.816 17.844 4.025 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.560 17.913 3.750 1.00 0.00 H new ATOM 1383 N GLY A 89 -0.508 12.290 4.244 1.00 0.00 N ATOM 1384 CA GLY A 89 -1.389 12.070 5.369 1.00 0.00 C ATOM 1385 C GLY A 89 -1.592 10.594 5.639 1.00 0.00 C ATOM 1386 O GLY A 89 -2.000 10.207 6.735 1.00 0.00 O ATOM 0 H GLY A 89 0.483 12.162 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.974 12.549 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.353 12.541 5.174 1.00 0.00 H new ATOM 1390 N ALA A 90 -1.306 9.768 4.640 1.00 0.00 N ATOM 1391 CA ALA A 90 -1.463 8.327 4.770 1.00 0.00 C ATOM 1392 C ALA A 90 -0.397 7.751 5.687 1.00 0.00 C ATOM 1393 O ALA A 90 0.736 8.227 5.713 1.00 0.00 O ATOM 1394 CB ALA A 90 -1.405 7.653 3.409 1.00 0.00 C ATOM 0 H ALA A 90 -0.963 10.074 3.729 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.441 8.134 5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.525 6.576 3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.206 8.038 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.443 7.861 2.941 1.00 0.00 H new ATOM 1400 N ALA A 91 -0.764 6.730 6.441 1.00 0.00 N ATOM 1401 CA ALA A 91 0.161 6.106 7.370 1.00 0.00 C ATOM 1402 C ALA A 91 0.877 4.934 6.722 1.00 0.00 C ATOM 1403 O ALA A 91 1.960 4.535 7.156 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.572 5.641 8.618 1.00 0.00 C ATOM 0 H ALA A 91 -1.696 6.316 6.428 1.00 0.00 H new ATOM 0 HA ALA A 91 0.905 6.851 7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.136 5.176 9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.040 6.496 9.105 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.338 4.917 8.341 1.00 0.00 H new ATOM 1410 N LEU A 92 0.280 4.387 5.673 1.00 0.00 N ATOM 1411 CA LEU A 92 0.836 3.214 5.029 1.00 0.00 C ATOM 1412 C LEU A 92 0.477 3.185 3.547 1.00 0.00 C ATOM 1413 O LEU A 92 -0.644 3.519 3.163 1.00 0.00 O ATOM 1414 CB LEU A 92 0.332 1.953 5.741 1.00 0.00 C ATOM 1415 CG LEU A 92 1.222 0.724 5.592 1.00 0.00 C ATOM 1416 CD1 LEU A 92 1.032 -0.205 6.782 1.00 0.00 C ATOM 1417 CD2 LEU A 92 0.919 -0.016 4.299 1.00 0.00 C ATOM 0 H LEU A 92 -0.583 4.736 5.255 1.00 0.00 H new ATOM 0 HA LEU A 92 1.923 3.251 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.220 2.174 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.660 1.712 5.360 1.00 0.00 H new ATOM 0 HG LEU A 92 2.259 1.057 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.672 -1.080 6.666 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.298 0.320 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.010 -0.522 6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.568 -0.888 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.123 -0.337 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.094 0.646 3.451 1.00 0.00 H new ATOM 1429 N ILE A 93 1.449 2.812 2.727 1.00 0.00 N ATOM 1430 CA ILE A 93 1.251 2.670 1.293 1.00 0.00 C ATOM 1431 C ILE A 93 1.850 1.349 0.830 1.00 0.00 C ATOM 1432 O ILE A 93 3.027 1.082 1.062 1.00 0.00 O ATOM 1433 CB ILE A 93 1.905 3.830 0.505 1.00 0.00 C ATOM 1434 CG1 ILE A 93 1.284 5.171 0.906 1.00 0.00 C ATOM 1435 CG2 ILE A 93 1.757 3.606 -0.992 1.00 0.00 C ATOM 1436 CD1 ILE A 93 1.960 6.367 0.269 1.00 0.00 C ATOM 0 H ILE A 93 2.397 2.599 3.038 1.00 0.00 H new ATOM 0 HA ILE A 93 0.179 2.693 1.099 1.00 0.00 H new ATOM 0 HB ILE A 93 2.967 3.854 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.230 5.171 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.330 5.273 1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.222 4.431 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.243 2.671 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.699 3.555 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.467 7.282 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.009 6.393 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.891 6.289 -0.816 1.00 0.00 H new ATOM 1448 N TYR A 94 1.052 0.514 0.191 1.00 0.00 N ATOM 1449 CA TYR A 94 1.541 -0.773 -0.276 1.00 0.00 C ATOM 1450 C TYR A 94 1.182 -0.989 -1.737 1.00 0.00 C ATOM 1451 O TYR A 94 0.269 -0.350 -2.261 1.00 0.00 O ATOM 1452 CB TYR A 94 1.007 -1.921 0.595 1.00 0.00 C ATOM 1453 CG TYR A 94 -0.502 -2.034 0.654 1.00 0.00 C ATOM 1454 CD1 TYR A 94 -1.262 -1.095 1.337 1.00 0.00 C ATOM 1455 CD2 TYR A 94 -1.166 -3.093 0.041 1.00 0.00 C ATOM 1456 CE1 TYR A 94 -2.634 -1.203 1.407 1.00 0.00 C ATOM 1457 CE2 TYR A 94 -2.539 -3.206 0.112 1.00 0.00 C ATOM 1458 CZ TYR A 94 -3.266 -2.257 0.797 1.00 0.00 C ATOM 1459 OH TYR A 94 -4.633 -2.357 0.870 1.00 0.00 O ATOM 0 H TYR A 94 0.071 0.700 -0.016 1.00 0.00 H new ATOM 0 HA TYR A 94 2.628 -0.768 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.412 -2.860 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.386 -1.794 1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.770 -0.265 1.822 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.598 -3.837 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.210 -0.461 1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.041 -4.034 -0.367 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.929 -3.157 0.387 1.00 0.00 H new ATOM 1469 N SER A 95 1.912 -1.878 -2.391 1.00 0.00 N ATOM 1470 CA SER A 95 1.704 -2.143 -3.803 1.00 0.00 C ATOM 1471 C SER A 95 1.948 -3.616 -4.114 1.00 0.00 C ATOM 1472 O SER A 95 2.894 -4.226 -3.605 1.00 0.00 O ATOM 1473 CB SER A 95 2.624 -1.251 -4.643 1.00 0.00 C ATOM 1474 OG SER A 95 3.948 -1.273 -4.138 1.00 0.00 O ATOM 0 H SER A 95 2.656 -2.429 -1.964 1.00 0.00 H new ATOM 0 HA SER A 95 0.669 -1.913 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.620 -1.590 -5.679 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.247 -0.228 -4.641 1.00 0.00 H new ATOM 0 HG SER A 95 4.569 -0.979 -4.836 1.00 0.00 H new ATOM 1480 N ILE A 96 1.082 -4.184 -4.935 1.00 0.00 N ATOM 1481 CA ILE A 96 1.184 -5.585 -5.304 1.00 0.00 C ATOM 1482 C ILE A 96 1.723 -5.720 -6.724 1.00 0.00 C ATOM 1483 O ILE A 96 1.049 -5.351 -7.685 1.00 0.00 O ATOM 1484 CB ILE A 96 -0.185 -6.291 -5.199 1.00 0.00 C ATOM 1485 CG1 ILE A 96 -0.765 -6.106 -3.793 1.00 0.00 C ATOM 1486 CG2 ILE A 96 -0.045 -7.774 -5.526 1.00 0.00 C ATOM 1487 CD1 ILE A 96 -2.167 -6.650 -3.631 1.00 0.00 C ATOM 0 H ILE A 96 0.296 -3.693 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 96 1.873 -6.063 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.867 -5.843 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.110 -6.597 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.768 -5.044 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.019 -8.257 -5.447 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.336 -7.888 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 96 0.648 -8.238 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.507 -6.481 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.837 -6.142 