USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 577 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 48 CYS SG : rot 67:sc= -2.42! USER MOD Set 1.2: A 55 MET CE :methyl -141:sc= -0.295 (180deg=-2.4!) USER MOD Set 2.1: A 28 SER OG : rot 120:sc= 0.371 USER MOD Set 2.2: A 47 TYR OH : rot -80:sc= -0.165 USER MOD Set 2.3: A 51 GLN : amide:sc= -0.491 K(o=-0.28,f=-4.5!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.55! X(o=-1.5!,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= 1.23 (180deg=1.17) USER MOD Single : A 25 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.2) USER MOD Single : A 31 GLN : amide:sc= -1.03 K(o=-1,f=-0.24) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.017) USER MOD Single : A 38 THR OG1 : rot -160:sc= -2.18! USER MOD Single : A 41 SER OG : rot -170:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.054) USER MOD Single : A 44 MET CE :methyl 170:sc= -0.642 (180deg=-0.945) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.13! C(o=-2.1!,f=-3.9!) USER MOD Single : A 65 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.69) USER MOD Single : A 68 ASN : amide:sc= -2.35! K(o=-2.4!,f=-0.018) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0299 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00371 USER MOD Single : A 75 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.21) USER MOD Single : A 78 MET CE :methyl -162:sc= -0.481 (180deg=-1.02) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.289 K(o=0.29,f=-0.28) USER MOD Single : A 89 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -0.585 15.663 1.422 1.00 0.00 N ATOM 243 CA HIS A 17 -0.443 14.239 1.678 1.00 0.00 C ATOM 244 C HIS A 17 -1.810 13.580 1.853 1.00 0.00 C ATOM 245 O HIS A 17 -2.732 14.171 2.422 1.00 0.00 O ATOM 246 CB HIS A 17 0.459 13.976 2.907 1.00 0.00 C ATOM 247 CG HIS A 17 -0.203 14.199 4.247 1.00 0.00 C ATOM 248 ND1 HIS A 17 -0.152 15.393 4.935 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.922 13.352 5.026 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.807 15.268 6.074 1.00 0.00 C ATOM 251 NE2 HIS A 17 -1.284 14.040 6.152 1.00 0.00 N ATOM 0 HA HIS A 17 0.042 13.791 0.810 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.816 12.947 2.862 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.335 14.621 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.164 12.324 4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.932 16.041 6.818 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.833 13.665 6.926 1.00 0.00 H new ATOM 260 N ILE A 18 -1.950 12.362 1.361 1.00 0.00 N ATOM 261 CA ILE A 18 -3.196 11.620 1.484 1.00 0.00 C ATOM 262 C ILE A 18 -2.931 10.223 2.034 1.00 0.00 C ATOM 263 O ILE A 18 -1.781 9.794 2.167 1.00 0.00 O ATOM 264 CB ILE A 18 -3.950 11.491 0.131 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.087 10.771 -0.909 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.380 12.858 -0.381 1.00 0.00 C ATOM 267 CD1 ILE A 18 -3.853 10.347 -2.149 1.00 0.00 C ATOM 0 H ILE A 18 -1.211 11.861 0.868 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.826 12.186 2.171 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.846 10.893 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.268 11.426 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.640 9.889 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.906 12.743 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.042 13.327 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.500 13.485 -0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.177 9.844 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.655 9.666 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.278 11.227 -2.633 1.00 0.00 H new ATOM 279 N ASN A 19 -3.994 9.517 2.360 1.00 0.00 N ATOM 280 CA ASN A 19 -3.891 8.165 2.883 1.00 0.00 C ATOM 281 C ASN A 19 -4.408 7.174 1.866 1.00 0.00 C ATOM 282 O ASN A 19 -5.425 7.402 1.237 1.00 0.00 O ATOM 283 CB ASN A 19 -4.682 8.040 4.198 1.00 0.00 C ATOM 284 CG ASN A 19 -4.729 6.618 4.742 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.625 5.846 