USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=30 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 120 LYS NZ :NH3+ 176:sc= 0.37 (180deg=-0.648) USER MOD Set 1.2: A 141 THR OG1 : rot 170:sc= 0.985 USER MOD Set 2.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0.025) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -163:sc= 1.18 USER MOD Single : A 32 CYS SG : rot 79:sc= 1.17 USER MOD Single : A 33 SER OG : rot -62:sc= 1.45 USER MOD Single : A 37 THR OG1 : rot 130:sc= 0.322 USER MOD Single : A 49 TYR OH : rot -140:sc= 0.372 USER MOD Single : A 51 SER OG : rot -127:sc= 1.31 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 0.675 (180deg=0.153) USER MOD Single : A 58 SER OG : rot 70:sc= -0.0238 USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.0783 (180deg=-0.441) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 68 LYS NZ :NH3+ -152:sc= -1.18 (180deg=-2.61!) 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 -149:sc= -1.33 (180deg=-2.99!) USER MOD Single : A 87 TYR OH : rot -25:sc= 1.03 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.0439 USER MOD Single : A 95 SER OG : rot 140:sc= -0.937 USER MOD Single : A 103 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-3.4!) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00145 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl -162:sc= -0.0765 (180deg=-0.528) 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 -126:sc= -0.18 (180deg=-0.262) USER MOD Single : A 134 LYS NZ :NH3+ -161:sc= 1.08 (180deg=0.779) USER MOD Single : A 137 ASN : amide:sc= -3.58! K(o=-3.6!,f=-0.0024) USER MOD Single : A 138 TYR OH : rot -140:sc= -0.088 USER MOD Single : A 142 TYR OH : rot 43:sc= 1.24 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 -2.424 -12.659 1.079 1.00 0.00 N ATOM 306 CA TRP A 22 -2.812 -11.265 1.203 1.00 0.00 C ATOM 307 C TRP A 22 -3.757 -11.069 2.380 1.00 0.00 C ATOM 308 O TRP A 22 -3.805 -9.993 2.970 1.00 0.00 O ATOM 309 CB TRP A 22 -3.462 -10.785 -0.093 1.00 0.00 C ATOM 310 CG TRP A 22 -2.581 -10.961 -1.290 1.00 0.00 C ATOM 311 CD1 TRP A 22 -2.554 -12.032 -2.135 1.00 0.00 C ATOM 312 CD2 TRP A 22 -1.588 -10.046 -1.772 1.00 0.00 C ATOM 313 NE1 TRP A 22 -1.609 -11.840 -3.112 1.00 0.00 N ATOM 314 CE2 TRP A 22 -1.003 -10.629 -2.911 1.00 0.00 C ATOM 315 CE3 TRP A 22 -1.141 -8.792 -1.353 1.00 0.00 C ATOM 316 CZ2 TRP A 22 0.005 -10.000 -3.637 1.00 0.00 C ATOM 317 CZ3 TRP A 22 -0.137 -8.169 -2.072 1.00 0.00 C ATOM 318 CH2 TRP A 22 0.427 -8.775 -3.202 1.00 0.00 C ATOM 0 HA TRP A 22 -1.917 -10.671 1.388 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -4.392 -11.331 -0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.724 -9.732 0.007 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.185 -12.904 -2.048 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.393 -12.493 -3.865 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.571 -8.317 -0.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.437 -10.463 -4.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.218 -7.199 -1.757 1.00 0.00 H new ATOM 0 HH2 TRP A 22 1.211 -8.264 -3.740 1.00 0.00 H new ATOM 329 N ASN A 23 -4.500 -12.123 2.720 1.00 0.00 N ATOM 330 CA ASN A 23 -5.408 -12.090 3.867 1.00 0.00 C ATOM 331 C ASN A 23 -4.666 -11.722 5.142 1.00 0.00 C ATOM 332 O ASN A 23 -5.062 -10.806 5.863 1.00 0.00 O ATOM 333 CB ASN A 23 -6.098 -13.443 4.069 1.00 0.00 C ATOM 334 CG ASN A 23 -7.356 -13.604 3.239 1.00 0.00 C ATOM 335 OD1 ASN A 23 -7.319 -14.112 2.121 1.00 0.00 O ATOM 336 ND2 ASN A 23 -8.488 -13.191 3.795 1.00 0.00 N ATOM 0 H ASN A 23 -4.491 -13.010 2.217 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.161 -11.331 3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.400 -14.241 3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.349 -13.561 5.123 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.369 -13.290 3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.477 -12.774 4.726 1.00 0.00 H new ATOM 343 N ASP A 24 -3.584 -12.439 5.417 1.00 0.00 N ATOM 344 CA ASP A 24 -2.829 -12.218 6.641 1.00 0.00 C ATOM 345 C ASP A 24 -1.975 -10.965 6.519 1.00 0.00 C ATOM 346 O ASP A 24 -1.704 -10.292 7.513 1.00 0.00 O ATOM 347 CB ASP A 24 -1.964 -13.433 6.977 1.00 0.00 C ATOM 348 CG ASP A 24 -1.954 -13.725 8.467 1.00 0.00 C ATOM 349 OD1 ASP A 24 -3.043 -13.719 9.087 1.00 0.00 O ATOM 350 OD2 ASP A 24 -0.870 -13.999 9.021 1.00 0.00 O ATOM 0 H ASP A 24 -3.213 -13.173 4.814 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.537 -12.075 7.457 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.337 -14.304 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.944 -13.259 6.634 1.00 0.00 H new ATOM 355 N LEU A 25 -1.569 -10.646 5.291 1.00 0.00 N ATOM 356 CA LEU A 25 -0.847 -9.409 5.026 1.00 0.00 C ATOM 357 C LEU A 25 -1.696 -8.215 5.438 1.00 0.00 C ATOM 358 O LEU A 25 -1.216 -7.291 6.096 1.00 0.00 O ATOM 359 CB LEU A 25 -0.482 -9.288 3.544 1.00 0.00 C ATOM 360 CG LEU A 25 0.143 -7.946 3.147 1.00 0.00 C ATOM 361 CD1 LEU A 25 1.469 -7.742 3.859 1.00 0.00 C ATOM 362 CD2 LEU A 25 0.323 -7.860 1.642 1.00 0.00 C ATOM 0 H LEU A 25 -1.729 -11.227 4.468 1.00 0.00 H new ATOM 0 HA LEU A 25 0.074 -9.425 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.214 -10.087 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.381 -9.445 2.948 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.536 -7.150 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.897 -6.784 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.308 -7.751 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.155 -8.545 3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.768 -6.899 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.977 -8.665 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.647 -7.954 1.154 1.00 0.00 H new ATOM 374 N ALA A 26 -2.965 -8.253 5.044 1.00 0.00 N ATOM 375 CA ALA A 26 -3.914 -7.204 5.381 1.00 0.00 C ATOM 376 C ALA A 26 -3.986 -7.009 6.888 1.00 0.00 C ATOM 377 O ALA A 26 -3.965 -5.882 7.366 1.00 0.00 O ATOM 378 CB ALA A 26 -5.286 -7.530 4.814 1.00 0.00 C ATOM 0 H ALA A 26 -3.361 -9.009 4.485 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.570 -6.271 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.985 -6.736 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.221 -7.615 3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.637 -8.474 5.231 1.00 0.00 H new ATOM 384 N VAL A 27 -4.047 -8.116 7.628 1.00 0.00 N ATOM 385 CA VAL A 27 -4.063 -8.068 9.091 1.00 0.00 C ATOM 386 C VAL A 27 -2.871 -7.275 9.622 1.00 0.00 C ATOM 387 O VAL A 27 -3.023 -6.410 10.483 1.00 0.00 O ATOM 388 CB VAL A 27 -4.043 -9.487 9.704 1.00 0.00 C ATOM 389 CG1 VAL A 27 -4.005 -9.423 11.225 1.00 0.00 C ATOM 390 CG2 VAL A 27 -5.243 -10.292 9.229 1.00 0.00 C ATOM 0 H VAL A 27 -4.086 -9.058 7.239 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.988 -7.572 9.384 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.137 -9.989 9.366 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.992 -10.434 11.631 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.109 -8.892 11.545 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.888 -8.897 11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.211 -11.288 9.671 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.161 -9.789 9.532 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.217 -10.376 8.143 1.00 0.00 H new ATOM 400 N TYR A 28 -1.691 -7.570 9.089 1.00 0.00 N ATOM 401 CA TYR A 28 -0.469 -6.867 9.461 1.00 0.00 C ATOM 402 C TYR A 28 -0.612 -5.372 9.185 1.00 0.00 C ATOM 403 O TYR A 28 -0.274 -4.537 10.022 1.00 0.00 O ATOM 404 CB TYR A 28 0.708 -7.441 8.667 1.00 0.00 C ATOM 405 CG TYR A 28 2.053 -6.813 8.967 1.00 0.00 C ATOM 406 CD1 TYR A 28 2.728 -7.102 10.144 1.00 0.00 C ATOM 407 CD2 TYR A 28 2.657 -5.952 8.060 1.00 0.00 C ATOM 408 CE1 TYR A 28 3.966 -6.553 10.409 1.00 0.00 C ATOM 409 CE2 TYR A 28 3.894 -5.394 8.321 1.00 0.00 C ATOM 410 CZ TYR A 28 4.543 -5.698 9.496 1.00 0.00 C ATOM 411 OH TYR A 28 5.787 -5.165 9.752 1.00 0.00 O ATOM 0 H TYR A 28 -1.554 -8.300 8.390 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.287 -7.003 10.527 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.772 -8.511 8.865 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.500 -7.325 7.603 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.277 -7.768 10.865 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.152 -5.715 7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.480 -6.793 11.328 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.349 -4.723 7.607 1.00 0.00 H new ATOM 0 HH TYR A 28 5.938 -4.392 9.168 1.00 0.00 H new ATOM 421 N ILE A 29 -1.133 -5.050 8.008 1.00 0.00 N ATOM 422 CA ILE A 29 -1.353 -3.665 7.607 1.00 0.00 C ATOM 423 C ILE A 29 -2.364 -2.989 8.531 1.00 0.00 C ATOM 424 O ILE A 29 -2.144 -1.871 8.999 1.00 0.00 O ATOM 425 CB ILE A 29 -1.856 -3.593 6.148 1.00 0.00 C ATOM 426 CG1 ILE A 29 -0.840 -4.262 5.218 1.00 0.00 C ATOM 427 CG2 ILE A 29 -2.096 -2.147 5.729 1.00 0.00 C ATOM 428 CD1 ILE A 29 -1.354 -4.488 3.812 1.00 0.00 C ATOM 0 H ILE A 29 -1.414 -5.736 7.308 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.400 -3.141 7.680 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.805 -4.124 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.057 -3.645 5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.546 -5.221 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.450 -2.121 4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.845 -1.699 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.165 -1.586 5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.578 -4.965 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.234 -5.131 3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.621 -3.531 3.364 1.00 0.00 H new ATOM 440 N ILE A 30 -3.462 -3.690 8.795 1.00 0.00 N ATOM 441 CA ILE A 30 -4.511 -3.208 9.689 1.00 0.00 C ATOM 442 C ILE A 30 -3.949 -2.904 11.074 1.00 0.00 C ATOM 443 O ILE A 30 -4.243 -1.866 11.664 1.00 0.00 O ATOM 444 CB ILE A 30 -5.644 -4.255 9.824 1.00 0.00 C ATOM 445 CG1 ILE A 30 -6.333 -4.473 8.477 1.00 0.00 C ATOM 446 CG2 ILE A 30 -6.660 -3.825 10.873 1.00 0.00 C ATOM 447 CD1 ILE A 30 -7.195 -5.718 8.422 1.00 0.00 C ATOM 0 H ILE A 30 -3.650 -4.609 8.395 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.914 -2.293 9.255 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.198 -5.196 10.146 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.952 -3.604 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.574 -4.534 7.697 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.445 -4.577 10.949 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.164 -3.720 11.838 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.099 -2.870 10.584 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.649 -5.803 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.579 -6.596 8.614 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.978 -5.652 9.177 1.00 0.00 H new ATOM 459 N ARG A 31 -3.116 -3.800 11.573 1.00 0.00 N ATOM 460 CA ARG A 31 -2.570 -3.674 12.915 1.00 0.00 C ATOM 461 C ARG A 31 -1.525 -2.566 12.985 1.00 0.00 C ATOM 462 O ARG A 31 -1.247 -2.033 14.057 1.00 0.00 O ATOM 463 CB ARG A 31 -1.983 -5.012 13.366 1.00 0.00 C ATOM 464 CG ARG A 31 -3.051 -6.073 13.587 1.00 0.00 C ATOM 465 CD ARG A 31 -2.463 -7.426 13.940 1.00 0.00 C ATOM 466 NE ARG A 31 -3.416 -8.214 14.723 1.00 0.00 N ATOM 467 CZ ARG A 31 -3.163 -9.405 15.259 1.00 0.00 C ATOM 468 NH1 ARG A 31 -1.999 -10.007 15.055 1.00 0.00 N ATOM 469 NH2 ARG A 31 -4.098 -10.001 15.986 1.00 0.00 N ATOM 0 H ARG A 31 -2.801 -4.627 11.067 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.378 -3.400 13.593 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.275 -5.365 12.617 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.424 -4.866 14.290 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.718 -5.751 14.386 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.656 -6.168 12.685 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.201 -7.963 13.029 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.542 -7.291 14.507 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.345 -7.820 14.869 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.286 -9.557 14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.817 -10.920 15.472 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.000 -9.546 16.129 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.916 -10.914 16.402 1.00 0.00 H new ATOM 483 N CYS A 32 -0.965 -2.213 11.838 1.00 0.00 N ATOM 484 CA CYS A 32 0.013 -1.133 11.765 1.00 0.00 C ATOM 485 C CYS A 32 -0.668 0.222 11.548 1.00 0.00 C ATOM 486 O CYS A 32 -0.042 1.270 11.711 1.00 0.00 O ATOM 487 CB CYS A 32 1.016 -1.406 10.644 1.00 0.00 C ATOM 488 SG CYS A 32 1.984 -2.915 10.874 1.00 0.00 S ATOM 0 H CYS A 32 -1.170 -2.658 10.943 1.00 0.00 H new ATOM 0 HA CYS A 32 0.543 -1.093 12.717 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.479 -1.472 9.698 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.697 -0.558 10.565 1.00 0.00 H new ATOM 0 HG CYS A 32 1.270 -3.945 10.530 1.00 0.00 H new ATOM 494 N SER A 33 -1.944 0.200 11.177 1.00 0.00 N ATOM 495 CA SER A 33 -2.691 1.433 10.958 1.00 0.00 C ATOM 496 C SER A 33 -3.988 1.453 11.776 1.00 0.00 C ATOM 497 O SER A 33 -4.015 1.959 12.901 1.00 0.00 O ATOM 498 CB SER A 33 -2.977 1.612 9.463 1.00 0.00 C ATOM 499 OG SER A 33 -3.551 0.437 8.905 1.00 0.00 O ATOM 0 H SER A 33 -2.480 -0.654 11.022 1.00 0.00 H new ATOM 0 HA SER A 33 -2.083 2.270 11.299 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.653 2.454 9.318 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.052 1.852 8.939 1.00 0.00 H new ATOM 0 HG SER A 33 -2.916 -0.306 8.982 1.00 0.00 H new ATOM 505 N GLY A 34 -5.051 0.878 11.221 1.00 0.00 N ATOM 506 CA GLY A 34 -6.321 0.811 11.922 1.00 0.00 C ATOM 507 C GLY A 34 -7.294 1.881 11.468 1.00 0.00 C ATOM 508 O GLY A 34 -6.998 2.641 10.548 1.00 0.00 O ATOM 0 H GLY A 34 -5.055 0.455 10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.767 -0.171 11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.147 0.914 12.993 1.00 0.00 H new ATOM 512 N PRO A 35 -8.473 1.965 12.100 1.00 0.00 N ATOM 513 CA PRO A 35 -9.493 2.950 11.736 1.00 0.00 C ATOM 514 C PRO A 35 -9.103 4.366 12.151 1.00 0.00 C ATOM 515 O PRO A 35 -8.302 4.557 13.069 1.00 0.00 O ATOM 516 CB PRO A 35 -10.727 2.487 12.511 1.00 0.00 C ATOM 517 CG PRO A 35 -10.184 1.747 13.684 1.00 0.00 C ATOM 518 CD PRO A 35 -8.899 1.111 13.225 1.00 0.00 C ATOM 0 HA PRO A 35 -9.645 3.000 10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -11.337 3.334 12.825 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.362 1.847 11.898 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.006 2.422 14.521 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.890 0.992 14.028 