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.169 -7.719 -3.842 1.00 0.00 H new ATOM 1499 N ARG A 97 2.947 -6.239 -6.834 1.00 0.00 N ATOM 1500 CA ARG A 97 3.611 -6.431 -8.125 1.00 0.00 C ATOM 1501 C ARG A 97 3.809 -5.094 -8.851 1.00 0.00 C ATOM 1502 O ARG A 97 3.078 -4.765 -9.786 1.00 0.00 O ATOM 1503 CB ARG A 97 2.816 -7.422 -8.995 1.00 0.00 C ATOM 1504 CG ARG A 97 3.389 -7.672 -10.388 1.00 0.00 C ATOM 1505 CD ARG A 97 4.764 -8.322 -10.347 1.00 0.00 C ATOM 1506 NE ARG A 97 5.850 -7.339 -10.357 1.00 0.00 N ATOM 1507 CZ ARG A 97 7.113 -7.637 -10.670 1.00 0.00 C ATOM 1508 NH1 ARG A 97 7.445 -8.874 -11.013 1.00 0.00 N ATOM 1509 NH2 ARG A 97 8.043 -6.691 -10.659 1.00 0.00 N ATOM 0 H ARG A 97 3.505 -6.537 -6.034 1.00 0.00 H new ATOM 0 HA ARG A 97 4.599 -6.853 -7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.755 -8.375 -8.469 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.797 -7.051 -9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.706 -8.310 -10.949 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.454 -6.726 -10.925 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.844 -8.938 -9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.873 -8.988 -11.203 1.00 0.00 H new ATOM 0 HE ARG A 97 5.629 -6.374 -10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.734 -9.604 -11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.412 -9.095 -11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.794 -5.734 -10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.007 -6.921 -10.899 1.00 0.00 H new ATOM 1523 N PRO A 98 4.788 -4.289 -8.409 1.00 0.00 N ATOM 1524 CA PRO A 98 5.127 -3.029 -9.058 1.00 0.00 C ATOM 1525 C PRO A 98 6.085 -3.240 -10.230 1.00 0.00 C ATOM 1526 O PRO A 98 6.862 -4.202 -10.237 1.00 0.00 O ATOM 1527 CB PRO A 98 5.813 -2.214 -7.945 1.00 0.00 C ATOM 1528 CG PRO A 98 5.893 -3.117 -6.749 1.00 0.00 C ATOM 1529 CD PRO A 98 5.633 -4.515 -7.234 1.00 0.00 C ATOM 0 HA PRO A 98 4.250 -2.534 -9.477 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.807 -1.891 -8.256 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.243 -1.314 -7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 98 6.874 -3.048 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 98 5.159 -2.827 -5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 98 6.556 -5.034 -7.492 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.128 -5.119 -6.480 1.00 0.00 H new ATOM 1537 N PRO A 99 6.024 -2.363 -11.248 1.00 0.00 N ATOM 1538 CA PRO A 99 6.948 -2.403 -12.383 1.00 0.00 C ATOM 1539 C PRO A 99 8.396 -2.247 -11.934 1.00 0.00 C ATOM 1540 O PRO A 99 8.669 -1.642 -10.899 1.00 0.00 O ATOM 1541 CB PRO A 99 6.534 -1.211 -13.248 1.00 0.00 C ATOM 1542 CG PRO A 99 5.154 -0.863 -12.813 1.00 0.00 C ATOM 1543 CD PRO A 99 5.043 -1.275 -11.372 1.00 0.00 C ATOM 0 HA PRO A 99 6.897 -3.355 -12.911 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.213 -0.370 -13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.558 -1.468 -14.307 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.970 0.205 -12.926 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.413 -1.381 -13.422 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.273 -0.449 -10.700 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.036 -1.613 -11.128 1.00 0.00 H new ATOM 1551 N ALA A 100 9.321 -2.756 -12.734 1.00 0.00 N ATOM 1552 CA ALA A 100 10.728 -2.783 -12.356 1.00 0.00 C ATOM 1553 C ALA A 100 11.405 -1.431 -12.562 1.00 0.00 C ATOM 1554 O ALA A 100 12.621 -1.309 -12.413 1.00 0.00 O ATOM 1555 CB ALA A 100 11.462 -3.863 -13.135 1.00 0.00 C ATOM 0 H ALA A 100 9.123 -3.157 -13.651 1.00 0.00 H new ATOM 0 HA ALA A 100 10.774 -3.011 -11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.512 -3.872 -12.843 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.017 -4.834 -12.919 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.384 -3.658 -14.203 1.00 0.00 H new ATOM 1561 N GLU A 101 10.622 -0.415 -12.898 1.00 0.00 N ATOM 1562 CA GLU A 101 11.167 0.917 -13.109 1.00 0.00 C ATOM 1563 C GLU A 101 10.712 1.894 -12.027 1.00 0.00 C ATOM 1564 O GLU A 101 11.281 2.979 -11.888 1.00 0.00 O ATOM 1565 CB GLU A 101 10.789 1.443 -14.497 1.00 0.00 C ATOM 1566 CG GLU A 101 9.292 1.507 -14.767 1.00 0.00 C ATOM 1567 CD GLU A 101 8.987 2.168 -16.097 1.00 0.00 C ATOM 1568 OE1 GLU A 101 8.834 3.407 -16.125 1.00 0.00 O ATOM 1569 OE2 GLU A 101 8.910 1.456 -17.123 1.00 0.00 O ATOM 0 H GLU A 101 9.613 -0.488 -13.029 1.00 0.00 H new ATOM 0 HA GLU A 101 12.252 0.837 -13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.209 2.441 -14.619 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.253 0.807 -15.251 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.878 0.499 -14.759 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.801 2.060 -13.966 1.00 0.00 H new ATOM 1576 N ILE A 102 9.703 1.515 -11.250 1.00 0.00 N ATOM 1577 CA ILE A 102 9.201 2.398 -10.205 1.00 0.00 C ATOM 1578 C ILE A 102 9.243 1.729 -8.834 1.00 0.00 C ATOM 1579 O ILE A 102 8.238 1.251 -8.316 1.00 0.00 O ATOM 1580 CB ILE A 102 7.776 2.934 -10.494 1.00 0.00 C ATOM 1581 CG1 ILE A 102 6.784 1.794 -10.750 1.00 0.00 C ATOM 1582 CG2 ILE A 102 7.801 3.895 -11.676 1.00 0.00 C ATOM 1583 CD1 ILE A 102 5.337 2.245 -10.753 1.00 0.00 C ATOM 0 H ILE A 102 9.224 0.618 -11.322 1.00 0.00 H new ATOM 0 HA ILE A 102 9.874 3.256 -10.199 1.00 0.00 H new ATOM 0 HB ILE A 102 7.438 3.472 -9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.014 1.330 -11.709 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.917 1.028 -9.986 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.793 4.263 -11.867 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.457 4.735 -11.448 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.171 3.375 -12.560 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.689 1.388 -10.940 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.090 2.682 -9.786 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.189 2.989 -11.536 1.00 0.00 H new ATOM 1595 N HIS A 103 10.433 1.679 -8.264 1.00 0.00 N ATOM 1596 CA HIS A 103 10.615 1.170 -6.914 1.00 0.00 C ATOM 1597 C HIS A 103 11.048 2.305 -6.003 1.00 0.00 C ATOM 1598 O HIS A 103 10.452 2.544 -4.952 1.00 0.00 O ATOM 1599 CB HIS A 103 11.653 0.046 -6.889 1.00 0.00 C ATOM 1600 CG HIS A 103 11.207 -1.195 -7.596 1.00 0.00 C ATOM 1601 ND1 HIS A 103 11.812 -1.620 -8.755 1.00 0.00 N ATOM 1602 CD2 HIS A 103 10.238 -2.077 -7.255 1.00 0.00 C ATOM 1603 CE1 HIS A 103 11.203 -2.743 -9.088 1.00 0.00 C ATOM 1604 NE2 HIS A 103 10.240 -3.060 -8.210 1.00 0.00 N ATOM 0 H HIS A 103 11.294 1.986 -8.717 1.00 0.00 H new ATOM 0 HA HIS A 103 9.668 0.760 -6.562 1.00 0.00 H new ATOM 0 HB2 HIS A 103 12.575 0.404 -7.347 1.00 0.00 H new ATOM 0 HB3 HIS A 103 11.886 -0.200 -5.853 1.00 0.00 H new ATOM 0 HD2 HIS A 103 9.588 -2.017 -6.395 1.00 0.00 H new