4.412 1.00 0.00 O ATOM 286 ND2 ASN A 19 -3.777 6.271 5.588 1.00 0.00 N ATOM 0 H ASN A 19 -4.951 9.860 2.272 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.843 7.946 3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.234 8.693 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.700 8.393 4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.770 5.334 5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.049 6.940 5.839 1.00 0.00 H new ATOM 293 N LEU A 20 -3.695 6.096 1.679 1.00 0.00 N ATOM 294 CA LEU A 20 -4.117 5.053 0.760 1.00 0.00 C ATOM 295 C LEU A 20 -4.174 3.744 1.490 1.00 0.00 C ATOM 296 O LEU A 20 -3.365 3.486 2.374 1.00 0.00 O ATOM 297 CB LEU A 20 -3.165 4.930 -0.450 1.00 0.00 C ATOM 298 CG LEU A 20 -3.161 6.096 -1.453 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.574 6.461 -1.869 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.434 7.298 -0.889 1.00 0.00 C ATOM 0 H LEU A 20 -2.811 5.909 2.152 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.103 5.319 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.150 4.804 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.419 4.018 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.623 5.768 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.542 7.288 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.049 5.599 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.147 6.758 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.447 8.107 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.929 7.627 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.402 7.027 -0.666 1.00 0.00 H new ATOM 312 N LYS A 21 -5.132 2.922 1.157 1.00 0.00 N ATOM 313 CA LYS A 21 -5.261 1.637 1.788 1.00 0.00 C ATOM 314 C LYS A 21 -5.312 0.557 0.741 1.00 0.00 C ATOM 315 O LYS A 21 -5.930 0.712 -0.295 1.00 0.00 O ATOM 316 CB LYS A 21 -6.503 1.590 2.682 1.00 0.00 C ATOM 317 CG LYS A 21 -6.504 2.654 3.769 1.00 0.00 C ATOM 318 CD LYS A 21 -7.664 2.479 4.743 1.00 0.00 C ATOM 319 CE LYS A 21 -9.004 2.668 4.063 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.130 2.612 5.028 1.00 0.00 N ATOM 0 H LYS A 21 -5.838 3.121 0.448 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.391 1.469 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.392 1.712 2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.571 0.606 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.562 2.613 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.563 3.641 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.619 1.484 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.566 3.196 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.016 3.628 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.138 1.897 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.016 2.422 4.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.959 1.853 5.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.206 3.522 5.526 1.00 0.00 H new ATOM 334 N VAL A 22 -4.675 -0.542 1.008 1.00 0.00 N ATOM 335 CA VAL A 22 -4.634 -1.628 0.057 1.00 0.00 C ATOM 336 C VAL A 22 -5.182 -2.880 0.701 1.00 0.00 C ATOM 337 O VAL A 22 -4.798 -3.233 1.811 1.00 0.00 O ATOM 338 CB VAL A 22 -3.200 -1.900 -0.469 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.184 -3.029 -1.460 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.564 -0.663 -1.051 1.00 0.00 C ATOM 0 H VAL A 22 -4.172 -0.718 1.878 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.245 -1.339 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.601 -2.197 0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.164 -3.193 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.555 -3.936 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.821 -2.778 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.562 -0.902 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.167 -0.301 -1.884 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.503 0.110 -0.285 1.00 0.00 H new ATOM 350 N ALA A 23 -6.074 -3.550 0.005 1.00 0.00 N ATOM 351 CA ALA A 23 -6.699 -4.747 0.515 1.00 0.00 C ATOM 352 C ALA A 23 -6.354 -5.920 -0.382 1.00 0.00 C ATOM 353 O ALA A 23 -6.498 -5.845 -1.609 1.00 0.00 O ATOM 354 CB ALA A 23 -8.207 -4.564 0.592 1.00 0.00 C ATOM 0 H ALA A 23 -6.385 -3.280 -0.928 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.327 -4.945 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.665 -5.475 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.439 -3.731 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.599 -4.355 -0.403 1.00 0.00 H new ATOM 360 N GLY A 24 -5.886 -6.992 0.204 1.00 0.00 N ATOM 361 CA GLY A 24 -5.525 -8.135 -0.572 1.00 0.00 C ATOM 362 C GLY A 24 -6.527 -9.240 -0.441 1.00 0.00 C ATOM 363 O GLY A 24 -7.258 -9.309 0.546 1.00 0.00 O ATOM 0 H GLY A 24 -5.749 -7.091 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.436 -7.849 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.546 -8.494 -0.255 1.00 0.00 H new ATOM 367 N GLN A 25 -6.560 -10.118 -1.433 1.00 0.00 N ATOM 368 CA GLN A 25 -7.467 -11.278 -1.456 1.00 0.00 C ATOM 369 C GLN A 25 -7.343 -12.186 -0.206 1.00 0.00 C ATOM 370 O GLN A 25 -8.147 -13.090 -0.005 1.00 0.00 O ATOM 371 CB GLN A 25 -7.252 -12.094 -2.744 1.00 0.00 C ATOM 372 CG GLN A 25 -5.791 -12.193 -3.220 1.00 0.00 C ATOM 373 CD GLN A 25 -4.855 -12.832 -2.207 1.00 0.00 C ATOM 374 OE1 GLN A 25 -4.719 -14.046 -2.156 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.173 -12.005 -1.424 1.00 0.00 N ATOM 0 H GLN A 25 -5.958 -10.053 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.481 -10.880 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.635 -13.102 -2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.848 -11.649 -3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.759 -12.770 -4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.427 -11.193 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.316 -10.998 -1.498 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.506 -12.377 -0.748 1.00 0.00 H new ATOM 384 N ASP A 26 -6.338 -11.944 0.620 1.00 0.00 N ATOM 385 CA ASP A 26 -6.139 -12.720 1.840 1.00 0.00 C ATOM 386 C ASP A 26 -7.030 -12.183 2.958 1.00 0.00 C ATOM 387 O ASP A 26 -7.333 -12.879 3.921 1.00 0.00 O ATOM 388 CB ASP A 26 -4.666 -12.673 2.264 1.00 0.00 C ATOM 389 CG ASP A 26 -4.393 -13.451 3.535 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.506 -14.690 3.511 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.051 -12.828 4.558 1.00 0.00 O ATOM 0 H ASP A 26 -5.643 -11.213 0.469 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.412 -13.757 1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.049 -13.073 1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.368 -11.635 2.409 1.00 0.00 H new ATOM 396 N GLY A 27 -7.454 -10.938 2.814 1.00 0.00 N ATOM 397 CA GLY A 27 -8.302 -10.312 3.811 1.00 0.00 C ATOM 398 C GLY A 27 -7.537 -9.310 4.638 1.00 0.00 C ATOM 399 O GLY A 27 -8.062 -8.721 5.582 1.00 0.00 O ATOM 0 H GLY A 27 -7.225 -10.343 2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.138 -9.816 3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.724 -11.077 4.463 1.00 0.00 H new ATOM 403 N SER A 28 -6.282 -9.119 4.282 1.00 0.00 N ATOM 404 CA SER A 28 -5.423 -8.180 4.963 1.00 0.00 C ATOM 405 C SER A 28 -5.520 -6.813 4.273 1.00 0.00 C ATOM 406 O SER A 28 -5.808 -6.730 3.073 1.00 0.00 O ATOM 407 CB SER A 28 -3.976 -8.699 4.943 1.00 0.00 C ATOM 408 OG SER A 28 -3.158 -8.048 5.910 1.00 0.00 O ATOM 0 H SER A 28 -5.832 -9.613 3.511 1.00 0.00 H new ATOM 0 HA SER A 28 -5.737 -8.072 6.001 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.974 -9.773 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.552 -8.549 3.950 1.00 0.00 H new ATOM 0 HG SER A 28 -2.803 -8.711 6.538 1.00 0.00 H new ATOM 414 N VAL A 29 -5.283 -5.749 5.021 1.00 0.00 N ATOM 415 CA VAL A 29 -5.367 -4.399 4.491 1.00 0.00 C ATOM 416 C VAL A 29 -4.373 -3.496 5.200 1.00 0.00 C ATOM 417 O VAL A 29 -4.214 -3.557 6.420 1.00 0.00 O ATOM 418 CB VAL A 29 -6.808 -3.819 4.605 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.339 -3.958 6.012 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.864 -2.363 4.150 1.00 0.00 C ATOM 0 H VAL A 29 -5.028 -5.796 