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.154 1.094 14.020 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.053 0.079 12.910 1.00 0.00 H new ATOM 526 N GLY A 36 -9.659 5.354 11.461 1.00 0.00 N ATOM 527 CA GLY A 36 -9.418 6.737 11.824 1.00 0.00 C ATOM 528 C GLY A 36 -8.339 7.391 10.987 1.00 0.00 C ATOM 529 O GLY A 36 -8.173 8.612 11.018 1.00 0.00 O ATOM 0 H GLY A 36 -10.272 5.222 10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.344 7.301 11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.134 6.786 12.875 1.00 0.00 H new ATOM 533 N THR A 37 -7.609 6.589 10.232 1.00 0.00 N ATOM 534 CA THR A 37 -6.538 7.106 9.399 1.00 0.00 C ATOM 535 C THR A 37 -6.797 6.739 7.936 1.00 0.00 C ATOM 536 O THR A 37 -7.911 6.335 7.582 1.00 0.00 O ATOM 537 CB THR A 37 -5.157 6.575 9.869 1.00 0.00 C ATOM 538 OG1 THR A 37 -4.093 7.211 9.142 1.00 0.00 O ATOM 539 CG2 THR A 37 -5.058 5.063 9.702 1.00 0.00 C ATOM 0 H THR A 37 -7.738 5.579 10.179 1.00 0.00 H new ATOM 0 HA THR A 37 -6.518 8.192 9.491 1.00 0.00 H new ATOM 0 HB THR A 37 -5.060 6.814 10.928 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.424 7.551 9.772 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.079 4.723 10.040 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.835 4.580 10.295 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.189 4.804 8.651 1.00 0.00 H new ATOM 547 N ARG A 38 -5.787 6.897 7.094 1.00 0.00 N ATOM 548 CA ARG A 38 -5.908 6.601 5.678 1.00 0.00 C ATOM 549 C ARG A 38 -4.788 5.668 5.219 1.00 0.00 C ATOM 550 O ARG A 38 -3.632 5.831 5.606 1.00 0.00 O ATOM 551 CB ARG A 38 -5.891 7.901 4.870 1.00 0.00 C ATOM 552 CG ARG A 38 -7.115 8.769 5.111 1.00 0.00 C ATOM 553 CD ARG A 38 -7.104 10.028 4.262 1.00 0.00 C ATOM 554 NE ARG A 38 -8.395 10.714 4.315 1.00 0.00 N ATOM 555 CZ ARG A 38 -8.824 11.578 3.400 1.00 0.00 C ATOM 556 NH1 ARG A 38 -8.014 11.981 2.429 1.00 0.00 N ATOM 557 NH2 ARG A 38 -10.059 12.061 3.480 1.00 0.00 N ATOM 0 H ARG A 38 -4.865 7.233 7.373 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.857 6.093 5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.995 8.468 5.124 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.826 7.661 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.015 8.194 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.161 9.044 6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.319 10.698 4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.868 9.771 3.229 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.007 10.516 5.107 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.058 11.628 2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.347 12.644 1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.673 11.769 4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.394 12.724 2.781 1.00 0.00 H new ATOM 571 N VAL A 39 -5.145 4.674 4.420 1.00 0.00 N ATOM 572 CA VAL A 39 -4.174 3.741 3.855 1.00 0.00 C ATOM 573 C VAL A 39 -4.330 3.721 2.341 1.00 0.00 C ATOM 574 O VAL A 39 -5.447 3.771 1.840 1.00 0.00 O ATOM 575 CB VAL A 39 -4.368 2.305 4.394 1.00 0.00 C ATOM 576 CG1 VAL A 39 -3.226 1.403 3.959 1.00 0.00 C ATOM 577 CG2 VAL A 39 -4.507 2.296 5.904 1.00 0.00 C ATOM 0 H VAL A 39 -6.110 4.489 4.144 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.179 4.079 4.144 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.294 1.917 3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.386 0.399 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.186 1.366 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.285 1.797 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.642 1.272 6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.608 2.716 6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.371 2.894 6.193 1.00 0.00 H new ATOM 587 N VAL A 40 -3.227 3.656 1.611 1.00 0.00 N ATOM 588 CA VAL A 40 -3.290 3.688 0.154 1.00 0.00 C ATOM 589 C VAL A 40 -2.866 2.347 -0.450 1.00 0.00 C ATOM 590 O VAL A 40 -1.814 1.801 -0.107 1.00 0.00 O ATOM 591 CB VAL A 40 -2.417 4.825 -0.428 1.00 0.00 C ATOM 592 CG1 VAL A 40 -2.583 4.923 -1.938 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.763 6.156 0.227 1.00 0.00 C ATOM 0 H VAL A 40 -2.286 3.581 1.996 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.329 3.880 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.375 4.590 -0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.958 5.730 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.283 3.982 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.627 5.127 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.138 6.943 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.812 6.389 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.586 6.090 1.301 1.00 0.00 H new ATOM 603 N GLU A 41 -3.706 1.824 -1.336 1.00 0.00 N ATOM 604 CA GLU A 41 -3.419 0.586 -2.052 1.00 0.00 C ATOM 605 C GLU A 41 -3.032 0.907 -3.491 1.00 0.00 C ATOM 606 O GLU A 41 -3.863 1.358 -4.283 1.00 0.00 O ATOM 607 CB GLU A 41 -4.637 -0.347 -2.017 1.00 0.00 C ATOM 608 CG GLU A 41 -4.445 -1.646 -2.790 1.00 0.00 C ATOM 609 CD GLU A 41 -5.614 -2.607 -2.632 1.00 0.00 C ATOM 610 OE1 GLU A 41 -6.698 -2.331 -3.184 1.00 0.00 O ATOM 611 OE2 GLU A 41 -5.453 -3.639 -1.950 1.00 0.00 O ATOM 0 H GLU A 41 -4.603 2.245 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.587 0.076 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.870 -0.585 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.499 0.182 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.309 -1.417 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.532 -2.134 -2.450 1.00 0.00 H new ATOM 618 N VAL A 42 -1.764 0.701 -3.811 1.00 0.00 N ATOM 619 CA VAL A 42 -1.258 0.977 -5.147 1.00 0.00 C ATOM 620 C VAL A 42 -1.296 -0.284 -6.000 1.00 0.00 C ATOM 621 O VAL A 42 -0.580 -1.253 -5.731 1.00 0.00 O ATOM 622 CB VAL A 42 0.186 1.525 -5.107 1.00 0.00 C ATOM 623 CG1 VAL A 42 0.680 1.848 -6.510 1.00 0.00 C ATOM 624 CG2 VAL A 42 0.267 2.758 -4.217 1.00 0.00 C ATOM 0 H VAL A 42 -1.064 0.342 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.903 1.738 -5.587 1.00 0.00 H new ATOM 0 HB VAL A 42 0.830 0.753 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.699 2.232 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.664 0.944 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.031 2.600 -6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.292 3.129 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.394 3.532 -4.607 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.039 2.496 -3.204 1.00 0.00 H new ATOM 634 N GLY A 43 -2.133 -0.268 -7.022 1.00 0.00 N ATOM 635 CA GLY A 43 -2.268 -1.425 -7.879 1.00 0.00 C ATOM 636 C GLY A 43 -3.540 -2.188 -7.588 1.00 0.00 C ATOM 637 O GLY A 43 -3.536 -3.416 -7.529 1.00 0.00 O ATOM 0 H GLY A 43 -2.722 0.525 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.264 -1.108 -8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.409 -2.082 -7.742 1.00 0.00 H new ATOM 641 N ALA A 44 -4.627 -1.451 -7.399 1.00 0.00 N ATOM 642 CA ALA A 44 -5.919 -2.048 -7.110 1.00 0.00 C ATOM 643 C ALA A 44 -6.636 -2.419 -8.408 1.00 0.00 C ATOM 644 O ALA A 44 -6.075 -3.118 -9.256 1.00 0.00 O ATOM 645 CB ALA A 44 -6.758 -1.087 -6.279 1.00 0.00 C ATOM 0 H ALA A 44 -4.636 -0.432 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.770 -2.962 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.726 -1.540 -6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.244 -0.871 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.906 -0.160 -6.833 1.00 0.00 H new ATOM 651 N GLY A 45 -7.872 -1.952 -8.557 1.00 0.00 N ATOM 652 CA GLY A 45 -8.633 -2.203 -9.771 1.00 0.00 C ATOM 653 C GLY A 45 -9.003 -3.661 -9.934 1.00 0.00 C ATOM 654 O GLY A 45 -10.058 -4.097 -9.473 1.00 0.00 O ATOM 0 H GLY A 45 -8.364 -1.400 -7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.541 -1.601 -9.757 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.050 -1.881 -10.634 1.00 0.00 H new ATOM 658 N ARG A 46 -8.136 -4.413 -10.596 1.00 0.00 N ATOM 659 CA ARG A 46 -8.332 -5.846 -10.764 1.00 0.00 C ATOM 660 C ARG A 46 -8.097 -6.557 -9.434 1.00 0.00 C ATOM 661 O ARG A 46 -8.590 -7.663 -9.210 1.00 0.00 O ATOM 662 CB ARG A 46 -7.372 -6.393 -11.823 1.00 0.00 C ATOM 663 CG ARG A 46 -8.041 -7.194 -12.938 1.00 0.00 C ATOM 664 CD ARG A 46 -8.786 -8.411 -12.410 1.00 0.00 C ATOM 665 NE ARG A 46 -10.229 -8.182 -12.316 1.00 0.00 N ATOM 666 CZ ARG A 46 -11.109 -9.098 -11.910 1.00 0.00 C ATOM 667 NH1 ARG A 46 -10.693 -10.286 -11.486 1.00 0.00 N ATOM 668 NH2 ARG A 46 -12.406 -8.821 -11.928 1.00 0.00 N ATOM 0 H ARG A 46 -7.285 -4.052 -11.028 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.355 -6.026 -11.093 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.830 -5.559 -12.268 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.634 -7.027 -11.332 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.737 -6.551 -13.477 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.285 -7.516 -13.654 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.597 -9.262 -13.065 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.397 -8.673 -11.426 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.584 -7.262 -12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.696 -10.501 -11.470 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.370 -10.983 -11.177 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.728 -7.909 -12.252 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.081 -9.520 -11.618 1.00 0.00 H new ATOM 682 N PHE A 47 -7.329 -5.915 -8.558 1.00 0.00 N ATOM 683 CA PHE A 47 -7.051 -6.457 -7.235 1.00 0.00 C ATOM 684 C PHE A 47 -7.756 -5.625 -6.171 1.00 0.00 C ATOM 685 O PHE A 47 -7.390 -4.482 -5.932 1.00 0.00 O ATOM 686 CB PHE A 47 -5.544 -6.471 -6.956 1.00 0.00 C ATOM 687 CG PHE A 47 -4.737 -7.210 -7.983 1.00 0.00 C ATOM 688 CD1 PHE A 47 -4.923 -8.567 -8.187 1.00 0.00 C ATOM 689 CD2 PHE A 47 -3.788 -6.547 -8.742 1.00 0.00 C ATOM 690 CE1 PHE A 47 -4.177 -9.249 -9.128 1.00 0.00 C ATOM 691 CE2 PHE A 47 -3.036 -7.221 -9.684 1.00 0.00 C ATOM 692 CZ PHE A 47 -3.232 -8.576 -9.879 1.00 0.00 C ATOM 0 H PHE A 47 -6.887 -5.015 -8.744 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.422 -7.481 -7.203 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.186 -5.443 -6.900 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.370 -6.923 -5.979 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.660 -9.098 -7.603 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.634 -5.488 -8.595 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.332 -10.307 -9.277 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.297 -6.691 -10.267 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.648 -9.107 -10.616 1.00 0.00 H new ATOM 702 N LEU A 48 -8.782 -6.196 -5.554 1.00 0.00 N ATOM 703 CA LEU A 48 -9.534 -5.501 -4.511 1.00 0.00 C ATOM 704 C LEU A 48 -9.709 -6.384 -3.280 1.00 0.00 C ATOM 705 O LEU A 48 -10.320 -5.974 -2.295 1.00 0.00 O ATOM 706 CB LEU A 48 -10.911 -5.083 -5.038 1.00 0.00 C ATOM 707 CG LEU A 48 -10.901 -4.073 -6.187 1.00 0.00 C ATOM 708 CD1 LEU A 48 -12.317 -3.812 -6.678 1.00 0.00 C ATOM 709 CD2 LEU A 48 -10.244 -2.774 -5.750 1.00 0.00 C ATOM 0 H LEU A 48 -9.115 -7.139 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.968 -4.614 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.440 -5.977 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.483 -4.661 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.321 -4.493 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.292 -3.091 -7.495 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.758 -4.745 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.918 -3.413 -5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.246 -2.068 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.797 -2.350 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.217 -2.971 -5.444 1.00 0.00 H new ATOM 721 N TYR A 49 -9.160 -7.592 -3.334 1.00 0.00 N ATOM 722 CA TYR A 49 -9.358 -8.559 -2.259 1.00 0.00 C ATOM 723 C TYR A 49 -8.645 -8.145 -0.970 1.00 0.00 C ATOM 724 O TYR A 49 -9.068 -8.522 0.122 1.00 0.00 O ATOM 725 CB TYR A 49 -8.929 -9.970 -2.698 1.00 0.00 C ATOM 726 CG TYR A 49 -7.607 -10.044 -3.435 1.00 0.00 C ATOM 727 CD1 TYR A 49 -6.399 -9.937 -2.760 1.00 0.00 C ATOM 728 CD2 TYR A 49 -7.571 -10.248 -4.809 1.00 0.00 C ATOM 729 CE1 TYR A 49 -5.196 -10.027 -3.432 1.00 0.00 C ATOM 730 CE2 TYR A 49 -6.372 -10.336 -5.488 1.00 0.00 C ATOM 731 CZ TYR A 49 -5.186 -10.227 -4.794 1.00 0.00 C ATOM 732 OH TYR A 49 -3.988 -10.325 -5.463 1.00 0.00 O ATOM 0 H TYR A 49 -8.579 -7.924 -4.104 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.426 -8.579 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.870 -10.605 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.707 -10.386 -3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.400 -9.781 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.498 -10.339 -5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.266 -9.941 -2.891 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.363 -10.489 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 49 -4.054 -9.857 -6.322 1.00 0.00 H new ATOM 742 N VAL A 50 -7.570 -7.376 -1.094 1.00 0.00 N ATOM 743 CA VAL A 50 -6.825 -6.924 0.077 1.00 0.00 C ATOM 744 C VAL A 50 -7.568 -5.796 0.789 1.00 0.00 C ATOM 745 O VAL A 50 -7.924 -5.914 1.965 1.00 0.00 O ATOM 746 CB VAL A 50 -5.412 -6.430 -0.298 1.00 0.00 C ATOM 747 CG1 VAL A 50 -4.611 -6.071 0.943 1.00 0.00 C ATOM 748 CG2 VAL A 50 -4.673 -7.469 -1.121 1.00 0.00 C ATOM 0 H VAL A 50 -7.196 -7.054 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.732 -7.783 0.741 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.527 -5.531 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.620 -5.726 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.123 -5.280 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.515 -6.950 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.680 -7.096 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.580 -8.390 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.228 -7.669 -2.038 1.00 0.00 H new ATOM 758 N SER A 51 -7.812 -4.718 0.060 1.00 0.00 N ATOM 759 CA SER A 51 -8.447 -3.534 0.614 1.00 0.00 C ATOM 760 C SER A 51 -9.848 -3.820 1.152 1.00 0.00 C ATOM 761 O SER A 51 -10.212 -3.346 2.234 1.00 0.00 O ATOM 762 CB SER A 51 -8.495 -2.446 -0.453 1.00 0.00 C ATOM 763 OG SER A 51 -8.819 -2.994 -1.721 1.00 0.00 O ATOM 0 H SER A 51 -7.576 -4.640 -0.929 1.00 0.00 H new ATOM 0 HA SER A 51 -7.851 -3.198 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.234 -1.694 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.531 -1.941 -0.506 1.00 0.00 H new ATOM 0 HG SER A 51 -8.151 -2.712 -2.380 1.00 0.00 H new ATOM 769 N ASP A 52 -10.632 -4.600 0.413 1.00 0.00 N ATOM 770 CA ASP A 52 -11.992 -4.917 0.840 1.00 0.00 C ATOM 