ATOM 0 HE1 HIS A 103 11.449 -3.333 -9.959 1.00 0.00 H new ATOM 0 HE2 HIS A 103 9.628 -3.875 -8.246 1.00 0.00 H new ATOM 1612 N SER A 104 12.065 3.032 -6.437 1.00 0.00 N ATOM 1613 CA SER A 104 12.534 4.194 -5.709 1.00 0.00 C ATOM 1614 C SER A 104 11.547 5.340 -5.917 1.00 0.00 C ATOM 1615 O SER A 104 11.435 6.247 -5.090 1.00 0.00 O ATOM 1616 CB SER A 104 13.936 4.585 -6.187 1.00 0.00 C ATOM 1617 OG SER A 104 14.507 5.586 -5.361 1.00 0.00 O ATOM 0 H SER A 104 12.582 2.835 -7.294 1.00 0.00 H new ATOM 0 HA SER A 104 12.596 3.966 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 104 14.579 3.705 -6.191 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.884 4.946 -7.214 1.00 0.00 H new ATOM 0 HG SER A 104 15.401 5.812 -5.692 1.00 0.00 H new ATOM 1623 N SER A 105 10.808 5.264 -7.017 1.00 0.00 N ATOM 1624 CA SER A 105 9.783 6.247 -7.326 1.00 0.00 C ATOM 1625 C SER A 105 8.638 6.130 -6.325 1.00 0.00 C ATOM 1626 O SER A 105 8.083 7.127 -5.877 1.00 0.00 O ATOM 1627 CB SER A 105 9.274 6.020 -8.747 1.00 0.00 C ATOM 1628 OG SER A 105 10.354 5.752 -9.626 1.00 0.00 O ATOM 0 H SER A 105 10.903 4.525 -7.713 1.00 0.00 H new ATOM 0 HA SER A 105 10.204 7.250 -7.257 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.572 5.186 -8.759 1.00 0.00 H new ATOM 0 HB3 SER A 105 8.729 6.900 -9.089 1.00 0.00 H new ATOM 0 HG SER A 105 10.074 5.921 -10.550 1.00 0.00 H new ATOM 1634 N LEU A 106 8.308 4.897 -5.965 1.00 0.00 N ATOM 1635 CA LEU A 106 7.299 4.643 -4.951 1.00 0.00 C ATOM 1636 C LEU A 106 7.846 4.982 -3.571 1.00 0.00 C ATOM 1637 O LEU A 106 7.143 5.538 -2.726 1.00 0.00 O ATOM 1638 CB LEU A 106 6.862 3.180 -5.001 1.00 0.00 C ATOM 1639 CG LEU A 106 6.051 2.782 -6.234 1.00 0.00 C ATOM 1640 CD1 LEU A 106 5.684 1.308 -6.174 1.00 0.00 C ATOM 1641 CD2 LEU A 106 4.799 3.638 -6.345 1.00 0.00 C ATOM 0 H LEU A 106 8.727 4.056 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 106 6.433 5.275 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.751 2.551 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.270 2.964 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 106 6.663 2.950 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.107 1.040 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.593 0.708 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.088 1.117 -5.281 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.233 3.342 -7.228 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.184 3.499 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.082 4.687 -6.430 1.00 0.00 H new ATOM 1653 N MET A 107 9.115 4.658 -3.360 1.00 0.00 N ATOM 1654 CA MET A 107 9.773 4.917 -2.089 1.00 0.00 C ATOM 1655 C MET A 107 9.817 6.412 -1.787 1.00 0.00 C ATOM 1656 O MET A 107 9.604 6.822 -0.648 1.00 0.00 O ATOM 1657 CB MET A 107 11.187 4.333 -2.094 1.00 0.00 C ATOM 1658 CG MET A 107 11.924 4.508 -0.775 1.00 0.00 C ATOM 1659 SD MET A 107 13.511 3.651 -0.751 1.00 0.00 S ATOM 1660 CE MET A 107 12.973 1.956 -0.971 1.00 0.00 C ATOM 0 H MET A 107 9.711 4.213 -4.058 1.00 0.00 H new ATOM 0 HA MET A 107 9.194 4.431 -1.304 1.00 0.00 H new ATOM 0 HB2 MET A 107 11.131 3.271 -2.331 1.00 0.00 H new ATOM 0 HB3 MET A 107 11.764 4.807 -2.888 1.00 0.00 H new ATOM 0 HG2 MET A 107 12.086 5.570 -0.591 1.00 0.00 H new ATOM 0 HG3 MET A 107 11.301 4.135 0.038 1.00 0.00 H new ATOM 0 HE1 MET A 107 13.364 1.342 -0.159 1.00 0.00 H new ATOM 0 HE2 MET A 107 11.884 1.916 -0.964 1.00 0.00 H new ATOM 0 HE3 MET A 107 13.344 1.577 -1.923 1.00 0.00 H new ATOM 1670 N ARG A 108 10.071 7.228 -2.807 1.00 0.00 N ATOM 1671 CA ARG A 108 10.138 8.676 -2.619 1.00 0.00 C ATOM 1672 C ARG A 108 8.758 9.245 -2.291 1.00 0.00 C ATOM 1673 O ARG A 108 8.647 10.291 -1.657 1.00 0.00 O ATOM 1674 CB ARG A 108 10.724 9.373 -3.852 1.00 0.00 C ATOM 1675 CG ARG A 108 9.773 9.457 -5.031 1.00 0.00 C ATOM 1676 CD ARG A 108 10.377 10.235 -6.183 1.00 0.00 C ATOM 1677 NE ARG A 108 11.484 9.521 -6.820 1.00 0.00 N ATOM 1678 CZ ARG A 108 11.543 9.254 -8.126 1.00 0.00 C ATOM 1679 NH1 ARG A 108 10.576 9.665 -8.939 1.00 0.00 N ATOM 1680 NH2 ARG A 108 12.579 8.594 -8.621 1.00 0.00 N ATOM 0 H ARG A 108 10.233 6.916 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 108 10.802 8.868 -1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.030 10.382 -3.574 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.623 8.841 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 108 9.518 8.451 -5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 108 8.845 9.934 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 108 9.605 10.438 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 108 10.732 11.200 -5.820 1.00 0.00 H new ATOM 0 HE ARG A 108 12.256 9.209 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 108 9.783 10.187 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.626 9.458 -9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 108 13.332 8.290 -8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 108 12.624 8.390 -9.619 1.00 0.00 H new ATOM 1694 N VAL A 109 7.708 8.550 -2.719 1.00 0.00 N ATOM 1695 CA VAL A 109 6.347 8.949 -2.384 1.00 0.00 C ATOM 1696 C VAL A 109 6.069 8.659 -0.914 1.00 0.00 C ATOM 1697 O VAL A 109 5.577 9.518 -0.184 1.00 0.00 O ATOM 1698 CB VAL A 109 5.295 8.232 -3.261 1.00 0.00 C ATOM 1699 CG1 VAL A 109 3.887 8.647 -2.863 1.00 0.00 C ATOM 1700 CG2 VAL A 109 5.536 8.526 -4.732 1.00 0.00 C ATOM 0 H VAL A 109 7.774 7.711 -3.296 1.00 0.00 H new ATOM 0 HA VAL A 109 6.265 10.019 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 109 5.395 7.159 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.163 8.130 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.712 8.385 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.775 9.724 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 109 4.786 8.013 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 109 5.467 9.600 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.529 8.176 -5.015 1.00 0.00 H new ATOM 1710 N ALA A 110 6.410 7.447 -0.483 1.00 0.00 N ATOM 1711 CA ALA A 110 6.275 7.067 0.919 1.00 0.00 C ATOM 1712 C ALA A 110 7.113 7.987 1.795 1.00 0.00 C ATOM 1713 O ALA A 110 6.675 8.419 2.858 1.00 0.00 O ATOM 1714 CB ALA A 110 6.698 5.620 1.123 1.00 0.00 C ATOM 0 H ALA A 110 6.782 6.712 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 110 5.228 7.165 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.591 5.354 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.068 4.968 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.739 5.499 0.823 1.00 0.00 H new ATOM 1720 N ASP A 111 8.314 8.285 1.321 1.00 0.00 N ATOM 1721 CA ASP A 111 9.238 9.183 2.009 1.00 0.00 C ATOM 1722 C ASP A 111 8.650 10.587 2.137 1.00 0.00 C ATOM 1723 O ASP A 111 8.817 11.255 3.158 1.00 0.00 O ATOM 1724 CB ASP A 111 10.554 9.236 1.230 1.00 0.00 C ATOM 1725 CG ASP A 111 11.582 