6.008 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.118 -4.443 3.431 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.446 -4.400 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.346 -3.545 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.364 -5.012 6.289 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.690 -3.417 6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.885 -1.992 4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.201 -1.762 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.547 -2.295 3.109 1.00 0.00 H new ATOM 430 N VAL A 30 -3.691 -2.663 4.448 1.00 0.00 N ATOM 431 CA VAL A 30 -2.687 -1.796 5.022 1.00 0.00 C ATOM 432 C VAL A 30 -2.957 -0.353 4.651 1.00 0.00 C ATOM 433 O VAL A 30 -3.405 -0.063 3.546 1.00 0.00 O ATOM 434 CB VAL A 30 -1.266 -2.174 4.563 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.228 -1.530 5.463 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.086 -3.683 4.512 1.00 0.00 C ATOM 0 H VAL A 30 -3.812 -2.567 3.440 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.744 -1.920 6.103 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.124 -1.794 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.770 -1.808 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.336 -0.446 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.372 -1.873 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.073 -3.918 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.253 -4.103 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.802 -4.111 3.811 1.00 0.00 H new ATOM 446 N GLN A 31 -2.722 0.550 5.589 1.00 0.00 N ATOM 447 CA GLN A 31 -2.923 1.962 5.354 1.00 0.00 C ATOM 448 C GLN A 31 -1.576 2.669 5.204 1.00 0.00 C ATOM 449 O GLN A 31 -0.615 2.344 5.902 1.00 0.00 O ATOM 450 CB GLN A 31 -3.727 2.605 6.498 1.00 0.00 C ATOM 451 CG GLN A 31 -5.058 1.924 6.832 1.00 0.00 C ATOM 452 CD GLN A 31 -4.923 0.741 7.778 1.00 0.00 C ATOM 453 OE1 GLN A 31 -4.904 0.907 8.992 1.00 0.00 O ATOM 454 NE2 GLN A 31 -4.879 -0.458 7.225 1.00 0.00 N ATOM 0 H GLN A 31 -2.389 0.323 6.526 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.492 2.072 4.431 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.107 2.612 7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.926 3.645 6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.729 2.658 7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.524 1.586 5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.897 -0.552 6.210 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.827 -1.289 7.814 1.00 0.00 H new ATOM 463 N PHE A 32 -1.506 3.629 4.297 1.00 0.00 N ATOM 464 CA PHE A 32 -0.263 4.347 4.029 1.00 0.00 C ATOM 465 C PHE A 32 -0.507 5.849 3.947 1.00 0.00 C ATOM 466 O PHE A 32 -1.595 6.298 3.597 1.00 0.00 O ATOM 467 CB PHE A 32 0.347 3.877 2.706 1.00 0.00 C ATOM 468 CG PHE A 32 0.413 2.385 2.549 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.669 1.685 2.043 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.553 1.683 2.904 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.620 0.322 1.893 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.609 0.311 2.755 1.00 0.00 C ATOM 473 CZ PHE A 32 0.518 -0.369 2.248 1.00 0.00 C ATOM 0 H PHE A 32 -2.297 3.933 3.729 1.00 0.00 H new ATOM 0 HA PHE A 32 0.422 4.138 4.850 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.236 4.291 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.354 4.284 2.619 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.565 2.219 1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.406 2.213 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.473 -0.209 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.502 -0.228 3.034 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.557 -1.442 2.130 1.00 0.00 H new ATOM 509 N ILE A 34 1.146 9.104 2.099 1.00 0.00 N ATOM 510 CA ILE A 34 2.101 9.597 1.111 1.00 0.00 C ATOM 511 C ILE A 34 1.580 10.870 0.469 1.00 0.00 C ATOM 512 O ILE A 34 0.460 11.298 0.735 1.00 0.00 O ATOM 513 CB ILE A 34 2.377 8.555 -0.016 1.00 0.00 C ATOM 514 CG1 ILE A 34 1.133 8.353 -0.887 