771 C ASP A 52 -11.980 -5.771 2.102 1.00 0.00 C ATOM 772 O ASP A 52 -12.909 -5.716 2.899 1.00 0.00 O ATOM 773 CB ASP A 52 -12.786 -5.606 -0.272 1.00 0.00 C ATOM 774 CG ASP A 52 -14.218 -5.913 0.141 1.00 0.00 C ATOM 775 OD1 ASP A 52 -14.927 -4.992 0.613 1.00 0.00 O ATOM 776 OD2 ASP A 52 -14.643 -7.078 -0.003 1.00 0.00 O ATOM 0 H ASP A 52 -10.354 -5.020 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.491 -3.975 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.795 -4.969 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.285 -6.533 -0.552 1.00 0.00 H new ATOM 781 N TYR A 53 -10.921 -6.542 2.301 1.00 0.00 N ATOM 782 CA TYR A 53 -10.781 -7.323 3.522 1.00 0.00 C ATOM 783 C TYR A 53 -10.508 -6.404 4.712 1.00 0.00 C ATOM 784 O TYR A 53 -11.079 -6.576 5.790 1.00 0.00 O ATOM 785 CB TYR A 53 -9.660 -8.358 3.380 1.00 0.00 C ATOM 786 CG TYR A 53 -9.397 -9.142 4.647 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.260 -10.150 5.058 1.00 0.00 C ATOM 788 CD2 TYR A 53 -8.286 -8.871 5.433 1.00 0.00 C ATOM 789 CE1 TYR A 53 -10.022 -10.863 6.218 1.00 0.00 C ATOM 790 CE2 TYR A 53 -8.040 -9.580 6.592 1.00 0.00 C ATOM 791 CZ TYR A 53 -8.911 -10.572 6.981 1.00 0.00 C ATOM 792 OH TYR A 53 -8.669 -11.279 8.139 1.00 0.00 O ATOM 0 H TYR A 53 -10.152 -6.644 1.639 1.00 0.00 H new ATOM 0 HA TYR A 53 -11.717 -7.854 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.917 -9.052 2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.743 -7.850 3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.131 -10.380 4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.601 -8.091 5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.702 -11.644 6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.169 -9.357 7.190 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.846 -10.950 8.557 1.00 0.00 H new ATOM 802 N ILE A 54 -9.643 -5.418 4.501 1.00 0.00 N ATOM 803 CA ILE A 54 -9.284 -4.462 5.545 1.00 0.00 C ATOM 804 C ILE A 54 -10.503 -3.665 6.004 1.00 0.00 C ATOM 805 O ILE A 54 -10.724 -3.476 7.205 1.00 0.00 O ATOM 806 CB ILE A 54 -8.192 -3.489 5.046 1.00 0.00 C ATOM 807 CG1 ILE A 54 -6.929 -4.267 4.667 1.00 0.00 C ATOM 808 CG2 ILE A 54 -7.880 -2.440 6.103 1.00 0.00 C ATOM 809 CD1 ILE A 54 -5.827 -3.407 4.088 1.00 0.00 C ATOM 0 H ILE A 54 -9.174 -5.258 3.610 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.897 -5.032 6.390 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.564 -2.973 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.550 -4.778 5.552 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.193 -5.038 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.109 -1.766 5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.782 -1.871 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.526 -2.931 7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.967 -4.032 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.186 -2.916 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.533 -2.653 4.818 1.00 0.00 H new ATOM 821 N ARG A 55 -11.305 -3.226 5.043 1.00 0.00 N ATOM 822 CA ARG A 55 -12.463 -2.390 5.334 1.00 0.00 C ATOM 823 C ARG A 55 -13.551 -3.166 6.080 1.00 0.00 C ATOM 824 O ARG A 55 -14.463 -2.558 6.646 1.00 0.00 O ATOM 825 CB ARG A 55 -13.031 -1.778 4.049 1.00 0.00 C ATOM 826 CG ARG A 55 -13.516 -2.804 3.046 1.00 0.00 C ATOM 827 CD ARG A 55 -14.027 -2.157 1.770 1.00 0.00 C ATOM 828 NE ARG A 55 -15.232 -1.362 1.992 1.00 0.00 N ATOM 829 CZ ARG A 55 -16.446 -1.714 1.571 1.00 0.00 C ATOM 830 NH1 ARG A 55 -16.627 -2.879 0.953 1.00 0.00 N ATOM 831 NH2 ARG A 55 -17.479 -0.903 1.775 1.00 0.00 N ATOM 0 H ARG A 55 -11.175 -3.435 4.053 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.124 -1.585 5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.858 -1.117 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.264 -1.161 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.702 -3.488 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.311 -3.400 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.247 -1.521 1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.237 -2.931 1.032 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.138 -0.483 2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.835 -3.504 0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.557 -3.147 0.631 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -17.342 -0.013 2.253 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.409 -1.171 1.453 1.00 0.00 H new ATOM 845 N LYS A 56 -13.472 -4.498 6.070 1.00 0.00 N ATOM 846 CA LYS A 56 -14.437 -5.316 6.804 1.00 0.00 C ATOM 847 C LYS A 56 -14.299 -5.081 8.303 1.00 0.00 C ATOM 848 O LYS A 56 -15.293 -4.967 9.023 1.00 0.00 O ATOM 849 CB LYS A 56 -14.235 -6.813 6.536 1.00 0.00 C ATOM 850 CG LYS A 56 -14.276 -7.227 5.076 1.00 0.00 C ATOM 851 CD LYS A 56 -15.550 -6.784 4.369 1.00 0.00 C ATOM 852 CE LYS A 56 -15.635 -7.409 2.986 1.00 0.00 C ATOM 853 NZ LYS A 56 -16.658 -6.757 2.130 1.00 0.00 N ATOM 0 H LYS A 56 -12.759 -5.027 5.568 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.428 -5.021 6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.274 -7.113 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.003 -7.368 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.414 -6.804 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.188 -8.311 5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.420 -7.073 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.568 -5.697 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.662 -7.341 2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.869 -8.469 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.032 -7.448 1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.434 -6.403 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.226 -5.963 1.616 1.00 0.00 H new ATOM 867 N HIS A 57 -13.059 -5.005 8.762 1.00 0.00 N ATOM 868 CA HIS A 57 -12.774 -4.901 10.185 1.00 0.00 C ATOM 869 C HIS A 57 -12.616 -3.451 10.617 1.00 0.00 C ATOM 870 O HIS A 57 -13.337 -2.977 11.498 1.00 0.00 O ATOM 871 CB HIS A 57 -11.507 -5.690 10.534 1.00 0.00 C ATOM 872 CG HIS A 57 -11.601 -7.154 10.223 1.00 0.00 C ATOM 873 ND1 HIS A 57 -10.595 -7.815 9.560 1.00 0.00 N ATOM 874 CD2 HIS A 57 -12.591 -8.033 10.512 1.00 0.00 C ATOM 875 CE1 HIS A 57 -10.991 -9.073 9.464 1.00 0.00 C ATOM 876 NE2 HIS A 57 -12.194 -9.252 10.026 1.00 0.00 N ATOM 0 H HIS A 57 -12.231 -5.013 8.167 1.00 0.00 H new ATOM 0 HA HIS A 57 -13.622 -5.325 10.723 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.664 -5.266 9.989 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.294 -5.567 11.596 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.515 -7.815 11.026 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.417 -9.857 8.992 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.715 -10.127 10.082 1.00 0.00 H new ATOM 884 N SER A 58 -11.684 -2.745 9.996 1.00 0.00 N ATOM 885 CA SER A 58 -11.385 -1.381 10.395 1.00 0.00 C ATOM 886 C SER A 58 -11.997 -0.372 9.440 1.00 0.00 C ATOM 887 O SER A 58 -11.861 -0.486 8.219 1.00 0.00 O ATOM 888 CB SER A 58 -9.873 -1.179 10.479 1.00 0.00 C ATOM 889 OG SER A 58 -9.302 -2.026 11.461 1.00 0.00 O ATOM 0 H SER A 58 -11.125 -3.093 9.217 1.00 0.00 H new ATOM 0 HA SER A 58 -11.826 -1.216 11.378 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.421 -1.384 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.654 -0.139 10.719 1.00 0.00 H new ATOM 0 HG SER A 58 -9.342 -2.956 11.154 1.00 0.00 H new ATOM 895 N LYS A 59 -12.688 0.613 9.997 1.00 0.00 N ATOM 896 CA LYS A 59 -13.205 1.711 9.203 1.00 0.00 C ATOM 897 C LYS A 59 -12.090 2.712 8.947 1.00 0.00 C ATOM 898 O LYS A 59 -12.096 3.837 9.447 1.00 0.00 O ATOM 899 CB LYS A 59 -14.398 2.384 9.887 1.00 0.00 C ATOM 900 CG LYS A 59 -15.546 2.748 8.942 1.00 0.00 C ATOM 901 CD LYS A 59 -15.281 4.015 8.128 1.00 0.00 C ATOM 902 CE LYS A 59 -14.368 3.778 6.930 1.00 0.00 C ATOM 903 NZ LYS A 59 -14.911 2.769 5.982 1.00 0.00 N ATOM 0 H LYS A 59 -12.901 0.671 10.993 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.563 1.318 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.779 1.720 10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.052 3.290 10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.723 1.917 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.458 2.883 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.231 4.420 7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.832 4.768 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.216 4.720 6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.391 3.449 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.456 2.884 5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.720 1.813 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.938 2.903 5.883 1.00 0.00 H new ATOM 917 N VAL A 60 -11.108 2.258 8.204 1.00 0.00 N ATOM 918 CA VAL A 60 -10.023 3.103 7.757 1.00 0.00 C ATOM 919 C VAL A 60 -10.317 3.580 6.341 1.00 0.00 C ATOM 920 O VAL A 60 -10.908 2.843 5.545 1.00 0.00 O ATOM 921 CB VAL A 60 -8.675 2.343 7.802 1.00 0.00 C ATOM 922 CG1 VAL A 60 -8.726 1.081 6.954 1.00 0.00 C ATOM 923 CG2 VAL A 60 -7.534 3.237 7.357 1.00 0.00 C ATOM 0 H VAL A 60 -11.038 1.290 7.891 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.941 3.962 8.424 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.497 2.048 8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.765 0.569 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.509 0.422 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.941 1.347 5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.598 2.680 7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.712 3.573 6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.470 4.102 8.018 1.00 0.00 H new ATOM 933 N ASP A 61 -9.952 4.812 6.027 1.00 0.00 N ATOM 934 CA ASP A 61 -10.161 5.325 4.683 1.00 0.00 C ATOM 935 C ASP A 61 -9.120 4.745 3.748 1.00 0.00 C ATOM 936 O ASP A 61 -7.987 5.223 3.678 1.00 0.00 O ATOM 937 CB ASP A 61 -10.124 6.852 4.647 1.00 0.00 C ATOM 938 CG ASP A 61 -11.417 7.470 5.134 1.00 0.00 C ATOM 939 OD1 ASP A 61 -12.477 7.197 4.534 1.00 0.00 O ATOM 940 OD2 ASP A 61 -11.380 8.247 6.108 1.00 0.00 O ATOM 0 H ASP A 61 -9.515 5.468 6.674 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.154 5.019 4.354 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.299 7.208 5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.926 7.184 3.628 1.00 0.00 H new ATOM 945 N LEU A 62 -9.500 3.681 3.065 1.00 0.00 N ATOM 946 CA LEU A 62 -8.604 3.007 2.151 1.00 0.00 C ATOM 947 C LEU A 62 -8.684 3.665 0.785 1.00 0.00 C ATOM 948 O LEU A 62 -9.742 3.694 0.155 1.00 0.00 O ATOM 949 CB LEU A 62 -8.959 1.520 2.051 1.00 0.00 C ATOM 950 CG LEU A 62 -7.766 0.566 1.934 1.00 0.00 C ATOM 951 CD1 LEU A 62 -6.882 0.927 0.750 1.00 0.00 C ATOM 952 CD2 LEU A 62 -6.964 0.566 3.223 1.00 0.00 C ATOM 0 H LEU A 62 -10.429 3.265 3.128 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.584 3.087 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.539 1.242 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.604 1.375 1.185 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.152 -0.439 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.045 0.231 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.464 0.868 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.503 1.941 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.119 -0.116 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.596 1.573 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.600 0.242 4.047 1.00 0.00 H new ATOM 964 N VAL A 63 -7.567 4.206 0.346 1.00 0.00 N ATOM 965 CA VAL A 63 -7.490 4.867 -0.935 1.00 0.00 C ATOM 966 C VAL A 63 -6.919 3.922 -1.977 1.00 0.00 C ATOM 967 O VAL A 63 -5.767 3.504 -1.890 1.00 0.00 O ATOM 968 CB VAL A 63 -6.626 6.139 -0.873 1.00 0.00 C ATOM 969 CG1 VAL A 63 -6.571 6.806 -2.238 1.00 0.00 C ATOM 970 CG2 VAL A 63 -7.163 7.101 0.177 1.00 0.00 C ATOM 0 H VAL A 63 -6.690 4.199 0.867 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.503 5.158 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.613 5.857 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.957 7.704 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.138 6.117 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.579 7.076 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.539 7.994 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.186 7.381 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.150 6.618 1.154 1.00 0.00 H new ATOM 980 N LEU A 64 -7.739 3.583 -2.947 1.00 0.00 N ATOM 981 CA LEU A 64 -7.336 2.685 -4.015 1.00 0.00 C ATOM 982 C LEU A 64 -6.902 3.492 -5.223 1.00 0.00 C ATOM 983 O LEU A 64 -7.662 4.318 -5.712 1.00 0.00 O ATOM 984 CB LEU A 64 -8.505 1.780 -4.405 1.00 0.00 C ATOM 985 CG LEU A 64 -9.224 1.107 -3.238 1.00 0.00 C ATOM 986 CD1 LEU A 64 -10.381 0.255 -3.734 1.00 0.00 C ATOM 987 CD2 LEU A 64 -8.249 0.270 -2.436 1.00 0.00 C ATOM 0 H LEU A 64 -8.700 3.918 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.505 2.071 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.230 2.371 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.136 1.006 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.632 1.883 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.878 -0.214 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.093 0.884 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.003 -0.517 -4.405 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.773 -0.205 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.815 -0.497 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.456 0.909 -2.046 1.00 0.00 H new ATOM 999 N THR A 65 -5.695 3.273 -5.696 1.00 0.00 N ATOM 1000 CA THR A 65 -5.228 3.963 -6.885 1.00 0.00 C ATOM 1001 C THR A 65 -5.149 2.996 -8.060 1.00 0.00 C ATOM 1002 O THR A 65 -4.518 1.937 -7.970 1.00 0.00 O ATOM 1003 CB THR A 65 -3.864 4.649 -6.656 1.00 0.00 C ATOM 1004 OG1 THR A 65 -2.918 3.718 -6.115 1.00 0.00 O ATOM 1005 CG2 THR A 65 -4.012 5.832 -5.710 1.00 0.00 C ATOM 0 H THR A 65 -5.021 2.629 -5.282 1.00 0.00 H new ATOM 0 HA THR A 65 -5.950 4.746 -7.116 1.00 0.00 H new ATOM 0 HB THR A 65 -3.501 5.007 -7.619 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.058 4.168 -5.977 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.040 6.302 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.704 6.557 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.398 5.485 -4.751 1.00 0.00 H new ATOM 1013 N ASP A 66 -5.821 3.349 -9.147 1.00 0.00 N ATOM 1014 CA ASP A 66 -5.894 2.490 -10.319 1.00 0.00 C ATOM 1015 C ASP A 66 -6.185 3.320 -11.562 1.00 0.00 C ATOM 1016 O ASP A 66 -6.900 4.322 -11.495 1.00 0.00 O ATOM 1017 CB ASP A 66 -6.977 1.420 -10.125 1.00 0.00 C ATOM 1018 CG ASP A 66 -7.091 0.474 -11.304 1.00 0.00 C ATOM 1019 OD1 ASP A 66 -6.049 -0.041 -11.765 1.00 0.00 O ATOM 1020 OD2 ASP