10.156 1.852 1.00 0.00 C ATOM 1726 OD1 ASP A 111 12.352 9.699 2.721 1.00 0.00 O ATOM 1727 OD2 ASP A 111 11.639 11.341 1.463 1.00 0.00 O ATOM 0 H ASP A 111 8.679 7.911 0.445 1.00 0.00 H new ATOM 0 HA ASP A 111 9.415 8.803 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.970 8.230 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.352 9.565 0.211 1.00 0.00 H new ATOM 1732 N ALA A 112 7.956 11.015 1.092 1.00 0.00 N ATOM 1733 CA ALA A 112 7.360 12.345 1.043 1.00 0.00 C ATOM 1734 C ALA A 112 6.146 12.460 1.959 1.00 0.00 C ATOM 1735 O ALA A 112 5.952 13.477 2.622 1.00 0.00 O ATOM 1736 CB ALA A 112 6.967 12.686 -0.385 1.00 0.00 C ATOM 0 H ALA A 112 7.790 10.454 0.257 1.00 0.00 H new ATOM 0 HA ALA A 112 8.108 13.054 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.523 13.681 -0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.852 12.666 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.244 11.956 -0.748 1.00 0.00 H new ATOM 1742 N VAL A 113 5.327 11.419 1.991 1.00 0.00 N ATOM 1743 CA VAL A 113 4.075 11.467 2.735 1.00 0.00 C ATOM 1744 C VAL A 113 4.250 10.974 4.168 1.00 0.00 C ATOM 1745 O VAL A 113 3.485 11.341 5.061 1.00 0.00 O ATOM 1746 CB VAL A 113 2.977 10.647 2.027 1.00 0.00 C ATOM 1747 CG1 VAL A 113 2.841 11.095 0.585 1.00 0.00 C ATOM 1748 CG2 VAL A 113 3.262 9.156 2.091 1.00 0.00 C ATOM 0 H VAL A 113 5.504 10.535 1.514 1.00 0.00 H new ATOM 0 HA VAL A 113 3.767 12.512 2.771 1.00 0.00 H new ATOM 0 HB VAL A 113 2.037 10.826 2.549 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.063 10.510 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.573 12.151 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.788 10.946 0.067 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.467 8.611 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.215 8.946 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.309 8.839 3.133 1.00 0.00 H new ATOM 1758 N GLY A 114 5.262 10.148 4.378 1.00 0.00 N ATOM 1759 CA GLY A 114 5.542 9.632 5.703 1.00 0.00 C ATOM 1760 C GLY A 114 4.789 8.351 5.995 1.00 0.00 C ATOM 1761 O GLY A 114 4.277 8.162 7.099 1.00 0.00 O ATOM 0 H GLY A 114 5.899 9.823 3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.612 9.451 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.276 10.384 6.446 1.00 0.00 H new ATOM 1765 N ALA A 115 4.737 7.459 5.016 1.00 0.00 N ATOM 1766 CA ALA A 115 3.989 6.217 5.162 1.00 0.00 C ATOM 1767 C ALA A 115 4.893 5.007 5.025 1.00 0.00 C ATOM 1768 O ALA A 115 5.961 5.077 4.418 1.00 0.00 O ATOM 1769 CB ALA A 115 2.871 6.142 4.136 1.00 0.00 C ATOM 0 H ALA A 115 5.202 7.571 4.115 1.00 0.00 H new ATOM 0 HA ALA A 115 3.557 6.211 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 115 2.324 5.207 4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 115 2.191 6.982 4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 115 3.295 6.183 3.133 1.00 0.00 H new ATOM 1775 N ARG A 116 4.459 3.897 5.597 1.00 0.00 N ATOM 1776 CA ARG A 116 5.190 2.650 5.485 1.00 0.00 C ATOM 1777 C ARG A 116 4.905 2.009 4.134 1.00 0.00 C ATOM 1778 O ARG A 116 3.754 1.740 3.802 1.00 0.00 O ATOM 1779 CB ARG A 116 4.799 1.700 6.615 1.00 0.00 C ATOM 1780 CG ARG A 116 5.644 0.437 6.670 1.00 0.00 C ATOM 1781 CD ARG A 116 5.247 -0.445 7.839 1.00 0.00 C ATOM 1782 NE ARG A 116 5.325 0.266 9.113 1.00 0.00 N ATOM 1783 CZ ARG A 116 5.470 -0.335 10.291 1.00 0.00 C ATOM 1784 NH1 ARG A 116 5.671 -1.646 10.355 1.00 0.00 N ATOM 1785 NH2 ARG A 116 5.459 0.385 11.404 1.00 0.00 N ATOM 0 H ARG A 116 3.601 3.836 6.145 1.00 0.00 H new ATOM 0 HA ARG A 116 6.257 2.856 5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 116 4.885 2.226 7.566 1.00 0.00 H new ATOM 0 HB3 ARG A 116 3.752 1.421 6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 116 5.532 -0.118 5.739 1.00 0.00 H new ATOM 0 HG3 ARG A 116 6.697 0.705 6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 116 4.231 -0.810 7.689 1.00 0.00 H new ATOM 0 HD3 ARG A 116 5.898 -1.319 7.871 1.00 0.00 H new ATOM 0 HE ARG A 116 5.265 1.284 9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 116 5.715 -2.198 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 116 5.782 -2.101 11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 116 5.340 1.397 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 116 5.570 -0.073 12.309 1.00 0.00 H new ATOM 1799 N LEU A 117 5.952 1.788 3.358 1.00 0.00 N ATOM 1800 CA LEU A 117 5.818 1.209 2.029 1.00 0.00 C ATOM 1801 C LEU A 117 5.972 -0.306 2.092 1.00 0.00 C ATOM 1802 O LEU A 117 7.011 -0.807 2.505 1.00 0.00 O ATOM 1803 CB LEU A 117 6.871 1.803 1.087 1.00 0.00 C ATOM 1804 CG LEU A 117 6.878 1.236 -0.337 1.00 0.00 C ATOM 1805 CD1 LEU A 117 5.617 1.643 -1.086 1.00 0.00 C ATOM 1806 CD2 LEU A 117 8.120 1.696 -1.084 1.00 0.00 C ATOM 0 H LEU A 117 6.912 2.002 3.627 1.00 0.00 H new ATOM 0 HA LEU A 117 4.825 1.444 1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.715 2.880 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.856 1.646 1.527 1.00 0.00 H new ATOM 0 HG LEU A 117 6.897 0.148 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.643 1.230 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.742 1.261 -0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 117 5.561 2.730 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.110 1.285 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.131 2.785 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.010 1.348 -0.559 1.00 0.00 H new ATOM 1818 N ILE A 118 4.936 -1.027 1.699 1.00 0.00 N ATOM 1819 CA ILE A 118 4.994 -2.483 1.681 1.00 0.00 C ATOM 1820 C ILE A 118 4.927 -3.001 0.247 1.00 0.00 C ATOM 1821 O ILE A 118 3.976 -2.721 -0.486 1.00 0.00 O ATOM 1822 CB ILE A 118 3.858 -3.116 2.520 1.00 0.00 C ATOM 1823 CG1 ILE A 118 3.936 -2.631 3.972 1.00 0.00 C ATOM 1824 CG2 ILE A 118 3.936 -4.638 2.461 1.00 0.00 C ATOM 1825 CD1 ILE A 118 2.839 -3.182 4.861 1.00 0.00 C ATOM 0 H ILE A 118 4.048 -0.633 1.389 1.00 0.00 H new ATOM 0 HA ILE A 118 5.944 -2.774 2.129 1.00 0.00 H new ATOM 0 HB ILE A 118 2.901 -2.804 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.903 -2.913 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.888 -1.542 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 118 3.130 -5.067 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.838 -4.968 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.896 -4.969 2.858 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.961 -2.794 5.872 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.868 -2.879 4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.898 -4.270 4.880 1.00 0.00 H new ATOM 1837 N ILE A 119 5.949 -3.745 -0.148 1.00 0.00 N ATOM 1838 CA ILE A 119 6.023 -4.303 -1.488 1.00 0.00 C ATOM 1839 C ILE A 119 6.100 -5.823 -1.426 1.00 0.00 C ATOM 1840 O ILE A 119 6.847 -6.387 -0.622 1.00 0.00 O ATOM 1841 CB ILE A 119 7.248 -3.762 -2.263 