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.829 7.223 0.573 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.383 7.519 -2.124 1.00 0.00 C ATOM 0 HA ILE A 34 3.033 9.787 1.644 1.00 0.00 H new ATOM 0 HB ILE A 34 3.179 8.946 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.356 7.876 -0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.750 9.328 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.015 6.513 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.745 7.370 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.051 6.832 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.456 7.420 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.136 8.005 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.736 6.530 -1.831 1.00 0.00 H new ATOM 528 N LYS A 35 2.382 11.481 -0.379 1.00 0.00 N ATOM 529 CA LYS A 35 1.965 12.671 -1.078 1.00 0.00 C ATOM 530 C LYS A 35 1.215 12.306 -2.341 1.00 0.00 C ATOM 531 O LYS A 35 1.461 11.269 -2.947 1.00 0.00 O ATOM 532 CB LYS A 35 3.159 13.552 -1.419 1.00 0.00 C ATOM 533 CG LYS A 35 3.683 14.378 -0.257 1.00 0.00 C ATOM 534 CD LYS A 35 5.003 15.054 -0.608 1.00 0.00 C ATOM 535 CE LYS A 35 4.931 15.790 -1.947 1.00 0.00 C ATOM 536 NZ LYS A 35 3.945 16.912 -1.937 1.00 0.00 N ATOM 0 H LYS A 35 3.328 11.169 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 35 1.301 13.231 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.965 12.921 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.879 14.225 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.946 15.134 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.820 13.738 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.270 15.759 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.794 14.306 -0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.918 16.181 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.662 15.083 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.937 17.376 -2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.997 16.539 -1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.214 17.604 -1.208 1.00 0.00 H new ATOM 550 N ARG A 36 0.312 13.171 -2.746 1.00 0.00 N ATOM 551 CA ARG A 36 -0.493 12.966 -3.946 1.00 0.00 C ATOM 552 C ARG A 36 0.384 12.953 -5.202 1.00 0.00 C ATOM 553 O ARG A 36 0.042 12.344 -6.209 1.00 0.00 O ATOM 554 CB ARG A 36 -1.510 14.085 -4.066 1.00 0.00 C ATOM 555 CG ARG A 36 -0.863 15.444 -4.041 1.00 0.00 C ATOM 556 CD ARG A 36 -1.776 16.514 -4.547 1.00 0.00 C ATOM 557 NE ARG A 36 -1.075 17.797 -4.636 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.549 18.887 -5.249 1.00 0.00 C ATOM 559 NH1 ARG A 36 -2.755 18.872 -5.808 1.00 0.00 N ATOM 560 NH2 ARG A 36 -0.814 19.995 -5.296 1.00 0.00 N ATOM 0 H ARG A 36 0.109 14.042 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.996 12.002 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.070 13.968 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.228 14.011 -3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.559 15.681 -3.021 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.042 15.425 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.161 16.236 -5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.635 16.609 -3.883 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.156 17.864 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.324 18.026 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.111 19.706 -6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.110 20.013 -4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.175 20.827 -5.763 1.00 0.00 H new ATOM 574 N HIS A 37 1.529 13.601 -5.123 1.00 0.00 N ATOM 575 CA HIS A 37 2.419 13.739 -6.268 1.00 0.00 C ATOM 576 C HIS A 37 3.574 12.755 -6.128 1.00 0.00 C ATOM 577 O HIS A 37 4.471 12.678 -6.968 1.00 0.00 O ATOM 578 CB HIS A 37 2.937 15.179 -6.317 1.00 0.00 C ATOM 579 CG HIS A 37 3.675 15.550 -7.575 1.00 0.00 C ATOM 580 ND1 HIS A 37 4.568 16.594 -7.641 1.00 0.00 N ATOM 581 CD2 HIS A 37 3.633 15.022 -8.823 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.041 16.693 -8.865 1.00 0.00 C ATOM 583 NE2 