A 66 -8.223 0.234 -11.773 1.00 0.00 O ATOM 0 H ASP A 66 -6.326 4.230 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.933 1.993 -10.450 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.756 0.846 -9.225 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.938 1.908 -9.963 1.00 0.00 H new ATOM 1025 N ILE A 67 -5.605 2.920 -12.686 1.00 0.00 N ATOM 1026 CA ILE A 67 -5.827 3.612 -13.945 1.00 0.00 C ATOM 1027 C ILE A 67 -7.224 3.309 -14.473 1.00 0.00 C ATOM 1028 O ILE A 67 -7.526 2.166 -14.831 1.00 0.00 O ATOM 1029 CB ILE A 67 -4.783 3.218 -15.013 1.00 0.00 C ATOM 1030 CG1 ILE A 67 -3.363 3.478 -14.503 1.00 0.00 C ATOM 1031 CG2 ILE A 67 -5.031 3.983 -16.309 1.00 0.00 C ATOM 1032 CD1 ILE A 67 -2.283 3.120 -15.503 1.00 0.00 C ATOM 0 H ILE A 67 -4.977 2.119 -12.750 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.726 4.679 -13.748 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.885 2.152 -15.214 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.268 4.532 -14.240 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.204 2.906 -13.589 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.287 3.693 -17.051 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.027 3.749 -16.685 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.957 5.054 -16.119 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.304 3.331 -15.072 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.351 2.060 -15.748 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.416 3.711 -16.409 1.00 0.00 H new ATOM 1044 N LYS A 68 -8.062 4.345 -14.509 1.00 0.00 N ATOM 1045 CA LYS A 68 -9.434 4.236 -14.996 1.00 0.00 C ATOM 1046 C LYS A 68 -10.221 3.223 -14.163 1.00 0.00 C ATOM 1047 O LYS A 68 -10.355 2.058 -14.544 1.00 0.00 O ATOM 1048 CB LYS A 68 -9.446 3.848 -16.479 1.00 0.00 C ATOM 1049 CG LYS A 68 -8.577 4.750 -17.347 1.00 0.00 C ATOM 1050 CD LYS A 68 -8.482 4.245 -18.781 1.00 0.00 C ATOM 1051 CE LYS A 68 -9.671 4.663 -19.635 1.00 0.00 C ATOM 1052 NZ LYS A 68 -10.951 4.069 -19.175 1.00 0.00 N ATOM 0 H LYS A 68 -7.807 5.283 -14.201 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.917 5.208 -14.893 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.103 2.818 -16.580 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.471 3.880 -16.847 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.988 5.760 -17.345 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.577 4.812 -16.918 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.565 4.622 -19.234 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.410 3.157 -18.774 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.756 5.750 -19.623 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.491 4.368 -20.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.599 3.972 -19.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.770 3.132 -18.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.382 4.686 -18.458 1.00 0.00 H new ATOM 1066 N PRO A 69 -10.730 3.657 -13.000 1.00 0.00 N ATOM 1067 CA PRO A 69 -11.422 2.773 -12.059 1.00 0.00 C ATOM 1068 C PRO A 69 -12.790 2.323 -12.560 1.00 0.00 C ATOM 1069 O PRO A 69 -13.555 3.109 -13.121 1.00 0.00 O ATOM 1070 CB PRO A 69 -11.568 3.635 -10.806 1.00 0.00 C ATOM 1071 CG PRO A 69 -11.564 5.038 -11.305 1.00 0.00 C ATOM 1072 CD PRO A 69 -10.669 5.048 -12.513 1.00 0.00 C ATOM 0 HA PRO A 69 -10.870 1.847 -11.899 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -12.492 3.407 -10.275 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.748 3.461 -10.109 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.572 5.362 -11.564 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.195 5.722 -10.541 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.020 5.753 -13.267 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -9.651 5.338 -12.255 1.00 0.00 H new ATOM 1122 N ILE A 74 -12.822 3.680 -6.113 1.00 0.00 N ATOM 1123 CA ILE A 74 -11.416 3.635 -6.465 1.00 0.00 C ATOM 1124 C ILE A 74 -11.011 4.991 -7.031 1.00 0.00 C ATOM 1125 O ILE A 74 -11.777 5.607 -7.770 1.00 0.00 O ATOM 1126 CB ILE A 74 -11.133 2.531 -7.512 1.00 0.00 C ATOM 1127 CG1 ILE A 74 -11.668 1.183 -7.024 1.00 0.00 C ATOM 1128 CG2 ILE A 74 -9.642 2.436 -7.808 1.00 0.00 C ATOM 1129 CD1 ILE A 74 -11.519 0.065 -8.036 1.00 0.00 C ATOM 0 HA ILE A 74 -10.837 3.405 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.648 2.796 -8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -11.145 0.905 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.722 1.292 -6.769 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.467 1.654 -8.546 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.287 3.390 -8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.104 2.197 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -11.920 -0.859 -7.619 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -12.065 0.321 -8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.464 -0.072 -8.274 1.00 0.00 H new ATOM 1141 N VAL A 75 -9.828 5.458 -6.679 1.00 0.00 N ATOM 1142 CA VAL A 75 -9.377 6.772 -7.102 1.00 0.00 C ATOM 1143 C VAL A 75 -8.713 6.696 -8.468 1.00 0.00 C ATOM 1144 O VAL A 75 -7.843 5.855 -8.704 1.00 0.00 O ATOM 1145 CB VAL A 75 -8.398 7.388 -6.079 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -7.927 8.764 -6.528 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -9.049 7.471 -4.707 1.00 0.00 C ATOM 0 H VAL A 75 -9.161 4.947 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.255 7.414 -7.166 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.525 6.739 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.239 9.173 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.418 8.679 -7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.786 9.427 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.347 7.907 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.941 8.095 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.327 6.471 -4.375 1.00 0.00 H new ATOM 1157 N ARG A 76 -9.142 7.577 -9.361 1.00 0.00 N ATOM 1158 CA ARG A 76 -8.611 7.647 -10.719 1.00 0.00 C ATOM 1159 C ARG A 76 -7.221 8.291 -10.747 1.00 0.00 C ATOM 1160 O ARG A 76 -6.944 9.182 -11.552 1.00 0.00 O ATOM 1161 CB ARG A 76 -9.591 8.424 -11.606 1.00 0.00 C ATOM 1162 CG ARG A 76 -10.001 9.774 -11.033 1.00 0.00 C ATOM 1163 CD ARG A 76 -11.099 10.427 -11.859 1.00 0.00 C ATOM 1164 NE ARG A 76 -10.654 10.746 -13.216 1.00 0.00 N ATOM 1165 CZ ARG A 76 -11.476 11.023 -14.227 1.00 0.00 C ATOM 1166 NH1 ARG A 76 -12.790 11.010 -14.044 1.00 0.00 N ATOM 1167 NH2 ARG A 76 -10.975 11.314 -15.422 1.00 0.00 N ATOM 0 H ARG A 76 -9.869 8.265 -9.166 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.501 6.633 -11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -9.137 8.578 -12.585 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.484 7.819 -11.761 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.346 9.644 -10.007 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.133 10.432 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.960 9.760 -11.908 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.430 11.339 -11.363 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.651 10.757 -13.399 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.175 10.787 -13.126 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.415 11.223 -14.821 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.965 11.325 -15.563 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.600 11.527 -16.199 1.00 0.00 H new ATOM 1181 N ASP A 77 -6.344 7.816 -9.883 1.00 0.00 N ATOM 1182 CA ASP A 77 -4.984 8.323 -9.806 1.00 0.00 C ATOM 1183 C ASP A 77 -4.017 7.289 -10.362 1.00 0.00 C ATOM 1184 O ASP A 77 -3.933 6.168 -9.856 1.00 0.00 O ATOM 1185 CB ASP A 77 -4.627 8.661 -8.355 1.00 0.00 C ATOM 1186 CG ASP A 77 -3.281 9.347 -8.221 1.00 0.00 C ATOM 1187 OD1 ASP A 77 -3.227 10.586 -8.397 1.00 0.00 O ATOM 1188 OD2 ASP A 77 -2.283 8.661 -7.927 1.00 0.00 O ATOM 0 H ASP A 77 -6.551 7.072 -9.217 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.909 9.233 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.400 9.305 -7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.622 7.745 -7.765 1.00 0.00 H new ATOM 1193 N ASP A 78 -3.319 7.650 -11.428 1.00 0.00 N ATOM 1194 CA ASP A 78 -2.371 6.741 -12.057 1.00 0.00 C ATOM 1195 C ASP A 78 -0.975 6.940 -11.479 1.00 0.00 C ATOM 1196 O ASP A 78 -0.495 8.061 -11.376 1.00 0.00 O ATOM 1197 CB ASP A 78 -2.363 6.917 -13.586 1.00 0.00 C ATOM 1198 CG ASP A 78 -2.192 8.349 -14.044 1.00 0.00 C ATOM 1199 OD1 ASP A 78 -3.161 9.133 -13.950 1.00 0.00 O ATOM 1200 OD2 ASP A 78 -1.107 8.680 -14.554 1.00 0.00 O ATOM 0 H ASP A 78 -3.390 8.564 -11.875 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.688 5.720 -11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.558 6.314 -14.006 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.297 6.527 -13.990 1.00 0.00 H new ATOM 1205 N ILE A 79 -0.326 5.835 -11.119 1.00 0.00 N ATOM 1206 CA ILE A 79 0.964 5.876 -10.424 1.00 0.00 C ATOM 1207 C ILE A 79 2.063 6.529 -11.278 1.00 0.00 C ATOM 1208 O ILE A 79 3.102 6.953 -10.763 1.00 0.00 O ATOM 1209 CB ILE A 79 1.405 4.453 -9.997 1.00 0.00 C ATOM 1210 CG1 ILE A 79 2.617 4.519 -9.064 1.00 0.00 C ATOM 1211 CG2 ILE A 79 1.718 3.596 -11.216 1.00 0.00 C ATOM 1212 CD1 ILE A 79 2.347 5.260 -7.770 1.00 0.00 C ATOM 0 H ILE A 79 -0.673 4.893 -11.298 1.00 0.00 H new ATOM 0 HA ILE A 79 0.823 6.491 -9.535 1.00 0.00 H new ATOM 0 HB ILE A 79 0.579 3.991 -9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.941 3.505 -8.831 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.441 5.005 -9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.025 2.602 -10.892 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.829 3.515 -11.842 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.524 4.057 -11.788 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.250 5.267 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.052 6.285 -7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.545 4.762 -7.226 1.00 0.00 H new ATOM 1224 N THR A 80 1.831 6.614 -12.580 1.00 0.00 N ATOM 1225 CA THR A 80 2.778 7.262 -13.477 1.00 0.00 C ATOM 1226 C THR A 80 2.660 8.787 -13.378 1.00 0.00 C ATOM 1227 O THR A 80 3.637 9.512 -13.581 1.00 0.00 O ATOM 1228 CB THR A 80 2.585 6.788 -14.939 1.00 0.00 C ATOM 1229 OG1 THR A 80 3.246 7.669 -15.851 1.00 0.00 O ATOM 1230 CG2 THR A 80 1.115 6.681 -15.301 1.00 0.00 C ATOM 0 H THR A 80 0.998 6.244 -13.038 1.00 0.00 H new ATOM 0 HA THR A 80 3.782 6.974 -13.166 1.00 0.00 H new ATOM 0 HB THR A 80 3.030 5.796 -15.018 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.113 7.350 -16.768 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.018 6.346 -16.334 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.629 5.964 -14.640 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.641 7.656 -15.190 1.00 0.00 H new ATOM 1238 N SER A 81 1.474 9.264 -13.024 1.00 0.00 N ATOM 1239 CA SER A 81 1.233 10.688 -12.850 1.00 0.00 C ATOM 1240 C SER A 81 0.320 10.911 -11.644 1.00 0.00 C ATOM 1241 O SER A 81 -0.823 11.344 -11.787 1.00 0.00 O ATOM 1242 CB SER A 81 0.596 11.261 -14.116 1.00 0.00 C ATOM 1243 OG SER A 81 0.506 12.676 -14.067 1.00 0.00 O ATOM 0 H SER A 81 0.657 8.678 -12.851 1.00 0.00 H new ATOM 0 HA SER A 81 2.179 11.199 -12.673 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.184 10.964 -14.985 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.400 10.838 -14.245 1.00 0.00 H new ATOM 0 HG SER A 81 0.095 13.006 -14.893 1.00 0.00 H new ATOM 1249 N PRO A 82 0.815 10.597 -10.437 1.00 0.00 N ATOM 1250 CA PRO A 82 0.000 10.595 -9.231 1.00 0.00 C ATOM 1251 C PRO A 82 -0.021 11.939 -8.511 1.00 0.00 C ATOM 1252 O PRO A 82 0.928 12.727 -8.598 1.00 0.00 O ATOM 1253 CB PRO A 82 0.704 9.545 -8.377 1.00 0.00 C ATOM 1254 CG PRO A 82 2.150 9.674 -8.732 1.00 0.00 C ATOM 1255 CD PRO A 82 2.208 10.209 -10.143 1.00 0.00 C ATOM 0 HA PRO A 82 -1.050 10.392 -9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.540 9.724 -7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.331 8.544 -8.593 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.659 10.348 -8.042 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.652 8.709 -8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 82 2.884 11.061 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.568 9.453 -10.842 1.00 0.00 H new ATOM 1263 N ARG A 83 -1.111 12.200 -7.810 1.00 0.00 N ATOM 1264 CA ARG A 83 -1.218 13.388 -6.983 1.00 0.00 C ATOM 1265 C ARG A 83 -0.794 13.083 -5.558 1.00 0.00 C ATOM 1266 O ARG A 83 -1.444 12.307 -4.857 1.00 0.00 O ATOM 1267 CB ARG A 83 -2.640 13.937 -6.990 1.00 0.00 C ATOM 1268 CG ARG A 83 -3.007 14.639 -8.277 1.00 0.00 C ATOM 1269 CD ARG A 83 -4.348 15.339 -8.155 1.00 0.00 C ATOM 1270 NE ARG A 83 -4.696 16.073 -9.365 1.00 0.00 N ATOM 1271 CZ ARG A 83 -4.906 17.387 -9.407 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -4.740 18.138 -8.318 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -5.274 17.955 -10.546 1.00 0.00 N ATOM 0 H ARG A 83 -1.937 11.602 -7.798 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.553 14.144 -7.401 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.339 13.118 -6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.757 14.633 -6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.236 15.366 -8.531 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.044 13.916 -9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.123 14.602 -7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.322 16.026 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.784 15.547 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.449 17.707 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.904 19.144 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.395 17.386 -11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.437 18.961 -10.585 1.00 0.00 H new ATOM 1287 N MET A 84 0.291 13.712 -5.129 1.00 0.00 N ATOM 1288 CA MET A 84 0.826 13.500 -3.792 1.00 0.00 C ATOM 1289 C MET A 84 -0.178 13.924 -2.727 1.00 0.00 C ATOM 1290 O MET A 84 -0.124 13.449 -1.595 1.00 0.00 O ATOM 1291 CB MET A 84 2.141 14.261 -3.607 1.00 0.00 C ATOM 1292 CG MET A 84 3.268 13.766 -4.503 1.00 0.00 C ATOM 1293 SD MET A 84 3.592 11.999 -4.309 1.00 0.00 S ATOM 1294 CE MET A 84 4.031 11.919 -2.575 1.00 0.00 C ATOM 0 H MET A 84 0.821 14.377 -5.692 1.00 0.00 H new ATOM 0 HA MET A 84 1.020 12.433 -3.678 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.969 15.319 -3.806 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.454 14.179 -2.566 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.016 13.973 -5.543 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.177 14.324 -4.278 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.747 11.112 -2.418 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.477 12.865 -2.269 