1.00 0.00 C ATOM 1842 CG1 ILE A 119 7.125 -2.251 -2.475 1.00 0.00 C ATOM 1843 CG2 ILE A 119 7.406 -4.476 -3.600 1.00 0.00 C ATOM 1844 CD1 ILE A 119 8.271 -1.659 -3.266 1.00 0.00 C ATOM 0 H ILE A 119 6.744 -3.977 0.447 1.00 0.00 H new ATOM 0 HA ILE A 119 5.118 -4.001 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 119 8.139 -3.958 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.189 -2.039 -2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.071 -1.759 -1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.274 -4.077 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.544 -5.543 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.513 -4.319 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.119 -0.585 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.208 -1.840 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.312 -2.125 -4.251 1.00 0.00 H new ATOM 1856 N LYS A 120 5.310 -6.480 -2.260 1.00 0.00 N ATOM 1857 CA LYS A 120 5.358 -7.926 -2.370 1.00 0.00 C ATOM 1858 C LYS A 120 5.952 -8.342 -3.717 1.00 0.00 C ATOM 1859 O LYS A 120 5.268 -8.322 -4.743 1.00 0.00 O ATOM 1860 CB LYS A 120 3.961 -8.532 -2.180 1.00 0.00 C ATOM 1861 CG LYS A 120 3.912 -10.038 -2.400 1.00 0.00 C ATOM 1862 CD LYS A 120 4.966 -10.762 -1.577 1.00 0.00 C ATOM 1863 CE LYS A 120 5.004 -12.243 -1.909 1.00 0.00 C ATOM 1864 NZ LYS A 120 6.195 -12.907 -1.322 1.00 0.00 N ATOM 0 H LYS A 120 4.627 -6.032 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 120 6.003 -8.309 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 120 3.612 -8.310 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 120 3.269 -8.050 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 120 2.923 -10.412 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 120 4.063 -10.256 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 120 5.944 -10.320 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 120 4.755 -10.630 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 120 4.099 -12.723 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 120 5.011 -12.373 -2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 5.960 -13.891 -1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.973 -12.897 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.487 -12.399 -0.463 1.00 0.00 H new ATOM 1878 N PRO A 121 7.253 -8.672 -3.732 1.00 0.00 N ATOM 1879 CA PRO A 121 7.923 -9.208 -4.908 1.00 0.00 C ATOM 1880 C PRO A 121 7.889 -10.738 -4.940 1.00 0.00 C ATOM 1881 O PRO A 121 7.430 -11.380 -3.990 1.00 0.00 O ATOM 1882 CB PRO A 121 9.351 -8.707 -4.721 1.00 0.00 C ATOM 1883 CG PRO A 121 9.554 -8.698 -3.240 1.00 0.00 C ATOM 1884 CD PRO A 121 8.193 -8.514 -2.607 1.00 0.00 C ATOM 0 HA PRO A 121 7.456 -8.897 -5.843 1.00 0.00 H new ATOM 0 HB2 PRO A 121 10.069 -9.361 -5.216 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.481 -7.712 -5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 121 10.011 -9.630 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 121 10.227 -7.892 -2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 121 8.012 -9.255 -1.828 1.00 0.00 H new ATOM 0 HD3 PRO A 121 8.098 -7.533 -2.142 1.00 0.00 H new ATOM 1892 N LEU A 122 8.377 -11.315 -6.028 1.00 0.00 N ATOM 1893 CA LEU A 122 8.422 -12.762 -6.172 1.00 0.00 C ATOM 1894 C LEU A 122 9.813 -13.287 -5.842 1.00 0.00 C ATOM 1895 O LEU A 122 10.778 -12.526 -5.806 1.00 0.00 O ATOM 1896 CB LEU A 122 8.031 -13.188 -7.594 1.00 0.00 C ATOM 1897 CG LEU A 122 6.548 -13.029 -7.967 1.00 0.00 C ATOM 1898 CD1 LEU A 122 5.652 -13.664 -6.912 1.00 0.00 C ATOM 1899 CD2 LEU A 122 6.182 -11.567 -8.173 1.00 0.00 C ATOM 0 H LEU A 122 8.749 -10.801 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 122 7.703 -13.189 -5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 122 8.626 -12.609 -8.301 1.00 0.00 H new ATOM 0 HB3 LEU A 122 8.307 -14.234 -7.726 1.00 0.00 H new ATOM 0 HG LEU A 122 6.388 -13.549 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.608 -13.539 -7.198 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.881 -14.727 -6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 122 5.825 -13.182 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 122 5.127 -11.490 -8.436 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.369 -11.012 -7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 122 6.788 -11.150 -8.978 1.00 0.00 H new ATOM 1911 N THR A 123 9.910 -14.592 -5.609 1.00 0.00 N ATOM 1912 CA THR A 123 11.179 -15.224 -5.264 1.00 0.00 C ATOM 1913 C THR A 123 12.181 -15.139 -6.423 1.00 0.00 C ATOM 1914 O THR A 123 13.389 -15.229 -6.217 1.00 0.00 O ATOM 1915 CB THR A 123 10.970 -16.700 -4.852 1.00 0.00 C ATOM 1916 OG1 THR A 123 12.192 -17.270 -4.359 1.00 0.00 O ATOM 1917 CG2 THR A 123 10.458 -17.526 -6.018 1.00 0.00 C ATOM 0 H THR A 123 9.120 -15.236 -5.653 1.00 0.00 H new ATOM 0 HA THR A 123 11.591 -14.679 -4.415 1.00 0.00 H new ATOM 0 HB THR A 123 10.224 -16.715 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 123 12.038 -18.203 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 123 10.320 -18.559 -5.699 1.00 0.00 H new ATOM 0 HG22 THR A 123 9.505 -17.122 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 123 11.180 -17.491 -6.834 1.00 0.00 H new ATOM 1925 N GLY A 124 11.670 -14.953 -7.635 1.00 0.00 N ATOM 1926 CA GLY A 124 12.531 -14.856 -8.797 1.00 0.00 C ATOM 1927 C GLY A 124 12.679 -13.431 -9.285 1.00 0.00 C ATOM 1928 O GLY A 124 13.087 -13.195 -10.420 1.00 0.00 O ATOM 0 H GLY A 124 10.673 -14.868 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 124 13.514 -15.258 -8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 124 12.125 -15.472 -9.599 1.00 0.00 H new ATOM 1932 N GLU A 125 12.347 -12.482 -8.422 1.00 0.00 N ATOM 1933 CA GLU A 125 12.408 -11.075 -8.764 1.00 0.00 C ATOM 1934 C GLU A 125 13.377 -10.348 -7.842 1.00 0.00 C ATOM 1935 O GLU A 125 14.069 -10.964 -7.029 1.00 0.00 O ATOM 1936 CB GLU A 125 11.018 -10.444 -8.650 1.00 0.00 C ATOM 1937 CG GLU A 125 10.038 -10.905 -9.716 1.00 0.00 C ATOM 1938 CD GLU A 125 10.382 -10.364 -11.088 1.00 0.00 C ATOM 1939 OE1 GLU A 125 10.030 -9.198 -11.371 1.00 0.00 O ATOM 1940 OE2 GLU A 125 10.992 -11.099 -11.888 1.00 0.00 O ATOM 0 H GLU A 125 12.030 -12.668 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 125 12.760 -10.984 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.605 -10.675 -7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.117 -9.360 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.028 -11.994 -9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 125 9.032 -10.585 -9.444 1.00 0.00 H new ATOM 1947 N ASP A 126 13.415 -9.039 -7.982 1.00 0.00 N ATOM 1948 CA ASP A 126 14.229 -8.187 -7.133 1.00 0.00 C ATOM 1949 C ASP A 126 13.538 -6.840 -6.984 1.00 0.00 C ATOM 1950 O ASP A 126 12.559 -6.566 -7.680 1.00 0.00 O ATOM 1951 CB ASP A 126 15.620 -8.002 -7.740 1.00 0.00 C ATOM 1952 CG ASP A 126 16.657 -7.581 -6.716 1.00 0.00 C ATOM 1953 OD1 ASP A 126 16.741 -6.374 -6.396 1.00 0.00 O ATOM 1954 OD2 ASP A 126 17.400 -8.455 -6.227 1.00 0.00 O ATOM 0 H ASP A 126 12.882 -8.533 -8.689 1.00 0.00 H new ATOM 0 HA ASP A 126 14.345 -8.652 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 126 15.935 -8.935 -8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 126 15.570 -7.252 -8.529 1.00 0.00 H new ATOM 1959 N ILE A 127 14.031 -6.007 -6.083 1.00 0.00 N ATOM 1960 CA ILE A 127 13.446 -4.692 -5.875 1.00 0.00 C ATOM 1961 C ILE A 127 14.290 -3.632 -6.576 1.00 0.00 C ATOM 1962 O ILE A 127 13.841 -2.513 -6.791 1.00 0.00 O ATOM 1963 CB ILE A 127 13.340 -4.331 -4.377 1.00 0.00 C ATOM 1964 CG1 ILE A 127 12.912 -5.546 -3.548 1.00 0.00 C ATOM 1965 CG2 ILE A 127 12.347 -3.192 -4.180 1.00 0.00 C ATOM 1966 CD1 ILE A 127 12.893 -5.273 -2.059 1.00 0.00 C ATOM 0 H ILE A 127 14.831 -6.216 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 127 12.439 -4.720 -6.292 1.00 0.00 H new ATOM 0 HB ILE A 127 14.325 -4.012 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.919 -5.863 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.591 -6.374 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.281 -2.946 -3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 127 12.683 -2.316 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 127 11.366 -3.498 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.582 -6.173 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.891 -4.984 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.193 -4.465 -1.846 1.00 0.00 H new ATOM 2047 N LYS A 132 17.319 -0.373 1.765 1.00 0.00 N ATOM 2048 CA LYS A 132 16.394 0.546 2.414 1.00 0.00 C ATOM 2049 C LYS A 132 15.259 -0.200 3.102 1.00 0.00 C ATOM 2050 O LYS A 132 14.863 0.142 4.216 1.00 0.00 O ATOM 2051 CB LYS A 132 15.815 1.522 1.384 1.00 0.00 C ATOM 2052 CG LYS A 132 16.846 2.464 0.784 1.00 0.00 C ATOM 2053 CD LYS A 132 17.418 3.402 1.834 1.00 0.00 C ATOM 2054 CE LYS A 132 16.350 4.333 2.390 1.00 0.00 C ATOM 2055 NZ LYS A 132 16.816 5.034 3.611 1.00 0.00 N ATOM 0 HA LYS A 132 16.950 1.097 3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 132 15.346 0.953 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 132 15.030 2.112 1.857 1.00 0.00 H new ATOM 0 HG2 LYS A 132 17.652 1.885 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 132 16.387 3.046 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 132 17.853 2.819 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 132 18.224 3.991 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 132 16.076 5.066 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.451 3.760 2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 16.062 5.659 3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 17.054 4.335 4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.659 5.600 3.386 1.00 0.00 H new ATOM 2069 N MET A 133 14.747 -1.226 2.438 1.00 0.00 N ATOM 2070 CA MET A 133 13.582 -1.943 2.934 1.00 0.00 C ATOM 2071 C MET A 133 13.998 -3.132 3.786 1.00 0.00 C ATOM 2072 O MET A 133 15.160 -3.543 3.771 1.00 0.00 O ATOM 2073 CB MET A 133 12.702 -2.399 1.767 1.00 0.00 C ATOM 2074 CG MET A 133 12.246 -1.250 0.886 1.00 0.00 C ATOM 2075 SD MET A 133 11.110 -1.759 -0.414 1.00 0.00 S ATOM 2076 CE MET A 133 9.631 -2.083 0.541 1.00 0.00 C ATOM 0 H MET A 133 15.119 -1.580 1.557 1.00 0.00 H new ATOM 0 HA MET A 133 13.005 -1.264 3.562 1.00 0.00 H new ATOM 0 HB2 MET A 133 13.254 -3.117 1.161 1.00 0.00 H new ATOM 0 HB3 MET A 133 11.828 -2.918 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 133 11.763 -0.495 1.506 1.00 0.00 H new ATOM 0 HG3 MET A 133 13.119 -0.780 0.433 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.357 -3.133 0.442 1.00 0.00 H new ATOM 0 HE2 MET A 133 9.818 -1.854 1.590 1.00 0.00 H new ATOM 0 HE3 MET A 133 8.817 -1.459 0.173 1.00 0.00 H new ATOM 2086 N LYS A 134 13.049 -3.668 4.535 1.00 0.00 N ATOM 2087 CA LYS A 134 13.318 -4.777 5.440 1.00 0.00 C ATOM 2088 C LYS A 134 12.355 -5.932 5.189 1.00 0.00 C ATOM 2089 O LYS A 134 11.166 -5.722 4.937 1.00 0.00 O ATOM 2090 CB LYS A 134 13.224 -4.304 6.897 1.00 0.00 C ATOM 2091 CG LYS A 134 11.934 -3.561 7.218 1.00 0.00 C ATOM 2092 CD LYS A 134 11.937 -2.986 8.626 1.00 0.00 C ATOM 2093 CE LYS A 134 11.899 -4.074 9.689 1.00 0.00 C ATOM 2094 NZ LYS A 134 10.669 -4.904 9.593 1.00 0.00 N ATOM 0 H LYS A 134 12.079 -3.352 4.535 1.00 0.00 H new ATOM 0 HA LYS A 134 14.330 -5.137 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 134 13.309 -5.168 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.071 -3.653 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.793 -2.755 6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.088 -4.240 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.829 -2.375 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.077 -2.328 8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.776 -4.713 9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.952 -3.617 10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.441 -5.296 10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 9.878 -4.315 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.827 -5.682 8.921 1.00 0.00 H new ATOM 2108 N LEU A 135 12.878 -7.146 5.259 1.00 0.00 N ATOM 2109 CA LEU A 135 12.083 -8.342 5.023 1.00 0.00 C ATOM 2110 C LEU A 135 11.289 -8.704 6.270 1.00 0.00 C ATOM 2111 O LEU A 135 11.840 -8.783 7.368 1.00 0.00 O ATOM 2112 CB LEU A 135 12.988 -9.512 4.625 1.00 0.00 C ATOM 2113 CG LEU A 135 12.261 -10.817 4.282 1.00 0.00 C ATOM 2114 CD1 LEU A 135 11.410 -10.651 3.035 1.00 0.00 C ATOM 2115 CD2 LEU A 135 13.258 -11.948 4.099 1.00 0.00 C ATOM 0 H LEU A 135 13.857 -7.330 5.479 1.00 0.00 H new ATOM 0 HA LEU A 135 11.388 -8.139 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 135 13.585 -9.211 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 135 13.683 -9.707 5.442 1.00 0.00 H new ATOM 0 HG LEU A 135 11.601 -11.067 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 135 10.904 -11.590 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.668 -9.870 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 135 12.046 -10.373 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 135 12.725 -12.867 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 135 13.944 -11.701 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 135 13.822 -12.089 5.021 1.00 0.00 H new ATOM 2127 N VAL A 136 9.997 -8.911 6.095 1.00 0.00 N ATOM 2128 CA VAL A 136 9.125 -9.290 7.197 1.00 0.00 C ATOM 2129 C VAL A 136 8.408 -10.596 6.890 1.00 0.00 C ATOM 2130 O VAL A 136 7.970 -10.828 5.759 1.00 0.00 O ATOM 2131 CB VAL A 136 8.079 -8.200 7.517 1.00 0.00 C ATOM 2132 CG1 VAL A 136 8.402 -7.517 8.834 1.00 0.00 C ATOM 2133 CG2 VAL A 136 8.000 -7.174 6.399 1.00 0.00 C ATOM 0 H VAL A 136 9.524 -8.823 5.196 1.00 0.00 H new ATOM 0 HA VAL A 136 9.764 -9.415 8.071 1.00 0.00 H new ATOM 0 HB VAL A 136 7.107 -8.686 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.653 -6.753 9.041 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.399 -8.254 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.386 -7.053 8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.256 -6.418 6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.972 -6.698 6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.715 -7.669 5.471 1.00 0.00 H new ATOM 2143 N ASN A 137 8.307 -11.447 7.896 1.00 0.00 N ATOM 2144 CA ASN A 137 7.639 -12.733 7.755 1.00 0.00 C ATOM 2145 C ASN A 137 6.396 -12.768 8.629 1.00 0.00 C ATOM 2146 O ASN A 137 6.495 -12.829 9.858 1.00 0.00 O ATOM 2147 CB ASN A 137 8.578 -13.877 8.151 1.00 0.00 C ATOM 2148 CG ASN A 137 9.808 -13.965 7.269 1.00 0.00 C ATOM 2149 OD1 ASN A 137 10.828 -13.323 7.539 1.00 0.00 O ATOM 2150 ND2 ASN A 137 9.726 -14.767 6.218 1.00 0.00 N ATOM 0 H ASN A 137 8.682 -11.270 8.828 1.00 0.00 H new ATOM 0 HA ASN A 137 7.354 -12.860 6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 137 8.889 -13.742 9.187 1.00 0.00 H new ATOM 0 HB3 ASN A 137 8.034 -14.820 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 137 10.526 -14.873 5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 137 8.863 -15.279 6.033 1.00 0.00 H new ATOM 2157 N TYR A 138 5.232 -12.717 8.010 1.00 0.00 N ATOM 2158 CA TYR A 138 3.986 -12.707 8.756 1.00 0.00 C ATOM 2159 C TYR A 138 3.018 -13.729 8.181 1.00 0.00 C ATOM 2160 O TYR A 138 2.470 -13.540 7.098 1.00 0.00 O ATOM 2161 CB TYR A 138 3.366 -11.304 8.743 1.00 0.00 C ATOM 2162 CG TYR A 138 2.195 -11.144 9.690 1.00 0.00 C ATOM 2163 CD1 TYR A 138 2.402 -10.870 11.038 1.00 0.00 C ATOM 2164 CD2 TYR A 138 0.888 -11.268 9.240 1.00 0.00 C ATOM 2165 CE1 TYR A 138 1.335 -10.727 11.907 1.00 0.00 C ATOM 2166 CE2 TYR A 138 -0.180 -11.128 10.104 1.00 0.00 C ATOM 2167 CZ TYR A 138 0.048 -10.856 11.433 1.00 0.00 C ATOM 2168 OH TYR A 138 -1.021 -10.725 12.292 1.00 0.00 O ATOM 0 H TYR A 138 5.122 -12.682 6.997 1.00 0.00 H new ATOM 0 HA TYR A 138 4.196 -12.978 9.791 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.134 -10.575 9.003 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.036 -11.072 7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 138 3.410 -10.767 11.412 1.00 0.00 H new ATOM 0 HD2 TYR A 138 0.703 -11.477 8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 138 1.510 -10.515 12.951 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -1.191 -11.232 9.738 1.00 0.00 H new ATOM 0 HH TYR A 138 -1.628 -11.485 12.177 1.00 0.00 H new ATOM 2178 N GLY A 139 2.844 -14.830 8.897 1.00 0.00 N ATOM 2179 CA GLY A 139 1.927 -15.863 8.458 1.00 0.00 C ATOM 2180 C GLY A 139 2.536 -16.750 7.394 1.00 0.00 C ATOM 2181 O GLY A 139 1.842 -17.203 6.483 1.00 0.00 O ATOM 0 H GLY A 139 3.322 -15.027 9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 139 1.632 -16.472 9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 139 1.020 -15.400 8.068 1.00 0.00 H new ATOM 2185 N ARG A 140 3.849 -16.974 7.508 1.00 0.00 N ATOM 2186 CA ARG A 140 4.601 -17.841 6.592 1.00 0.00 C ATOM 2187 C ARG A 140 4.846 -17.168 5.241 1.00 0.00 C ATOM 2188 O ARG A 140 5.672 -17.632 4.451 1.00 0.00 O ATOM 2189 CB ARG A 140 3.915 -19.199 6.381 1.00 0.00 C ATOM 2190 CG ARG A 140 4.132 -20.217 7.499 1.00 0.00 C ATOM 2191 CD ARG A 140 3.258 -19.954 8.719 1.00 0.00 C ATOM 2192 NE ARG A 140 3.851 -18.985 9.639 1.00 0.00 N ATOM 2193 CZ ARG A 140 3.263 -18.561 10.757 1.00 0.00 C ATOM 2194 NH1 ARG A 140 2.053 -18.997 11.083 1.00 0.00 N ATOM 2195 NH2 ARG A 140 3.885 -17.690 11.538 1.00 0.00 N ATOM 0 H ARG A 140 4.423 -16.558 8.241 1.00 0.00 H new ATOM 0 HA ARG A 140 5.564 -18.018 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 140 2.844 -19.033 6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 140 4.274 -19.628 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 140 3.924 -21.217 7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 140 5.180 -20.202 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 140 2.284 -19.589 8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 140 3.086 -20.892 9.247 1.00 0.00 H new ATOM 0 HE ARG A 140 4.772 -18.610 9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 140 1.569 -19.659 10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 140 1.607 -18.670 11.940 1.00 0.00 H new ATOM 0 HH21 ARG A 140 4.811 -17.346 11.283 1.00 0.00 H new ATOM 0 HH22 ARG A 140 3.438 -17.363 12.395 1.00 0.00 H new ATOM 2209 N THR A 141 4.131 -16.087 4.969 1.00 0.00 N ATOM 2210 CA THR A 141 4.357 -15.324 3.758 1.00 0.00 C ATOM 2211 C THR A 141 5.330 -14.186 4.062 1.00 0.00 C ATOM 2212 O THR A 141 5.296 -13.600 5.150 1.00 0.00 O ATOM 2213 CB THR A 141 3.027 -14.786 3.160 1.00 0.00 C ATOM 2214 OG1 THR A 141 3.235 -14.309 1.824 1.00 0.00 O ATOM 2215 CG2 THR A 141 2.434 -13.670 4.007 1.00 0.00 C ATOM 0 H THR A 141 3.392 -15.722 5.570 1.00 0.00 H new ATOM 0 HA THR A 141 4.792 -15.979 3.003 1.00 0.00 H new ATOM 0 HB THR A 141 2.322 -15.617 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 141 2.388 -13.975 1.460 1.00 0.00 H new ATOM 0 HG21 THR A 141 1.506 -13.323 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 141 2.230 -14.044 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 141 3.141 -12.842 4.065 1.00 0.00 H new ATOM 2223 N TYR A 142 6.224 -13.900 3.129 1.00 0.00 N ATOM 2224 CA TYR A 142 7.245 -12.894 3.357 1.00 0.00 C ATOM 2225 C TYR A 142 7.121 -11.761 2.352 1.00 0.00 C ATOM 2226 O TYR A 142 6.784 -11.973 1.182 1.00 0.00 O ATOM 2227 CB TYR A 142 8.649 -13.514 3.314 1.00 0.00 C ATOM 2228 CG TYR A 142 9.084 -14.011 1.954 1.00 0.00 C ATOM 2229 CD1 TYR A 142 8.715 -15.269 1.495 1.00 0.00 C ATOM 2230 CD2 TYR A 142 9.877 -13.218 1.135 1.00 0.00 C ATOM 2231 CE1 TYR A 142 9.124 -15.720 0.254 1.00 0.00 C ATOM 2232 CE2 TYR A 142 10.286 -13.661 -0.104 1.00 0.00 C ATOM 2233 CZ TYR A 142 9.910 -14.912 -0.540 1.00 0.00 C ATOM 2234 OH TYR A 142 10.321 -15.357 -1.776 1.00 0.00 O ATOM 0 H TYR A 142 6.263 -14.348 2.213 1.00 0.00 H new ATOM 0 HA TYR A 142 7.093 -12.480 4.354 1.00 0.00 H new ATOM 0 HB2 TYR A 142 9.369 -12.772 3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 142 8.685 -14.346 4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.100 -15.903 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 142 10.178 -12.238 1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 142 8.830 -16.700 -0.092 1.00 0.00 H new ATOM 0 HE2 TYR A 142 10.899 -13.030 -0.730 1.00 0.00 H new ATOM 0 HH TYR A 142 10.867 -14.667 -2.207 1.00 0.00 H new ATOM 2244 N PHE A 143 7.391 -10.560 2.826 1.00 0.00 N ATOM 2245 CA PHE A 143 7.294 -9.356 2.018 1.00 0.00 C ATOM 2246 C PHE A 143 8.267 -8.312 2.547 1.00 0.00 C ATOM 