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.136 11.731 -1.981 1.00 0.00 H new ATOM 1304 N GLU A 85 -1.108 14.801 -3.105 1.00 0.00 N ATOM 1305 CA GLU A 85 -2.148 15.269 -2.189 1.00 0.00 C ATOM 1306 C GLU A 85 -3.036 14.114 -1.727 1.00 0.00 C ATOM 1307 O GLU A 85 -3.694 14.198 -0.691 1.00 0.00 O ATOM 1308 CB GLU A 85 -3.005 16.340 -2.870 1.00 0.00 C ATOM 1309 CG GLU A 85 -3.755 15.833 -4.092 1.00 0.00 C ATOM 1310 CD GLU A 85 -4.464 16.937 -4.839 1.00 0.00 C ATOM 1311 OE1 GLU A 85 -5.602 17.284 -4.459 1.00 0.00 O ATOM 1312 OE2 GLU A 85 -3.887 17.457 -5.817 1.00 0.00 O ATOM 0 H GLU A 85 -1.162 15.202 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.659 15.697 -1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.723 16.731 -2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.365 17.172 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -3.054 15.337 -4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.483 15.084 -3.781 1.00 0.00 H new ATOM 1319 N ILE A 86 -3.049 13.039 -2.506 1.00 0.00 N ATOM 1320 CA ILE A 86 -3.847 11.865 -2.189 1.00 0.00 C ATOM 1321 C ILE A 86 -3.105 10.959 -1.213 1.00 0.00 C ATOM 1322 O ILE A 86 -3.683 10.455 -0.252 1.00 0.00 O ATOM 1323 CB ILE A 86 -4.193 11.075 -3.472 1.00 0.00 C ATOM 1324 CG1 ILE A 86 -5.026 11.946 -4.420 1.00 0.00 C ATOM 1325 CG2 ILE A 86 -4.930 9.785 -3.134 1.00 0.00 C ATOM 1326 CD1 ILE A 86 -5.331 11.288 -5.748 1.00 0.00 C ATOM 0 H ILE A 86 -2.510 12.958 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.772 12.205 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.263 10.806 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.965 12.205 -3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.494 12.880 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.162 9.247 -4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.301 9.162 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.855 10.022 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.923 11.966 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.398 11.054 -6.261 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.892 10.369 -5.578 1.00 0.00 H new ATOM 1338 N TYR A 87 -1.814 10.768 -1.459 1.00 0.00 N ATOM 1339 CA TYR A 87 -0.996 9.890 -0.629 1.00 0.00 C ATOM 1340 C TYR A 87 -0.646 10.565 0.695 1.00 0.00 C ATOM 1341 O TYR A 87 -0.486 9.901 1.721 1.00 0.00 O ATOM 1342 CB TYR A 87 0.281 9.487 -1.378 1.00 0.00 C ATOM 1343 CG TYR A 87 0.010 8.806 -2.704 1.00 0.00 C ATOM 1344 CD1 TYR A 87 -0.228 9.548 -3.855 1.00 0.00 C ATOM 1345 CD2 TYR A 87 -0.024 7.421 -2.801 1.00 0.00 C ATOM 1346 CE1 TYR A 87 -0.496 8.930 -5.062 1.00 0.00 C ATOM 1347 CE2 TYR A 87 -0.285 6.794 -4.007 1.00 0.00 C ATOM 1348 CZ TYR A 87 -0.524 7.553 -5.134 1.00 0.00 C ATOM 1349 OH TYR A 87 -0.792 6.933 -6.333 1.00 0.00 O ATOM 0 H TYR A 87 -1.310 11.210 -2.228 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.572 8.991 -0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.888 10.376 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.868 8.819 -0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.203 10.627 -3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.156 6.823 -1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.683 9.523 -5.945 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.301 5.716 -4.066 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.318 7.534 -6.901 1.00 0.00 H new ATOM 1359 N ARG A 88 -0.518 11.885 0.660 1.00 0.00 N ATOM 1360 CA ARG A 88 -0.234 12.661 1.861 1.00 0.00 C ATOM 1361 C ARG A 88 -1.410 12.607 2.824 1.00 0.00 C ATOM 1362 O ARG A 88 -2.523 13.021 2.491 1.00 0.00 O ATOM 1363 CB ARG A 88 0.099 14.110 1.497 1.00 0.00 C ATOM 1364 CG ARG A 88 1.527 14.292 1.009 1.00 0.00 C ATOM 1365 CD ARG A 88 1.723 15.622 0.302 1.00 0.00 C ATOM 1366 NE ARG A 88 1.165 16.745 1.051 1.00 0.00 N ATOM 1367 CZ ARG A 88 1.894 17.663 1.681 1.00 0.00 C ATOM 1368 NH1 ARG A 88 3.218 17.558 1.740 1.00 0.00 N ATOM 1369 NH2 ARG A 88 1.285 18.681 2.270 1.00 0.00 N ATOM 0 H ARG A 88 -0.607 12.442 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 88 0.633 12.223 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.589 14.451 0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.064 14.743 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.210 14.228 1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.784 13.479 0.330 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.788 15.790 0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.256 15.578 -0.682 1.00 0.00 H new ATOM 0 HE ARG A 88 0.150 16.831 1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.687 16.767 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.765 18.269 2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.268 18.755 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.833 19.391 2.756 1.00 0.00 H new ATOM 1383 N GLY A 89 -1.154 12.093 4.014 1.00 0.00 N ATOM 1384 CA GLY A 89 -2.209 11.902 4.988 1.00 0.00 C ATOM 1385 C GLY A 89 -2.429 10.436 5.288 1.00 0.00 C ATOM 1386 O GLY A 89 -3.171 10.080 6.208 1.00 0.00 O ATOM 0 H GLY A 89 -0.228 11.802 4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.956 12.429 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.134 12.341 4.614 1.00 0.00 H new ATOM 1390 N ALA A 90 -1.778 9.584 4.507 1.00 0.00 N ATOM 1391 CA ALA A 90 -1.880 8.147 4.688 1.00 0.00 C ATOM 1392 C ALA A 90 -0.817 7.652 5.657 1.00 0.00 C ATOM 1393 O ALA A 90 0.323 8.118 5.637 1.00 0.00 O ATOM 1394 CB ALA A 90 -1.756 7.431 3.353 1.00 0.00 C ATOM 0 H ALA A 90 -1.171 9.868 3.738 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.860 7.924 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.835 6.355 3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.554 7.761 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.790 7.663 2.904 1.00 0.00 H new ATOM 1400 N ALA A 91 -1.193 6.707 6.502 1.00 0.00 N ATOM 1401 CA ALA A 91 -0.281 6.163 7.495 1.00 0.00 C ATOM 1402 C ALA A 91 0.511 4.994 6.925 1.00 0.00 C ATOM 1403 O ALA A 91 1.594 4.662 7.413 1.00 0.00 O ATOM 1404 CB ALA A 91 -1.052 5.725 8.729 1.00 0.00 C ATOM 0 H ALA A 91 -2.128 6.299 6.520 1.00 0.00 H new ATOM 0 HA ALA A 91 0.424 6.945 7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.359 5.319 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.574 6.582 9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.777 4.959 8.452 1.00 0.00 H new ATOM 1410 N LEU A 92 -0.026 4.378 5.881 1.00 0.00 N ATOM 1411 CA LEU A 92 0.597 3.207 5.292 1.00 0.00 C ATOM 1412 C LEU A 92 0.253 3.115 3.809 1.00 0.00 C ATOM 1413 O LEU A 92 -0.858 3.453 3.395 1.00 0.00 O ATOM 1414 CB LEU A 92 0.139 1.953 6.048 1.00 0.00 C ATOM 1415 CG LEU A 92 1.093 0.762 5.991 1.00 0.00 C ATOM 1416 CD1 LEU A 92 0.878 -0.139 7.197 1.00 0.00 C ATOM 1417 CD2 LEU A 92 0.901 -0.032 4.707 1.00 0.00 C ATOM 0 H LEU A 92 -0.891 4.671 5.427 1.00 0.00 H new ATOM 0 HA LEU A 92 1.681 3.288 5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.020 2.219 7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.826 1.642 5.648 1.00 0.00 H new ATOM 0 HG LEU A 92 2.114 1.144 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.563 -0.985 7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.065 0.425 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.149 -0.504 7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.593 -0.874 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.123 -0.403 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.095 0.611 3.849 1.00 0.00 H new ATOM 1429 N ILE A 93 1.224 2.692 3.013 1.00 0.00 N ATOM 1430 CA ILE A 93 1.042 2.535 1.579 1.00 0.00 C ATOM 1431 C ILE A 93 1.581 1.179 1.138 1.00 0.00 C ATOM 1432 O ILE A 93 2.745 0.861 1.377 1.00 0.00 O ATOM 1433 CB ILE A 93 1.771 3.647 0.789 1.00 0.00 C ATOM 1434 CG1 ILE A 93 1.306 5.032 1.256 1.00 0.00 C ATOM 1435 CG2 ILE A 93 1.535 3.478 -0.706 1.00 0.00 C ATOM 1436 CD1 ILE A 93 2.059 6.179 0.612 1.00 0.00 C ATOM 0 H ILE A 93 2.158 2.449 3.343 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.025 2.605 1.370 1.00 0.00 H new ATOM 0 HB ILE A 93 2.841 3.563 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.243 5.140 1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.419 5.097 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.055 4.268 -1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.914 2.508 -1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.467 3.537 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.674 7.126 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.120 6.097 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.925 6.141 -0.469 1.00 0.00 H new ATOM 1448 N TYR A 94 0.744 0.372 0.509 1.00 0.00 N ATOM 1449 CA TYR A 94 1.189 -0.920 0.015 1.00 0.00 C ATOM 1450 C TYR A 94 0.893 -1.050 -1.469 1.00 0.00 C ATOM 1451 O TYR A 94 -0.045 -0.441 -1.980 1.00 0.00 O ATOM 1452 CB TYR A 94 0.561 -2.079 0.808 1.00 0.00 C ATOM 1453 CG TYR A 94 -0.955 -2.087 0.859 1.00 0.00 C ATOM 1454 CD1 TYR A 94 -1.642 -1.237 1.715 1.00 0.00 C ATOM 1455 CD2 TYR A 94 -1.697 -2.961 0.069 1.00 0.00 C ATOM 1456 CE1 TYR A 94 -3.020 -1.252 1.781 1.00 0.00 C ATOM 1457 CE2 TYR A 94 -3.076 -2.982 0.137 1.00 0.00 C ATOM 1458 CZ TYR A 94 -3.732 -2.126 0.994 1.00 0.00 C ATOM 1459 OH TYR A 94 -5.105 -2.144 1.066 1.00 0.00 O ATOM 0 H TYR A 94 -0.237 0.585 0.329 1.00 0.00 H new ATOM 0 HA TYR A 94 2.268 -0.980 0.159 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.898 -3.019 0.372 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.942 -2.047 1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.088 -0.552 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.187 -3.632 -0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.538 -0.579 2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.638 -3.667 -0.480 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.456 -2.817 0.446 1.00 0.00 H new ATOM 1469 N SER A 95 1.712 -1.827 -2.156 1.00 0.00 N ATOM 1470 CA SER A 95 1.570 -2.008 -3.589 1.00 0.00 C ATOM 1471 C SER A 95 1.616 -3.487 -3.952 1.00 0.00 C ATOM 1472 O SER A 95 2.384 -4.262 -3.376 1.00 0.00 O ATOM 1473 CB SER A 95 2.665 -1.233 -4.327 1.00 0.00 C ATOM 1474 OG SER A 95 3.935 -1.467 -3.745 1.00 0.00 O ATOM 0 H SER A 95 2.486 -2.345 -1.741 1.00 0.00 H new ATOM 0 HA SER A 95 0.600 -1.617 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.682 -1.530 -5.376 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.441 -0.167 -4.301 1.00 0.00 H new ATOM 0 HG SER A 95 4.608 -1.556 -4.452 1.00 0.00 H new ATOM 1480 N ILE A 96 0.777 -3.876 -4.897 1.00 0.00 N ATOM 1481 CA ILE A 96 0.676 -5.268 -5.304 1.00 0.00 C ATOM 1482 C ILE A 96 1.492 -5.523 -6.573 1.00 0.00 C ATOM 1483 O ILE A 96 1.007 -5.357 -7.692 1.00 0.00 O ATOM 1484 CB ILE A 96 -0.808 -5.668 -5.484 1.00 0.00 C ATOM 1485 CG1 ILE A 96 -1.538 -5.467 -4.147 1.00 0.00 C ATOM 1486 CG2 ILE A 96 -0.936 -7.109 -5.967 1.00 0.00 C ATOM 1487 CD1 ILE A 96 -3.031 -5.695 -4.200 1.00 0.00 C ATOM 0 H ILE A 96 0.153 -3.244 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 96 1.096 -5.896 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.263 -5.036 -6.246 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.107 -6.143 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.352 -4.452 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.990 -7.361 -6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -0.428 -7.218 -6.925 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.482 -7.779 -5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.460 -5.530 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.480 -5.001 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.232 -6.719 -4.517 1.00 0.00 H new ATOM 1499 N ARG A 97 2.757 -5.888 -6.349 1.00 0.00 N ATOM 1500 CA ARG A 97 3.745 -6.146 -7.405 1.00 0.00 C ATOM 1501 C ARG A 97 3.914 -4.944 -8.338 1.00 0.00 C ATOM 1502 O ARG A 97 3.148 -4.761 -9.286 1.00 0.00 O ATOM 1503 CB ARG A 97 3.399 -7.397 -8.218 1.00 0.00 C ATOM 1504 CG ARG A 97 4.591 -7.938 -8.997 1.00 0.00 C ATOM 1505 CD ARG A 97 4.193 -9.056 -9.947 1.00 0.00 C ATOM 1506 NE ARG A 97 5.358 -9.771 -10.476 1.00 0.00 N ATOM 1507 CZ ARG A 97 5.935 -9.511 -11.651 1.00 0.00 C ATOM 1508 NH1 ARG A 97 5.516 -8.500 -12.405 1.00 0.00 N ATOM 1509 NH2 ARG A 97 6.950 -10.258 -12.062 1.00 0.00 N ATOM 0 H ARG A 97 3.133 -6.016 -5.409 1.00 0.00 H new ATOM 0 HA ARG A 97 4.694 -6.319 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.027 -8.171 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.592 -7.163 -8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.051 -7.128 -9.563 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.343 -8.306 -8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.542 -9.759 -9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 97 3.617 -8.641 -10.774 1.00 0.00 H new ATOM 0 HE ARG A 97 5.755 -10.519 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.745 -7.912 -12.088 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.965 -8.312 -13.301 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.286 -11.026 -11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.395 -10.064 -12.959 1.00 0.00 H new ATOM 1523 N PRO A 98 4.922 -4.103 -8.074 1.00 0.00 N ATOM 1524 CA PRO A 98 5.222 -2.950 -8.910 1.00 0.00 C ATOM 1525 C PRO A 98 6.190 -3.283 -10.045 1.00 0.00 C ATOM 1526 O PRO A 98 7.166 -4.009 -9.846 1.00 0.00 O ATOM 1527 CB PRO A 98 5.868 -1.987 -7.920 1.00 0.00 C ATOM 1528 CG PRO A 98 6.544 -2.858 -6.909 1.00 0.00 C ATOM 1529 CD PRO A 98 5.845 -4.198 -6.931 1.00 0.00 C ATOM 0 HA PRO A 98 4.337 -2.556 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.584 -1.333 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 98 5.122 -1.345 -7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 98 7.602 -2.972 -7.146 1.00 0.00 H new ATOM 0 HG3 PRO A 98 6.486 -2.411 -5.917 1.00 0.00 H new ATOM 0 HD2 PRO A 98 6.554 -5.016 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 98 5.309 -4.383 -6.000 1.00 0.00 H new ATOM 1537 N PRO A 99 5.919 -2.773 -11.259 1.00 0.00 N ATOM 1538 CA PRO A 99 6.816 -2.937 -12.408 1.00 0.00 C ATOM 1539 C PRO A 99 8.238 -2.470 -12.098 1.00 0.00 C ATOM 1540 O PRO A 99 8.449 -1.619 -11.227 1.00 0.00 O ATOM 1541 CB PRO A 99 6.188 -2.052 -13.486 1.00 0.00 C ATOM 1542 CG PRO A 99 4.751 -1.954 -13.112 1.00 0.00 C ATOM 1543 CD PRO A 99 4.702 -2.018 -11.611 1.00 0.00 C ATOM 0 HA PRO A 99 6.912 -3.982 -12.703 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.657 -1.069 -13.512 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.309 -2.490 -14.477 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.317 -1.023 -13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.177 -2.768 -13.555 1.00 0.00 H new ATOM 0 HD2 PRO A 99 4.704 -1.023 -11.166 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.801 -2.522 -11.260 1.00 0.00 H new ATOM 1551 N ALA A 100 9.202 -2.994 -12.846 1.00 0.00 N ATOM 1552 CA ALA A 100 10.620 -2.765 -12.566 1.00 0.00 C ATOM 1553 C ALA A 100 11.082 -1.363 -12.978 1.00 0.00 C ATOM 1554 O ALA A 100 12.255 -1.157 -13.296 1.00 0.00 O ATOM 1555 CB ALA A 100 11.458 -3.820 -13.272 1.00 0.00 C ATOM 0 H ALA A 100 9.028 -3.586 -13.658 1.00 0.00 H new ATOM 0 HA ALA A 100 10.756 -2.841 -11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.513 -3.647 -13.062 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.174 -4.810 -12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.288 -3.760 -14.347 1.00 0.00 H new ATOM 1561 N GLU A 101 10.176 -0.398 -12.938 1.00 0.00 N ATOM 1562 CA GLU A 101 10.499 0.960 -13.341 1.00 0.00 C ATOM 1563 C GLU A 101 10.067 1.986 -12.291 1.00 0.00 C ATOM 1564 O GLU A 101 10.632 3.077 -12.219 1.00 0.00 O ATOM 1565 CB GLU A 101 9.838 1.273 -14.685 1.00 0.00 C ATOM 1566 CG GLU A 101 8.321 1.166 -14.668 1.00 0.00 C ATOM 1567 CD GLU A 101 7.712 1.381 -16.038 1.00 0.00 C ATOM 1568 OE1 GLU A 101 7.410 2.541 -16.385 1.00 0.00 O ATOM 1569 OE2 GLU A 101 7.529 0.389 -16.775 1.00 0.00 O ATOM 0 H GLU A 101 9.212 -0.531 -12.631 1.00 0.00 H new ATOM 0 HA GLU A 101 11.582 1.029 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.117 2.282 -14.990 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.232 0.592 -15.439 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.033 0.183 -14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.915 1.902 -13.973 1.00 0.00 H new ATOM 1576 N ILE A 102 9.088 1.633 -11.462 1.00 0.00 N ATOM 1577 CA ILE A 102 8.504 2.595 -10.529 1.00 0.00 C ATOM 1578 C ILE A 102 8.932 2.343 -9.091 1.00 0.00 C ATOM 1579 O ILE A 102 8.340 2.887 -8.155 1.00 0.00 O ATOM 1580 CB ILE A 102 6.970 2.594 -10.583 1.00 0.00 C ATOM 1581 CG1 ILE A 102 6.412 1.195 -10.317 1.00 0.00 C ATOM 1582 CG2 ILE A 102 6.484 3.125 -11.925 1.00 0.00 C ATOM 1583 CD1 ILE A 102 4.905 1.167 -10.173 1.00 0.00 C ATOM 0 H ILE A 102 8.685 0.697 -11.416 1.00 0.00 H new ATOM 0 HA ILE A 102 8.880 3.567 -10.849 1.00 0.00 H new ATOM 0 HB ILE A 102 6.602 3.254 -9.798 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.704 0.534 -11.133 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.864 0.798 -9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.394 3.117 -11.946 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.843 4.145 -12.064 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.867 2.493 -12.727 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.576 0.145 -9.986 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.607 1.802 -9.339 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.445 1.534 -11.091 1.00 0.00 H new ATOM 1595 N HIS A 103 9.959 1.527 -8.924 1.00 0.00 N ATOM 1596 CA HIS A 103 10.508 1.232 -7.598 1.00 0.00 C ATOM 1597 C HIS A 103 10.855 2.523 -6.870 1.00 0.00 C ATOM 1598 O HIS A 103 10.395 2.771 -5.755 1.00 0.00 O ATOM 1599 CB HIS A 103 11.774 0.383 -7.707 1.00 0.00 C ATOM 1600 CG HIS A 103 11.584 -0.927 -8.397 1.00 0.00 C ATOM 1601 ND1 HIS A 103 12.517 -1.397 -9.285 1.00 0.00 N ATOM 1602 CD2 HIS A 103 10.579 -1.828 -8.290 1.00 0.00 C ATOM 1603 CE1 HIS A 103 12.064 -2.568 -9.694 1.00 0.00 C ATOM 1604 NE2 HIS A 103 10.892 -2.872 -9.120 1.00 0.00 N ATOM 0 H HIS A 103 10.436 1.052 -9.690 1.00 0.00 H new ATOM 0 HA HIS A 103 9.748 0.682 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 103 12.534 0.954 -8.241 1.00 0.00 H new ATOM 0 HB3 HIS A 103 12.160 0.198 -6.704 1.00 0.00 H new ATOM 0 HD2 HIS A 103 9.699 -1.740 -7.669 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.575 -3.202 -10.403 1.00 0.00 H new ATOM 0 HE2 HIS A 103 10.340 -3.716 -9.272 1.00 0.00 H new ATOM 1612 N SER A 104 11.658 3.349 -7.531 1.00 0.00 N ATOM 1613 CA SER A 104 12.125 4.601 -6.959 1.00 0.00 C ATOM 1614 C SER A 104 10.953 5.511 -6.615 1.00 0.00 C ATOM 1615 O SER A 104 10.983 6.217 -5.609 1.00 0.00 O ATOM 1616 CB SER A 104 13.065 5.297 -7.945 1.00 0.00 C ATOM 1617 OG SER A 104 14.034 4.388 -8.441 1.00 0.00 O ATOM 0 H SER A 104 12.001 3.168 -8.474 1.00 0.00 H new ATOM 0 HA SER A 104 12.665 4.384 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.490 5.711 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 104 13.562 6.133 -7.453 1.00 0.00 H new ATOM 0 HG SER A 104 14.625 4.851 -9.071 1.00 0.00 H new ATOM 1623 N SER A 105 9.905 5.452 -7.431 1.00 0.00 N ATOM 1624 CA SER A 105 8.742 6.303 -7.250 1.00 0.00 C ATOM 1625 C SER A 105 8.063 5.989 -5.928 1.00 0.00 C ATOM 1626 O SER A 105 7.912 6.858 -5.077 1.00 0.00 O ATOM 1627 CB SER A 105 7.760 6.100 -8.401 1.00 0.00 C ATOM 1628 OG SER A 105 8.408 6.257 -9.651 1.00 0.00 O ATOM 0 H SER A 105 9.841 4.818 -8.228 1.00 0.00 H new ATOM 0 HA SER A 105 9.067 7.343 -7.241 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.319 5.105 -8.337 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.943 6.816 -8.318 1.00 0.00 H new ATOM 0 HG SER A 105 7.761 6.121 -10.374 1.00 0.00 H new ATOM 1634 N LEU A 106 7.700 4.726 -5.755 1.00 0.00 N ATOM 1635 CA LEU A 106 7.017 4.275 -4.552 1.00 0.00 C ATOM 1636 C LEU A 106 7.830 4.603 -3.304 1.00 0.00 C ATOM 1637 O LEU A 106 7.283 5.045 -2.291 1.00 0.00 O ATOM 1638 CB LEU A 106 6.767 2.772 -4.641 1.00 0.00 C ATOM 1639 CG LEU A 106 5.729 2.344 -5.681 1.00 0.00 C ATOM 1640 CD1 LEU A 106 5.583 0.831 -5.689 1.00 0.00 C ATOM 1641 CD2 LEU A 106 4.390 3.008 -5.400 1.00 0.00 C ATOM 0 H LEU A 106 7.869 3.990 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 106 6.064 4.798 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.711 2.276 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.446 2.415 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 106 6.071 2.664 -6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.841 0.541 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.542 0.374 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.261 0.491 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.663 2.693 -6.149 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.040 2.717 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.506 4.091 -5.440 1.00 0.00 H new ATOM 1653 N MET A 107 9.140 4.406 -3.397 1.00 0.00 N ATOM 1654 CA MET A 107 10.041 4.676 -2.282 1.00 0.00 C ATOM 1655 C MET A 107 10.010 6.153 -1.894 1.00 0.00 C ATOM 1656 O MET A 107 9.896 6.487 -0.714 1.00 0.00 O ATOM 1657 CB MET A 107 11.474 4.253 -2.631 1.00 0.00 C ATOM 1658 CG MET A 107 11.630 2.759 -2.874 1.00 0.00 C ATOM 1659 SD MET A 107 11.344 1.769 -1.394 1.00 0.00 S ATOM 1660 CE MET A 107 12.732 2.266 -0.378 1.00 0.00 C ATOM 0 H MET A 107 9.604 4.059 -4.237 1.00 0.00 H new ATOM 0 HA MET A 107 9.699 4.091 -1.429 1.00 0.00 H new ATOM 0 HB2 MET A 107 11.796 4.792 -3.522 1.00 0.00 H new ATOM 0 HB3 MET A 107 12.139 4.551 -1.820 1.00 0.00 H new ATOM 0 HG2 MET A 107 10.933 2.449 -3.652 1.00 0.00 H new ATOM 0 HG3 MET A 107 12.634 2.561 -3.248 1.00 0.00 H new ATOM 0 HE1 MET A 107 12.884 1.533 0.414 1.00 0.00 H new ATOM 0 HE2 MET A 107 13.630 2.327 -0.993 1.00 0.00 H new ATOM 0 HE3 MET A 107 12.529 3.241 0.064 1.00 0.00 H new ATOM 1670 N ARG A 108 10.097 7.041 -2.881 1.00 0.00 N ATOM 1671 CA ARG A 108 10.110 8.472 -2.596 1.00 0.00 C ATOM 1672 C ARG A 108 8.717 8.998 -2.269 1.00 0.00 C ATOM 1673 O ARG A 108 8.587 10.027 -1.614 1.00 0.00 O ATOM 1674 CB ARG A 108 10.753 9.270 -3.730 1.00 0.00 C ATOM 1675 CG ARG A 108 10.128 9.070 -5.093 1.00 0.00 C ATOM 1676 CD ARG A 108 10.986 9.715 -6.161 1.00 0.00 C ATOM 1677 NE ARG A 108 12.369 9.235 -6.104 1.00 0.00 N ATOM 1678 CZ ARG A 108 13.147 9.033 -7.166 1.00 0.00 C ATOM 1679 NH1 ARG A 108 12.668 9.191 -8.395 1.00 0.00 N ATOM 1680 NH2 ARG A 108 14.402 8.640 -6.990 1.00 0.00 N ATOM 0 H ARG A 108 10.159 6.800 -3.870 1.00 0.00 H new ATOM 0 HA ARG A 108 10.727 8.612 -1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.707 10.330 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 108 11.808 9.002 -3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 108 10.018 8.005 -5.298 1.00 0.00 H new ATOM 0 HG3 ARG A 108 9.128 9.502 -5.109 1.00 0.00 H new ATOM 0 HD2 ARG A 108 10.566 9.501 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 108 10.971 10.798 -6.036 1.00 0.00 H new ATOM 0 HE ARG A 108 12.765 9.041 -5.184 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.696 9.469 -8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 108 13.272 9.034 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.764 8.495 -6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 108 15.005 8.483 -7.797 1.00 0.00 H new ATOM 1694 N VAL A 109 7.678 8.293 -2.706 1.00 0.00 N ATOM 1695 CA VAL A 109 6.314 8.652 -2.325 1.00 0.00 C ATOM 1696 C VAL A 109 6.106 8.392 -0.838 1.00 0.00 C ATOM 1697 O VAL A 109 5.620 9.258 -0.110 1.00 0.00 O ATOM 1698 CB VAL A 109 5.244 7.879 -3.129 1.00 0.00 C ATOM 1699 CG1 VAL A 109 3.855 8.158 -2.574 1.00 0.00 C ATOM 1700 CG2 VAL A 109 5.302 8.247 -4.604 1.00 0.00 C ATOM 0 H VAL A 109 7.751 7.479 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 109 6.193 9.712 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 109 5.454 6.814 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.114 7.606 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.810 7.843 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.644 9.225 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 109 4.539 7.690 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 109 5.122 9.316 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.286 7.999 -5.002 1.00 0.00 H new ATOM 1710 N ALA A 110 6.498 7.200 -0.390 1.00 0.00 N ATOM 1711 CA ALA A 110 6.392 6.850 1.021 1.00 0.00 C ATOM 1712 C ALA A 110 7.240 7.796 1.858 1.00 0.00 C ATOM 1713 O ALA A 110 6.856 8.188 2.959 1.00 0.00 O ATOM 1714 CB ALA A 110 6.827 5.411 1.250 1.00 0.00 C ATOM 0 H ALA A 110 6.889 6.466 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 110 5.350 6.946 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.741 5.169 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.190 4.742 0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.863 5.289 0.933 1.00 0.00 H new ATOM 1720 N ASP A 111 8.390 8.160 1.306 1.00 0.00 N ATOM 1721 CA ASP A 111 9.312 9.097 1.943 1.00 0.00 C ATOM 1722 C ASP A 111 8.694 10.491 2.037 1.00 0.00 C ATOM 1723 O ASP A 111 8.824 11.178 3.050 1.00 0.00 O ATOM 1724 CB ASP A 111 10.607 9.148 1.128 1.00 0.00 C ATOM 1725 CG ASP A 111 11.653 10.084 1.700 1.00 0.00 C ATOM 1726 OD1 ASP A 111 11.564 11.304 1.453 1.00 0.00 O ATOM 1727 OD2 ASP A 111 12.595 9.597 2.360 1.00 0.00 O ATOM 0 H ASP A 111 8.712 7.814 0.402 1.00 0.00 H new ATOM 0 HA ASP A 111 9.524 8.757 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.026 8.144 1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 111 10.373 9.459 0.110 1.00 0.00 H new ATOM 1732 N ALA A 112 8.008 10.892 0.975 1.00 0.00 N ATOM 1733 CA ALA A 112 7.415 12.222 0.889 1.00 0.00 C ATOM 1734 C ALA A 112 6.243 12.388 1.851 1.00 0.00 C ATOM 1735 O ALA A 112 6.111 13.425 2.503 1.00 0.00 O ATOM 1736 CB ALA A 112 6.960 12.505 -0.533 1.00 0.00 C ATOM 0 H ALA A 112 7.847 10.310 0.153 1.00 0.00 H new ATOM 0 HA ALA A 112 8.184 12.939 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.519 13.501 -0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 112 7.816 12.453 -1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.218 11.765 -0.832 1.00 0.00 H new ATOM 1742 N VAL A 113 5.389 11.376 1.927 1.00 0.00 N ATOM 1743 CA VAL A 113 4.182 11.465 2.741 1.00 0.00 C ATOM 1744 C VAL A 113 4.446 11.047 4.183 1.00 0.00 C ATOM 1745 O VAL A 113 3.739 11.467 5.099 1.00 0.00 O ATOM 1746 CB VAL A 113 3.037 10.611 2.155 1.00 0.00 C ATOM 1747 CG1 VAL A 113 2.753 11.022 0.722 1.00 0.00 C ATOM 1748 CG2 VAL A 113 3.350 9.124 2.231 1.00 0.00 C ATOM 0 H VAL A 113 5.507 10.488 1.438 1.00 0.00 H new ATOM 0 HA VAL A 113 3.877 12.511 2.731 1.00 0.00 H new ATOM 0 HB VAL A 113 2.147 10.791 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.944 10.411 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.462 12.072 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 113 3.649 10.878 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.521 8.556 1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.258 8.914 1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.495 8.835 3.272 1.00 0.00 H new ATOM 1758 N GLY A 114 5.463 10.222 4.377 1.00 0.00 N ATOM 1759 CA GLY A 114 5.801 9.764 5.707 1.00 0.00 C ATOM 1760 C GLY A 114 4.942 8.598 6.146 1.00 0.00 C ATOM 1761 O GLY A 114 4.228 8.679 7.147 1.00 0.00 O ATOM 0 H GLY A 114 6.062 9.861 3.634 1.00 0.00 H new ATOM 0 HA2 GLY A 114 6.850 9.470 5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.683 10.586 6.413 1.00 0.00 H new ATOM 1765 N ALA A 115 5.006 7.512 5.394 1.00 0.00 N ATOM 1766 CA ALA A 115 4.230 6.324 5.705 1.00 0.00 C ATOM 1767 C ALA A 115 5.088 5.080 5.569 1.00 0.00 C ATOM 1768 O ALA A 115 6.241 5.151 5.137 1.00 0.00 O ATOM 1769 CB ALA A 115 3.023 6.223 4.790 1.00 0.00 C ATOM 0 H ALA A 115 5.589 7.429 4.561 1.00 0.00 H new ATOM 0 HA ALA A 115 3.884 6.402 6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 115 2.453 5.327 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 115 2.392 7.102 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 115 3.356 6.167 3.754 1.00 0.00 H new ATOM 1775 N ARG A 116 4.529 3.942 5.946 1.00 0.00 N ATOM 1776 CA ARG A 116 5.216 2.674 5.775 1.00 0.00 C ATOM 1777 C ARG A 116 4.820 2.053 4.445 1.00 0.00 C ATOM 1778 O ARG A 116 3.636 1.867 4.169 1.00 0.00 O ATOM 1779 CB ARG A 116 4.891 1.708 6.919 1.00 0.00 C ATOM 1780 CG ARG A 116 5.732 0.439 6.889 1.00 0.00 C ATOM 1781 CD ARG A 116 5.323 -0.542 7.977 1.00 0.00 C ATOM 1782 NE ARG A 116 5.498 0.006 9.324 1.00 0.00 N ATOM 1783 CZ ARG A 116 6.044 -0.672 10.337 1.00 0.00 C ATOM 1784 NH1 ARG A 116 6.524 -1.893 10.142 1.00 0.00 N ATOM 1785 NH2 ARG A 116 6.120 -0.124 11.544 1.00 0.00 N ATOM 0 H ARG A 116 3.605 3.871 6.371 1.00 0.00 H new ATOM 0 HA ARG A 116 6.290 2.862 5.787 1.00 0.00 H new ATOM 0 HB2 ARG A 116 5.046 2.217 7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 116 3.836 1.438 6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 116 5.633 -0.039 5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 116 6.784 0.698 7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 116 4.279 -0.822 7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 116 5.913 -1.453 7.880 1.00 0.00 H new ATOM 0 HE ARG A 116 5.185 0.961 9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 116 6.477 -2.318 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 116 6.940 -2.407 10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 116 5.761 0.818 11.700 1.00 0.00 H new ATOM 0 HH22 ARG A 116 6.538 -0.645 12.315 1.00 0.00 H new ATOM 1799 N LEU A 117 5.809 1.756 3.624 1.00 0.00 N ATOM 1800 CA LEU A 117 5.581 1.138 2.330 1.00 0.00 C ATOM 1801 C LEU A 117 5.674 -0.376 2.458 1.00 0.00 C ATOM 1802 O LEU A 117 6.595 -0.888 3.083 1.00 0.00 O