2247 O PHE A 143 8.904 -8.522 3.579 1.00 0.00 O ATOM 2248 CB PHE A 143 5.855 -8.816 2.035 1.00 0.00 C ATOM 2249 CG PHE A 143 5.236 -8.784 3.406 1.00 0.00 C ATOM 2250 CD1 PHE A 143 4.569 -9.894 3.902 1.00 0.00 C ATOM 2251 CD2 PHE A 143 5.327 -7.654 4.201 1.00 0.00 C ATOM 2252 CE1 PHE A 143 4.005 -9.877 5.163 1.00 0.00 C ATOM 2253 CE2 PHE A 143 4.767 -7.632 5.463 1.00 0.00 C ATOM 2254 CZ PHE A 143 4.106 -8.746 5.945 1.00 0.00 C ATOM 0 H PHE A 143 7.686 -10.389 3.788 1.00 0.00 H new ATOM 0 HA PHE A 143 7.554 -9.592 0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 143 5.850 -7.808 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.237 -9.432 1.382 1.00 0.00 H new ATOM 0 HD1 PHE A 143 4.489 -10.783 3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.842 -6.780 3.830 1.00 0.00 H new ATOM 0 HE1 PHE A 143 3.486 -10.748 5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 143 4.846 -6.744 6.073 1.00 0.00 H new ATOM 0 HZ PHE A 143 3.669 -8.731 6.933 1.00 0.00 H new ATOM 2264 N TYR A 144 8.391 -7.200 1.843 1.00 0.00 N ATOM 2265 CA TYR A 144 9.302 -6.144 2.261 1.00 0.00 C ATOM 2266 C TYR A 144 8.531 -4.903 2.675 1.00 0.00 C ATOM 2267 O TYR A 144 7.661 -4.432 1.943 1.00 0.00 O ATOM 2268 CB TYR A 144 10.282 -5.788 1.139 1.00 0.00 C ATOM 2269 CG TYR A 144 11.347 -6.831 0.899 1.00 0.00 C ATOM 2270 CD1 TYR A 144 11.143 -7.871 0.002 1.00 0.00 C ATOM 2271 CD2 TYR A 144 12.564 -6.768 1.566 1.00 0.00 C ATOM 2272 CE1 TYR A 144 12.123 -8.820 -0.222 1.00 0.00 C ATOM 2273 CE2 TYR A 144 13.547 -7.713 1.348 1.00 0.00 C ATOM 2274 CZ TYR A 144 13.322 -8.737 0.455 1.00 0.00 C ATOM 2275 OH TYR A 144 14.298 -9.679 0.235 1.00 0.00 O ATOM 0 H TYR A 144 7.877 -7.004 0.984 1.00 0.00 H new ATOM 0 HA TYR A 144 9.867 -6.515 3.116 1.00 0.00 H new ATOM 0 HB2 TYR A 144 9.722 -5.636 0.216 1.00 0.00 H new ATOM 0 HB3 TYR A 144 10.764 -4.840 1.379 1.00 0.00 H new ATOM 0 HD1 TYR A 144 10.205 -7.940 -0.529 1.00 0.00 H new ATOM 0 HD2 TYR A 144 12.744 -5.966 2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 144 11.951 -9.623 -0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 144 14.487 -7.649 1.875 1.00 0.00 H new ATOM 0 HH TYR A 144 15.080 -9.475 0.789 1.00 0.00 H new ATOM 2285 N GLU A 145 8.847 -4.383 3.849 1.00 0.00 N ATOM 2286 CA GLU A 145 8.261 -3.134 4.301 1.00 0.00 C ATOM 2287 C GLU A 145 9.350 -2.076 4.429 1.00 0.00 C ATOM 2288 O GLU A 145 10.536 -2.395 4.559 1.00 0.00 O ATOM 2289 CB GLU A 145 7.529 -3.301 5.644 1.00 0.00 C ATOM 2290 CG GLU A 145 8.460 -3.463 6.835 1.00 0.00 C ATOM 2291 CD GLU A 145 7.738 -3.469 8.174 1.00 0.00 C ATOM 2292 OE1 GLU A 145 6.506 -3.266 8.206 1.00 0.00 O ATOM 2293 OE2 GLU A 145 8.414 -3.672 9.206 1.00 0.00 O ATOM 0 H GLU A 145 9.504 -4.806 4.504 1.00 0.00 H new ATOM 0 HA GLU A 145 7.525 -2.819 3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.891 -2.433 5.809 1.00 0.00 H new ATOM 0 HB3 GLU A 145 6.875 -4.171 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.016 -4.394 6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.190 -2.653 6.828 1.00 0.00 H new ATOM 2300 N TYR A 146 8.943 -0.827 4.369 1.00 0.00 N ATOM 2301 CA TYR A 146 9.850 0.291 4.546 1.00 0.00 C ATOM 2302 C TYR A 146 9.186 1.367 5.384 1.00 0.00 C ATOM 2303 O TYR A 146 8.106 1.849 5.048 1.00 0.00 O ATOM 2304 CB TYR A 146 10.278 0.870 3.193 1.00 0.00 C ATOM 2305 CG TYR A 146 10.958 2.216 3.311 1.00 0.00 C ATOM 2306 CD1 TYR A 146 12.174 2.345 3.966 1.00 0.00 C ATOM 2307 CD2 TYR A 146 10.372 3.360 2.784 1.00 0.00 C ATOM 2308 CE1 TYR A 146 12.789 3.573 4.095 1.00 0.00 C ATOM 2309 CE2 TYR A 146 10.981 4.594 2.903 1.00 0.00 C ATOM 2310 CZ TYR A 146 12.190 4.696 3.561 1.00 0.00 C ATOM 2311 OH TYR A 146 12.802 5.925 3.689 1.00 0.00 O ATOM 0 H TYR A 146 7.975 -0.556 4.196 1.00 0.00 H new ATOM 0 HA TYR A 146 10.741 -0.069 5.060 1.00 0.00 H new ATOM 0 HB2 TYR A 146 10.954 0.170 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 146 9.401 0.968 2.553 1.00 0.00 H new ATOM 0 HD1 TYR A 146 12.648 1.468 4.382 1.00 0.00 H new ATOM 0 HD2 TYR A 146 9.424 3.283 2.272 1.00 0.00 H new ATOM 0 HE1 TYR A 146 13.734 3.655 4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 146 10.514 5.473 2.484 1.00 0.00 H new ATOM 0 HH TYR A 146 12.251 6.611 3.258 1.00 0.00 H new ATOM 2321 N ILE A 147 9.830 1.739 6.470 1.00 0.00 N ATOM 2322 CA ILE A 147 9.287 2.746 7.360 1.00 0.00 C ATOM 2323 C ILE A 147 9.834 4.114 6.982 1.00 0.00 C ATOM 2324 O ILE A 147 11.010 4.406 7.213 1.00 0.00 O ATOM 2325 CB ILE A 147 9.603 2.452 8.852 1.00 0.00 C ATOM 2326 CG1 ILE A 147 8.849 1.211 9.351 1.00 0.00 C ATOM 2327 CG2 ILE A 147 9.257 3.655 9.719 1.00 0.00 C ATOM 2328 CD1 ILE A 147 9.410 -0.107 8.855 1.00 0.00 C ATOM 0 H ILE A 147 10.731 1.359 6.759 1.00 0.00 H new ATOM 0 HA ILE A 147 8.203 2.728 7.247 1.00 0.00 H new ATOM 0 HB ILE A 147 10.672 2.254 8.929 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.860 1.209 10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.806 1.287 9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 147 9.485 3.430 10.761 1.00 0.00 H new ATOM 0 HG22 ILE A 147 9.843 4.516 9.397 1.00 0.00 H new ATOM 0 HG23 ILE A 147 8.195 3.881 9.621 1.00 0.00 H new ATOM 0 HD11 ILE A 147 8.817 -0.929 9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 147 9.374 -0.131 7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 147 10.443 -0.210 9.186 1.00 0.00 H new ATOM 2340 N ALA A 148 8.989 4.933 6.364 1.00 0.00 N ATOM 2341 CA ALA A 148 9.378 6.281 5.989 1.00 0.00 C ATOM 2342 C ALA A 148 9.721 7.105 7.220 1.00 0.00 C ATOM 2343 O ALA A 148 8.865 7.369 8.071 1.00 0.00 O ATOM 2344 CB ALA A 148 8.279 6.957 5.190 1.00 0.00 C ATOM 0 H ALA A 148 8.032 4.684 6.114 1.00 0.00 H new ATOM 0 HA ALA A 148 10.267 6.212 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 148 8.593 7.965 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 148 8.083 6.384 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 148 7.371 7.008 5.791 1.00 0.00 H new ATOM 2350 N GLU A 149 10.981 7.489 7.310 1.00 0.00 N ATOM 2351 CA GLU A 149 11.472 8.296 8.414 1.00 0.00 C ATOM 2352 C GLU A 149 11.053 9.743 8.263 1.00 0.00 C ATOM 2353 O GLU A 149 10.332 10.114 7.335 1.00 0.00 O ATOM 2354 CB GLU A 149 12.994 8.229 8.484 1.00 0.00 C ATOM 2355 CG GLU A 149 13.521 6.891 8.936 1.00 0.00 C ATOM 2356 CD GLU A 149 13.189 6.590 10.381 1.00 0.00 C ATOM 2357 OE1 GLU A 149 12.037 6.200 10.667 1.00 0.00 O ATOM 2358 OE2 GLU A 149 14.085 6.727 11.239 1.00 0.00 O ATOM 0 H GLU A 149 11.694 7.251 6.620 1.00 0.00 H new ATOM 0 HA GLU A 149 11.040 7.894 9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 149 13.405 8.458 7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 149 13.352 9.000 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 149 13.105 6.108 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 149 14.603 6.868 8.804 1.00 0.00 H new