ATOM 1803 CB LEU A 117 6.614 1.648 1.318 1.00 0.00 C ATOM 1804 CG LEU A 117 6.513 1.058 -0.092 1.00 0.00 C ATOM 1805 CD1 LEU A 117 5.204 1.459 -0.753 1.00 0.00 C ATOM 1806 CD2 LEU A 117 7.691 1.507 -0.938 1.00 0.00 C ATOM 0 H LEU A 117 6.791 1.935 3.834 1.00 0.00 H new ATOM 0 HA LEU A 117 4.584 1.402 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.520 2.732 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.610 1.440 1.708 1.00 0.00 H new ATOM 0 HG LEU A 117 6.535 -0.029 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 117 5.155 1.029 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.368 1.091 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 117 5.149 2.545 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.605 1.080 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.695 2.595 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.619 1.169 -0.477 1.00 0.00 H new ATOM 1818 N ILE A 118 4.713 -1.086 1.895 1.00 0.00 N ATOM 1819 CA ILE A 118 4.736 -2.541 1.918 1.00 0.00 C ATOM 1820 C ILE A 118 4.605 -3.103 0.507 1.00 0.00 C ATOM 1821 O ILE A 118 3.650 -2.804 -0.210 1.00 0.00 O ATOM 1822 CB ILE A 118 3.619 -3.124 2.816 1.00 0.00 C ATOM 1823 CG1 ILE A 118 3.815 -2.669 4.268 1.00 0.00 C ATOM 1824 CG2 ILE A 118 3.600 -4.649 2.727 1.00 0.00 C ATOM 1825 CD1 ILE A 118 2.764 -3.199 5.220 1.00 0.00 C ATOM 0 H ILE A 118 3.908 -0.682 1.417 1.00 0.00 H new ATOM 0 HA ILE A 118 5.697 -2.838 2.339 1.00 0.00 H new ATOM 0 HB ILE A 118 2.658 -2.751 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 118 4.798 -2.991 4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.807 -1.580 4.302 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.808 -5.041 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 118 3.418 -4.951 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 118 4.561 -5.045 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 118 2.969 -2.835 6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 118 1.779 -2.855 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 118 2.786 -4.289 5.216 1.00 0.00 H new ATOM 1837 N ILE A 119 5.584 -3.898 0.110 1.00 0.00 N ATOM 1838 CA ILE A 119 5.570 -4.547 -1.188 1.00 0.00 C ATOM 1839 C ILE A 119 5.640 -6.057 -1.016 1.00 0.00 C ATOM 1840 O ILE A 119 6.564 -6.578 -0.389 1.00 0.00 O ATOM 1841 CB ILE A 119 6.752 -4.091 -2.070 1.00 0.00 C ATOM 1842 CG1 ILE A 119 6.714 -2.576 -2.284 1.00 0.00 C ATOM 1843 CG2 ILE A 119 6.732 -4.821 -3.408 1.00 0.00 C ATOM 1844 CD1 ILE A 119 7.871 -2.053 -3.108 1.00 0.00 C ATOM 0 H ILE A 119 6.406 -4.110 0.675 1.00 0.00 H new ATOM 0 HA ILE A 119 4.640 -4.264 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 119 7.680 -4.340 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.778 -2.310 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.716 -2.080 -1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 119 7.572 -4.487 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.811 -5.895 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.799 -4.604 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.779 -0.973 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.810 -2.288 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.858 -2.521 -4.092 1.00 0.00 H new ATOM 1856 N LYS A 120 4.660 -6.761 -1.554 1.00 0.00 N ATOM 1857 CA LYS A 120 4.677 -8.212 -1.514 1.00 0.00 C ATOM 1858 C LYS A 120 4.799 -8.792 -2.916 1.00 0.00 C ATOM 1859 O LYS A 120 3.843 -8.772 -3.693 1.00 0.00 O ATOM 1860 CB LYS A 120 3.425 -8.766 -0.826 1.00 0.00 C ATOM 1861 CG LYS A 120 3.311 -10.287 -0.911 1.00 0.00 C ATOM 1862 CD LYS A 120 2.099 -10.816 -0.162 1.00 0.00 C ATOM 1863 CE LYS A 120 2.311 -10.774 1.341 1.00 0.00 C ATOM 1864 NZ LYS A 120 3.387 -11.702 1.782 1.00 0.00 N ATOM 0 H LYS A 120 3.848 -6.355 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 120 5.549 -8.511 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 120 3.433 -8.467 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 120 2.541 -8.317 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 120 3.248 -10.587 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 120 4.214 -10.740 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 120 1.222 -10.224 -0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.896 -11.841 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.564 -9.757 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 120 1.380 -11.034 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 3.544 -11.591 2.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 3.105 -12.682 1.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 4.266 -11.482 1.271 1.00 0.00 H new ATOM 1878 N PRO A 121 5.994 -9.278 -3.269 1.00 0.00 N ATOM 1879 CA PRO A 121 6.188 -10.051 -4.486 1.00 0.00 C ATOM 1880 C PRO A 121 5.763 -11.502 -4.283 1.00 0.00 C ATOM 1881 O PRO A 121 5.488 -11.926 -3.155 1.00 0.00 O ATOM 1882 CB PRO A 121 7.691 -9.960 -4.722 1.00 0.00 C ATOM 1883 CG PRO A 121 8.278 -9.823 -3.357 1.00 0.00 C ATOM 1884 CD PRO A 121 7.255 -9.091 -2.522 1.00 0.00 C ATOM 0 HA PRO A 121 5.597 -9.681 -5.324 1.00 0.00 H new ATOM 0 HB2 PRO A 121 8.067 -10.849 -5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 121 7.943 -9.105 -5.350 1.00 0.00 H new ATOM 0 HG2 PRO A 121 8.499 -10.801 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 121 9.217 -9.271 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.189 -9.505 -1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.505 -8.035 -2.417 1.00 0.00 H new ATOM 1892 N LEU A 122 5.714 -12.258 -5.364 1.00 0.00 N ATOM 1893 CA LEU A 122 5.334 -13.658 -5.293 1.00 0.00 C ATOM 1894 C LEU A 122 6.426 -14.470 -4.608 1.00 0.00 C ATOM 1895 O LEU A 122 7.595 -14.075 -4.606 1.00 0.00 O ATOM 1896 CB LEU A 122 5.097 -14.205 -6.697 1.00 0.00 C ATOM 1897 CG LEU A 122 4.106 -13.411 -7.540 1.00 0.00 C ATOM 1898 CD1 LEU A 122 4.133 -13.908 -8.972 1.00 0.00 C ATOM 1899 CD2 LEU A 122 2.705 -13.514 -6.955 1.00 0.00 C ATOM 0 H LEU A 122 5.933 -11.926 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 122 4.415 -13.739 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.051 -14.240 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 122 4.740 -15.232 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 122 4.396 -12.360 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.422 -13.336 -9.569 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.135 -13.782 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.861 -14.963 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.011 -12.941 -7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.395 -14.559 -6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 122 2.704 -13.116 -5.940 1.00 0.00 H new ATOM 1911 N THR A 123 6.051 -15.599 -4.026 1.00 0.00 N ATOM 1912 CA THR A 123 7.019 -16.497 -3.426 1.00 0.00 C ATOM 1913 C THR A 123 7.941 -17.065 -4.502 1.00 0.00 C ATOM 1914 O THR A 123 7.512 -17.853 -5.352 1.00 0.00 O ATOM 1915 CB THR A 123 6.321 -17.646 -2.679 1.00 0.00 C ATOM 1916 OG1 THR A 123 5.397 -17.117 -1.720 1.00 0.00 O ATOM 1917 CG2 THR A 123 7.333 -18.530 -1.969 1.00 0.00 C ATOM 0 H THR A 123 5.083 -15.913 -3.958 1.00 0.00 H new ATOM 0 HA THR A 123 7.607 -15.928 -2.706 1.00 0.00 H new ATOM 0 HB THR A 123 5.786 -18.249 -3.413 1.00 0.00 H new ATOM 0 HG1 THR A 123 4.955 -17.855 -1.250 1.00 0.00 H new ATOM 0 HG21 THR A 123 6.812 -19.334 -1.449 1.00 0.00 H new ATOM 0 HG22 THR A 123 8.020 -18.956 -2.700 1.00 0.00 H new ATOM 0 HG23 THR A 123 7.893 -17.935 -1.248 1.00 0.00 H new ATOM 1925 N GLY A 124 9.193 -16.636 -4.480 1.00 0.00 N ATOM 1926 CA GLY A 124 10.145 -17.084 -5.472 1.00 0.00 C ATOM 1927 C GLY A 124 10.479 -15.999 -6.473 1.00 0.00 C ATOM 1928 O GLY A 124 11.289 -16.207 -7.379 1.00 0.00 O ATOM 0 H GLY A 124 9.567 -15.984 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 124 11.058 -17.412 -4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 124 9.740 -17.949 -5.997 1.00 0.00 H new ATOM 1932 N GLU A 125 9.853 -14.839 -6.322 1.00 0.00 N ATOM 1933 CA GLU A 125 10.129 -13.709 -7.186 1.00 0.00 C ATOM 1934 C GLU A 125 11.139 -12.773 -6.544 1.00 0.00 C ATOM 1935 O GLU A 125 11.764 -13.102 -5.533 1.00 0.00 O ATOM 1936 CB GLU A 125 8.845 -12.940 -7.515 1.00 0.00 C ATOM 1937 CG GLU A 125 8.050 -13.530 -8.663 1.00 0.00 C ATOM 1938 CD GLU A 125 7.424 -12.452 -9.520 1.00 0.00 C ATOM 1939 OE1 GLU A 125 6.464 -11.798 -9.063 1.00 0.00 O ATOM 1940 OE2 GLU A 125 7.913 -12.230 -10.645 1.00 0.00 O ATOM 0 H GLU A 125 9.149 -14.660 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 125 10.548 -14.099 -8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 125 8.214 -12.910 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 125 9.103 -11.909 -7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.703 -14.150 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.270 -14.181 -8.269 1.00 0.00 H new ATOM 1947 N ASP A 126 11.288 -11.613 -7.145 1.00 0.00 N ATOM 1948 CA ASP A 126 12.238 -10.611 -6.686 1.00 0.00 C ATOM 1949 C ASP A 126 11.698 -9.222 -7.016 1.00 0.00 C ATOM 1950 O ASP A 126 10.761 -9.093 -7.804 1.00 0.00 O ATOM 1951 CB ASP A 126 13.589 -10.826 -7.379 1.00 0.00 C ATOM 1952 CG ASP A 126 14.764 -10.244 -6.614 1.00 0.00 C ATOM 1953 OD1 ASP A 126 14.832 -9.007 -6.458 1.00 0.00 O ATOM 1954 OD2 ASP A 126 15.641 -11.028 -6.189 1.00 0.00 O ATOM 0 H ASP A 126 10.755 -11.333 -7.968 1.00 0.00 H new ATOM 0 HA ASP A 126 12.376 -10.700 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 126 13.750 -11.895 -7.518 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.554 -10.377 -8.372 1.00 0.00 H new ATOM 1959 N ILE A 127 12.276 -8.191 -6.417 1.00 0.00 N ATOM 1960 CA ILE A 127 11.882 -6.822 -6.729 1.00 0.00 C ATOM 1961 C ILE A 127 12.795 -6.269 -7.817 1.00 0.00 C ATOM 1962 O ILE A 127 12.442 -5.314 -8.501 1.00 0.00 O ATOM 1963 CB ILE A 127 11.954 -5.889 -5.496 1.00 0.00 C ATOM 1964 CG1 ILE A 127 11.232 -6.507 -4.296 1.00 0.00 C ATOM 1965 CG2 ILE A 127 11.344 -4.527 -5.823 1.00 0.00 C ATOM 1966 CD1 ILE A 127 11.296 -5.644 -3.051 1.00 0.00 C ATOM 0 H ILE A 127 13.014 -8.273 -5.717 1.00 0.00 H new ATOM 0 HA ILE A 127 10.845 -6.852 -7.065 1.00 0.00 H new ATOM 0 HB ILE A 127 13.004 -5.757 -5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.188 -6.679 -4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.671 -7.481 -4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.402 -3.882 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.894 -4.070 -6.646 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.300 -4.655 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 127 10.765 -6.139 -2.238 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.337 -5.493 -2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.831 -4.679 -3.253 1.00 0.00 H new ATOM 2047 N LYS A 132 17.650 -2.173 -0.876 1.00 0.00 N ATOM 2048 CA LYS A 132 17.075 -1.442 0.242 1.00 0.00 C ATOM 2049 C LYS A 132 15.868 -2.195 0.784 1.00 0.00 C ATOM 2050 O LYS A 132 15.658 -3.358 0.437 1.00 0.00 O ATOM 2051 CB LYS A 132 16.670 -0.028 -0.189 1.00 0.00 C ATOM 2052 CG LYS A 132 17.848 0.920 -0.333 1.00 0.00 C ATOM 2053 CD LYS A 132 17.437 2.251 -0.929 1.00 0.00 C ATOM 2054 CE LYS A 132 18.610 3.212 -0.952 1.00 0.00 C ATOM 2055 NZ LYS A 132 18.328 4.425 -1.759 1.00 0.00 N ATOM 0 HA LYS A 132 17.825 -1.357 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 132 16.140 -0.084 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 132 15.972 0.380 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.302 1.085 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.608 0.460 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 132 17.063 2.102 -1.942 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.621 2.679 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 132 18.856 3.506 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 132 19.485 2.704 -1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 19.158 5.052 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 18.119 4.149 -2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.509 4.926 -1.358 1.00 0.00 H new ATOM 2069 N MET A 133 15.088 -1.521 1.631 1.00 0.00 N ATOM 2070 CA MET A 133 13.896 -2.108 2.252 1.00 0.00 C ATOM 2071 C MET A 133 14.288 -3.189 3.254 1.00 0.00 C ATOM 2072 O MET A 133 15.471 -3.444 3.485 1.00 0.00 O ATOM 2073 CB MET A 133 12.930 -2.685 1.204 1.00 0.00 C ATOM 2074 CG MET A 133 12.510 -1.685 0.140 1.00 0.00 C ATOM 2075 SD MET A 133 11.186 -2.296 -0.920 1.00 0.00 S ATOM 2076 CE MET A 133 9.795 -2.194 0.202 1.00 0.00 C ATOM 0 H MET A 133 15.263 -0.555 1.906 1.00 0.00 H new ATOM 0 HA MET A 133 13.378 -1.306 2.778 1.00 0.00 H new ATOM 0 HB2 MET A 133 13.403 -3.540 0.720 1.00 0.00 H new ATOM 0 HB3 MET A 133 12.040 -3.058 1.711 1.00 0.00 H new ATOM 0 HG2 MET A 133 12.185 -0.764 0.624 1.00 0.00 H new ATOM 0 HG3 MET A 133 13.374 -1.434 -0.476 1.00 0.00 H new ATOM 0 HE1 MET A 133 9.300 -3.163 0.257 1.00 0.00 H new ATOM 0 HE2 MET A 133 10.147 -1.910 1.194 1.00 0.00 H new ATOM 0 HE3 MET A 133 9.090 -1.446 -0.160 1.00 0.00 H new ATOM 2086 N LYS A 134 13.295 -3.809 3.865 1.00 0.00 N ATOM 2087 CA LYS A 134 13.547 -4.861 4.841 1.00 0.00 C ATOM 2088 C LYS A 134 12.596 -6.035 4.635 1.00 0.00 C ATOM 2089 O LYS A 134 11.433 -5.849 4.274 1.00 0.00 O ATOM 2090 CB LYS A 134 13.406 -4.305 6.260 1.00 0.00 C ATOM 2091 CG LYS A 134 12.126 -3.517 6.466 1.00 0.00 C ATOM 2092 CD LYS A 134 11.949 -3.067 7.903 1.00 0.00 C ATOM 2093 CE LYS A 134 11.801 -4.247 8.848 1.00 0.00 C ATOM 2094 NZ LYS A 134 11.172 -3.841 10.128 1.00 0.00 N ATOM 0 H LYS A 134 12.308 -3.605 3.706 1.00 0.00 H new ATOM 0 HA LYS A 134 14.566 -5.223 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 134 13.436 -5.130 6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.260 -3.664 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 134 12.131 -2.644 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.274 -4.130 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.807 -2.465 8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.069 -2.428 7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.197 -5.021 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 134 12.781 -4.682 9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 11.371 -4.558 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.560 -2.925 10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.144 -3.756 9.998 1.00 0.00 H new ATOM 2108 N LEU A 135 13.099 -7.242 4.861 1.00 0.00 N ATOM 2109 CA LEU A 135 12.305 -8.447 4.690 1.00 0.00 C ATOM 2110 C LEU A 135 11.548 -8.779 5.972 1.00 0.00 C ATOM 2111 O LEU A 135 12.132 -8.845 7.055 1.00 0.00 O ATOM 2112 CB LEU A 135 13.201 -9.622 4.287 1.00 0.00 C ATOM 2113 CG LEU A 135 12.469 -10.941 4.035 1.00 0.00 C ATOM 2114 CD1 LEU A 135 11.443 -10.778 2.924 1.00 0.00 C ATOM 2115 CD2 LEU A 135 13.460 -12.044 3.688 1.00 0.00 C ATOM 0 H LEU A 135 14.058 -7.410 5.165 1.00 0.00 H new ATOM 0 HA LEU A 135 11.580 -8.269 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 135 13.747 -9.349 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 135 13.941 -9.780 5.071 1.00 0.00 H new ATOM 0 HG LEU A 135 11.945 -11.223 4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 135 10.932 -11.727 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.715 -10.019 3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 135 11.946 -10.472 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 135 12.921 -12.975 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 135 14.011 -11.768 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 135 14.158 -12.179 4.514 1.00 0.00 H new ATOM 2127 N VAL A 136 10.246 -8.970 5.838 1.00 0.00 N ATOM 2128 CA VAL A 136 9.392 -9.304 6.966 1.00 0.00 C ATOM 2129 C VAL A 136 8.519 -10.511 6.648 1.00 0.00 C ATOM 2130 O VAL A 136 8.039 -10.664 5.523 1.00 0.00 O ATOM 2131 CB VAL A 136 8.482 -8.125 7.371 1.00 0.00 C ATOM 2132 CG1 VAL A 136 9.005 -7.448 8.627 1.00 0.00 C ATOM 2133 CG2 VAL A 136 8.366 -7.115 6.241 1.00 0.00 C ATOM 0 H VAL A 136 9.753 -8.898 4.948 1.00 0.00 H new ATOM 0 HA VAL A 136 10.055 -9.536 7.799 1.00 0.00 H new ATOM 0 HB VAL A 136 7.490 -8.526 7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.348 -6.620 8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.032 -8.168 9.444 1.00 0.00 H new ATOM 0 HG13 VAL A 136 10.011 -7.069 8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.720 -6.294 6.552 1.00 0.00 H new ATOM 0 HG22 VAL A 136 9.355 -6.726 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.940 -7.599 5.362 1.00 0.00 H new ATOM 2143 N ASN A 137 8.341 -11.381 7.632 1.00 0.00 N ATOM 2144 CA ASN A 137 7.494 -12.558 7.477 1.00 0.00 C ATOM 2145 C ASN A 137 6.363 -12.524 8.494 1.00 0.00 C ATOM 2146 O ASN A 137 6.584 -12.761 9.682 1.00 0.00 O ATOM 2147 CB ASN A 137 8.292 -13.862 7.652 1.00 0.00 C ATOM 2148 CG ASN A 137 9.201 -14.205 6.482 1.00 0.00 C ATOM 2149 OD1 ASN A 137 9.351 -15.373 6.128 1.00 0.00 O ATOM 2150 ND2 ASN A 137 9.834 -13.208 5.891 1.00 0.00 N ATOM 0 H ASN A 137 8.774 -11.294 8.551 1.00 0.00 H new ATOM 0 HA ASN A 137 7.089 -12.538 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 137 8.897 -13.785 8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 137 7.593 -14.684 7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 137 10.470 -13.396 5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 137 9.687 -12.250 6.210 1.00 0.00 H new ATOM 2157 N TYR A 138 5.162 -12.218 8.033 1.00 0.00 N ATOM 2158 CA TYR A 138 4.002 -12.181 8.908 1.00 0.00 C ATOM 2159 C TYR A 138 2.991 -13.220 8.457 1.00 0.00 C ATOM 2160 O TYR A 138 2.417 -13.110 7.375 1.00 0.00 O ATOM 2161 CB TYR A 138 3.368 -10.785 8.918 1.00 0.00 C ATOM 2162 CG TYR A 138 2.206 -10.646 9.880 1.00 0.00 C ATOM 2163 CD1 TYR A 138 2.423 -10.360 11.221 1.00 0.00 C ATOM 2164 CD2 TYR A 138 0.893 -10.801 9.448 1.00 0.00 C ATOM 2165 CE1 TYR A 138 1.368 -10.230 12.102 1.00 0.00 C ATOM 2166 CE2 TYR A 138 -0.166 -10.673 10.324 1.00 0.00 C ATOM 2167 CZ TYR A 138 0.077 -10.388 11.649 1.00 0.00 C ATOM 2168 OH TYR A 138 -0.974 -10.259 12.524 1.00 0.00 O ATOM 0 H TYR A 138 4.965 -11.992 7.058 1.00 0.00 H new ATOM 0 HA TYR A 138 4.322 -12.410 9.924 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.132 -10.052 9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.025 -10.545 7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 138 3.434 -10.237 11.581 1.00 0.00 H new ATOM 0 HD2 TYR A 138 0.699 -11.025 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 138 1.554 -10.005 13.142 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -1.180 -10.796 9.972 1.00 0.00 H new ATOM 0 HH TYR A 138 -1.650 -10.940 12.326 1.00 0.00 H new ATOM 2178 N GLY A 139 2.803 -14.242 9.272 1.00 0.00 N ATOM 2179 CA GLY A 139 1.885 -15.306 8.925 1.00 0.00 C ATOM 2180 C GLY A 139 2.517 -16.309 7.987 1.00 0.00 C ATOM 2181 O GLY A 139 1.823 -16.960 7.202 1.00 0.00 O ATOM 0 H GLY A 139 3.271 -14.356 10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 139 1.557 -15.813 9.832 1.00 0.00 H new ATOM 0 HA3 GLY A 139 0.996 -14.881 8.458 1.00 0.00 H new ATOM 2185 N ARG A 140 3.843 -16.413 8.072 1.00 0.00 N ATOM 2186 CA ARG A 140 4.631 -17.326 7.243 1.00 0.00 C ATOM 2187 C ARG A 140 4.618 -16.916 5.773 1.00 0.00 C ATOM 2188 O ARG A 140 5.110 -17.644 4.913 1.00 0.00 O ATOM 2189 CB ARG A 140 4.163 -18.774 7.417 1.00 0.00 C ATOM 2190 CG ARG A 140 4.401 -19.302 8.821 1.00 0.00 C ATOM 2191 CD ARG A 140 5.880 -19.265 9.174 1.00 0.00 C ATOM 2192 NE ARG A 140 6.109 -19.436 10.608 1.00 0.00 N ATOM 2193 CZ ARG A 140 7.312 -19.555 11.163 1.00 0.00 C ATOM 2194 NH1 ARG A 140 8.404 -19.565 10.407 1.00 0.00 N ATOM 2195 NH2 ARG A 140 7.427 -19.671 12.482 1.00 0.00 N ATOM 0 H ARG A 140 4.405 -15.863 8.722 1.00 0.00 H new ATOM 0 HA ARG A 140 5.664 -17.262 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 140 3.100 -18.838 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 140 4.685 -19.409 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 140 3.837 -18.705 9.538 1.00 0.00 H new ATOM 0 HG3 ARG A 140 4.031 -20.324 8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.402 -20.051 8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.306 -18.315 8.850 1.00 0.00 H new ATOM 0 HE ARG A 140 5.295 -19.466 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 140 8.324 -19.481 9.394 1.00 0.00 H new ATOM 0 HH12 ARG A 140 9.323 -19.657 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.593 -19.669 13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 140 8.350 -19.762 12.907 1.00 0.00 H new ATOM 2209 N THR A 141 4.069 -15.741 5.488 1.00 0.00 N ATOM 2210 CA THR A 141 4.175 -15.166 4.162 1.00 0.00 C ATOM 2211 C THR A 141 5.158 -14.000 4.215 1.00 0.00 C ATOM 2212 O THR A 141 5.130 -13.191 5.146 1.00 0.00 O ATOM 2213 CB THR A 141 2.805 -14.706 3.597 1.00 0.00 C ATOM 2214 OG1 THR A 141 2.939 -14.365 2.209 1.00 0.00 O ATOM 2215 CG2 THR A 141 2.252 -13.505 4.351 1.00 0.00 C ATOM 0 H THR A 141 3.549 -15.174 6.157 1.00 0.00 H new ATOM 0 HA THR A 141 4.537 -15.937 3.482 1.00 0.00 H new ATOM 0 HB THR A 141 2.109 -15.536 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 141 2.050 -14.232 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 141 1.292 -13.217 3.922 1.00 0.00 H new ATOM 0 HG22 THR A 141 2.117 -13.765 5.401 1.00 0.00 H new ATOM 0 HG23 THR A 141 2.950 -12.672 4.271 1.00 0.00 H new ATOM 2223 N TYR A 142 6.042 -13.925 3.240 1.00 0.00 N ATOM 2224 CA TYR A 142 7.111 -12.944 3.284 1.00 0.00 C ATOM 2225 C TYR A 142 6.790 -11.756 2.392 1.00 0.00 C ATOM 2226 O TYR A 142 6.094 -11.889 1.382 1.00 0.00 O ATOM 2227 CB TYR A 142 8.452 -13.580 2.886 1.00 0.00 C ATOM 2228 CG TYR A 142 8.709 -13.664 1.395 1.00 0.00 C ATOM 2229 CD1 TYR A 142 8.049 -14.588 0.594 1.00 0.00 C ATOM 2230 CD2 TYR A 142 9.630 -12.818 0.797 1.00 0.00 C ATOM 2231 CE1 TYR A 142 8.305 -14.663 -0.765 1.00 0.00 C ATOM 2232 CE2 TYR A 142 9.887 -12.883 -0.556 1.00 0.00 C ATOM 2233 CZ TYR A 142 9.225 -13.805 -1.333 1.00 0.00 C ATOM 2234 OH TYR A 142 9.491 -13.876 -2.685 1.00 0.00 O ATOM 0 H TYR A 142 6.043 -14.525 2.415 1.00 0.00 H new ATOM 0 HA TYR A 142 7.199 -12.584 4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 142 9.258 -13.008 3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 142 8.497 -14.586 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 142 7.326 -15.257 1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 142 10.156 -12.095 1.402 1.00 0.00 H new ATOM 0 HE1 TYR A 142 7.788 -15.388 -1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 142 10.605 -12.213 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 142 8.650 -13.976 -3.179 1.00 0.00 H new ATOM 2244 N PHE A 143 7.254 -10.592 2.803 1.00 0.00 N ATOM 2245 CA PHE A 143 7.107 -9.379 2.022 1.00 0.00 C ATOM 2246 C PHE A 143 8.191 -8.393 2.417 1.00 0.00 C ATOM 2247 O PHE A 143 8.913 -8.618 3.388 1.00 0.00 O ATOM 2248 CB PHE A 143 5.712 -8.768 2.219 1.00 0.00 C ATOM 2249 CG PHE A 143 5.287 -8.640 3.657 1.00 0.00 C ATOM 2250 CD1 PHE A 143 4.679 -9.704 4.307 1.00 0.00 C ATOM 2251 CD2 PHE A 143 5.487 -7.461 4.356 1.00 0.00 C ATOM 2252 CE1 PHE A 143 4.282 -9.594 5.623 1.00 0.00 C ATOM 2253 CE2 PHE A 143 5.091 -7.348 5.674 1.00 0.00 C ATOM 2254 CZ PHE A 143 4.489 -8.416 6.307 1.00 0.00 C ATOM 0 H PHE A 143 7.744 -10.460 3.688 1.00 0.00 H new ATOM 0 HA PHE A 143 7.213 -9.620 0.964 1.00 0.00 H new ATOM 0 HB2 PHE A 143 5.693 -7.781 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 143 4.982 -9.381 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 143 4.515 -10.630 3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 143 5.957 -6.622 3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 143 3.809 -10.430 6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 143 5.252 -6.424 6.209 1.00 0.00 H new ATOM 0 HZ PHE A 143 4.180 -8.329 7.338 1.00 0.00 H new ATOM 2264 N TYR A 144 8.313 -7.320 1.662 1.00 0.00 N ATOM 2265 CA TYR A 144 9.302 -6.303 1.952 1.00 0.00 C ATOM 2266 C TYR A 144 8.614 -5.018 2.355 1.00 0.00 C ATOM 2267 O TYR A 144 7.769 -4.503 1.623 1.00 0.00 O ATOM 2268 CB TYR A 144 10.205 -6.058 0.740 1.00 0.00 C ATOM 2269 CG TYR A 144 11.086 -7.235 0.396 1.00 0.00 C ATOM 2270 CD1 TYR A 144 12.344 -7.365 0.963 1.00 0.00 C ATOM 2271 CD2 TYR A 144 10.660 -8.210 -0.496 1.00 0.00 C ATOM 2272 CE1 TYR A 144 13.157 -8.438 0.654 1.00 0.00 C ATOM 2273 CE2 TYR A 144 11.466 -9.286 -0.811 1.00 0.00 C ATOM 2274 CZ TYR A 144 12.713 -9.394 -0.235 1.00 0.00 C ATOM 2275 OH TYR A 144 13.519 -10.464 -0.550 1.00 0.00 O ATOM 0 H TYR A 144 7.738 -7.130 0.841 1.00 0.00 H new ATOM 0 HA TYR A 144 9.925 -6.652 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 144 9.584 -5.815 -0.122 1.00 0.00 H new ATOM 0 HB3 TYR A 144 10.833 -5.189 0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 144 12.694 -6.616 1.657 1.00 0.00 H new ATOM 0 HD2 TYR A 144 9.684 -8.126 -0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 144 14.134 -8.528 1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 144 11.121 -10.038 -1.505 1.00 0.00 H new ATOM 0 HH TYR A 144 13.056 -11.045 -1.189 1.00 0.00 H new ATOM 2285 N GLU A 145 8.955 -4.510 3.520 1.00 0.00 N ATOM 2286 CA GLU A 145 8.378 -3.264 3.980 1.00 0.00 C ATOM 2287 C GLU A 145 9.456 -2.196 4.027 1.00 0.00 C ATOM 2288 O GLU A 145 10.651 -2.499 3.998 1.00 0.00 O ATOM 2289 CB GLU A 145 7.709 -3.418 5.357 1.00 0.00 C ATOM 2290 CG GLU A 145 8.688 -3.546 6.514 1.00 0.00 C ATOM 2291 CD GLU A 145 8.010 -3.604 7.872 1.00 0.00 C ATOM 2292 OE1 GLU A 145 6.782 -3.382 7.948 1.00 0.00 O ATOM 2293 OE2 GLU A 145 8.710 -3.854 8.878 1.00 0.00 O ATOM 0 H GLU A 145 9.623 -4.936 4.162 1.00 0.00 H new ATOM 0 HA GLU A 145 7.600 -2.967 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 145 7.065 -2.557 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 145 7.066 -4.298 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 145 9.287 -4.446 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 145 9.375 -2.700 6.495 1.00 0.00 H new ATOM 2300 N TYR A 146 9.032 -0.952 4.059 1.00 0.00 N ATOM 2301 CA TYR A 146 9.941 0.160 4.201 1.00 0.00 C ATOM 2302 C TYR A 146 9.330 1.213 5.099 1.00 0.00 C ATOM 2303 O TYR A 146 8.194 1.634 4.897 1.00 0.00 O ATOM 2304 CB TYR A 146 10.284 0.766 2.841 1.00 0.00 C ATOM 2305 CG TYR A 146 11.073 2.053 2.948 1.00 0.00 C ATOM 2306 CD1 TYR A 146 12.389 2.040 3.388 1.00 0.00 C ATOM 2307 CD2 TYR A 146 10.502 3.281 2.622 1.00 0.00 C ATOM 2308 CE1 TYR A 146 13.117 3.206 3.499 1.00 0.00 C ATOM 2309 CE2 TYR A 146 11.226 4.454 2.729 1.00 0.00 C ATOM 2310 CZ TYR A 146 12.534 4.412 3.168 1.00 0.00 C ATOM 2311 OH TYR A 146 13.266 5.579 3.273 1.00 0.00 O ATOM 0 H TYR A 146 8.050 -0.685 3.987 1.00 0.00 H new ATOM 0 HA TYR A 146 10.863 -0.207 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 146 10.857 0.042 2.261 1.00 0.00 H new ATOM 0 HB3 TYR A 146 9.362 0.956 2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 146 12.852 1.099 3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 146 9.478 3.317 2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 146 14.140 3.175 3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 146 10.770 5.398 2.470 1.00 0.00 H new ATOM 0 HH TYR A 146 12.710 6.339 3.001 1.00 0.00 H new ATOM 2321 N ILE A 147 10.086 1.631 6.089 1.00 0.00 N ATOM 2322 CA ILE A 147 9.652 2.689 6.971 1.00 0.00 C ATOM 2323 C ILE A 147 10.352 3.963 6.551 1.00 0.00 C ATOM 2324 O ILE A 147 11.582 4.003 6.507 1.00 0.00 O ATOM 2325 CB ILE A 147 9.961 2.387 8.461 1.00 0.00 C ATOM 2326 CG1 ILE A 147 9.160 1.177 8.965 1.00 0.00 C ATOM 2327 CG2 ILE A 147 9.668 3.604 9.329 1.00 0.00 C ATOM 2328 CD1 ILE A 147 9.694 -0.163 8.502 1.00 0.00 C ATOM 0 H ILE A 147 11.008 1.252 6.304 1.00 0.00 H new ATOM 0 HA ILE A 147 8.569 2.785 6.890 1.00 0.00 H new ATOM 0 HB ILE A 147 11.022 2.148 8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 147 9.148 1.193 10.055 1.00 0.00 H new ATOM 0 HG13 ILE A 147 8.127 1.277 8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 147 9.891 3.371 10.370 1.00 0.00 H new ATOM 0 HG22 ILE A 147 10.287 4.440 9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 147 8.616 3.873 9.235 1.00 0.00 H new ATOM 0 HD11 ILE A 147 9.070 -0.962 8.903 1.00 0.00 H new ATOM 0 HD12 ILE A 147 9.680 -0.204 7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 147 10.717 -0.289 8.856 1.00 0.00 H new ATOM 2340 N ALA A 148 9.578 4.975 6.185 1.00 0.00 N ATOM 2341 CA ALA A 148 10.151 6.250 5.782 1.00 0.00 C ATOM 2342 C ALA A 148 10.902 6.883 6.942 1.00 0.00 C ATOM 2343 O ALA A 148 10.326 7.575 7.779 1.00 0.00 O ATOM 2344 CB ALA A 148 9.083 7.178 5.243 1.00 0.00 C ATOM 0 H ALA A 148 8.559 4.938 6.159 1.00 0.00 H new ATOM 0 HA ALA A 148 10.863 6.070 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 148 9.538 8.124 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 148 8.606 6.720 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 148 8.335 7.359 6.015 1.00 0.00 H new ATOM 2350 N GLU A 149 12.190 6.596 6.987 1.00 0.00 N ATOM 2351 CA GLU A 149 13.056 7.024 8.062 1.00 0.00 C ATOM 2352 C GLU A 149 13.512 8.459 7.856 1.00 0.00 C ATOM 2353 O GLU A 149 13.282 9.052 6.798 1.00 0.00 O ATOM 2354 CB GLU A 149 14.256 6.080 8.132 1.00 0.00 C ATOM 2355 CG GLU A 149 15.053 6.016 6.838 1.00 0.00 C ATOM 2356 CD GLU A 149 16.090 4.910 6.839 1.00 0.00 C ATOM 2357 OE1 GLU A 149 15.760 3.775 6.438 1.00 0.00 O ATOM 2358 OE2 GLU A 149 17.246 5.167 7.244 1.00 0.00 O ATOM 0 H GLU A 149 12.667 6.052 6.268 1.00 0.00 H new ATOM 0 HA GLU A 149 12.507 6.990 9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 149 14.914 6.401 8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 149 13.907 5.079 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.369 5.865 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.549 6.973 6.675 1.00 0.00 H new