HIS A 37 4.490 15.752 -9.601 1.00 0.00 N ATOM 0 H HIS A 37 1.871 14.046 -4.271 1.00 0.00 H new ATOM 0 HA HIS A 37 1.888 13.520 -7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.092 15.857 -6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.598 15.340 -5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.035 14.182 -9.143 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.760 17.423 -9.207 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.672 15.592 -10.592 1.00 0.00 H new ATOM 592 N THR A 38 3.525 12.003 -5.069 1.00 0.00 N ATOM 593 CA THR A 38 4.524 11.027 -4.750 1.00 0.00 C ATOM 594 C THR A 38 4.132 9.667 -5.335 1.00 0.00 C ATOM 595 O THR A 38 2.975 9.272 -5.252 1.00 0.00 O ATOM 596 CB THR A 38 4.662 10.943 -3.217 1.00 0.00 C ATOM 597 OG1 THR A 38 5.514 11.992 -2.740 1.00 0.00 O ATOM 598 CG2 THR A 38 5.174 9.599 -2.751 1.00 0.00 C ATOM 0 H THR A 38 2.770 12.053 -4.385 1.00 0.00 H new ATOM 0 HA THR A 38 5.482 11.317 -5.182 1.00 0.00 H new ATOM 0 HB THR A 38 3.663 11.064 -2.798 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.852 11.760 -1.850 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.252 9.596 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.484 8.817 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.156 9.413 -3.185 1.00 0.00 H new ATOM 606 N PRO A 39 5.089 8.946 -5.952 1.00 0.00 N ATOM 607 CA PRO A 39 4.823 7.642 -6.565 1.00 0.00 C ATOM 608 C PRO A 39 4.266 6.632 -5.563 1.00 0.00 C ATOM 609 O PRO A 39 4.861 6.376 -4.509 1.00 0.00 O ATOM 610 CB PRO A 39 6.197 7.189 -7.079 1.00 0.00 C ATOM 611 CG PRO A 39 7.178 8.018 -6.323 1.00 0.00 C ATOM 612 CD PRO A 39 6.501 9.335 -6.090 1.00 0.00 C ATOM 0 HA PRO A 39 4.069 7.712 -7.349 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.356 6.126 -6.899 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.290 7.348 -8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.447 7.543 -5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.101 8.147 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.875 9.831 -5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.653 10.023 -6.922 1.00 0.00 H new ATOM 620 N LEU A 40 3.127 6.050 -5.896 1.00 0.00 N ATOM 621 CA LEU A 40 2.467 5.081 -5.030 1.00 0.00 C ATOM 622 C LEU A 40 3.259 3.776 -4.920 1.00 0.00 C ATOM 623 O LEU A 40 3.021 2.967 -4.022 1.00 0.00 O ATOM 624 CB LEU A 40 1.018 4.825 -5.489 1.00 0.00 C ATOM 625 CG LEU A 40 0.792 4.652 -7.002 1.00 0.00 C ATOM 626 CD1 LEU A 40 1.425 3.370 -7.518 1.00 0.00 C ATOM 627 CD2 LEU A 40 -0.692 4.682 -7.323 1.00 0.00 C ATOM 0 H LEU A 40 2.633 6.233 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 40 2.430 5.513 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.655 3.929 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.401 5.655 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 40 1.277 5.486 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.245 3.281 -8.589 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.499 3.393 -7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.986 2.515 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.835 4.558 -8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.195 3.872 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.113 5.637 -7.009 1.00 0.00 H new ATOM 639 N SER A 41 4.194 3.568 -5.849 1.00 0.00 N ATOM 640 CA SER A 41 5.033 2.368 -5.872 1.00 0.00 C ATOM 641 C SER A 41 5.686 2.123 -4.504 1.00 0.00 C ATOM 642 O SER A 41 5.902 0.976 -4.098 1.00 0.00 O ATOM 643 CB SER A 41 6.104 2.498 -6.960 1.00 0.00 C ATOM 644 OG SER A 41 6.851 1.302 -7.098 1.00 0.00 O ATOM 0 H SER A 41 4.391 4.224 -6.605 1.00 0.00 H new ATOM 0 HA SER A 41 4.399 1.511 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.631 2.744 -7.910 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.775 3.321 -6.715 1.00 0.00 H new ATOM 0 HG SER A 41 7.622 1.463 -7.681 1.00 0.00 H new ATOM 650 N LYS A 42 5.977 3.210 -3.787 1.00 0.00 N ATOM 651 CA LYS A 42 6.569 3.131 -2.456 1.00 0.00 C ATOM 652 C LYS A 42 5.697 2.286 -1.522 1.00 0.00 C ATOM 653 O LYS A 42 6.173 1.354 -0.870 1.00 0.00 O ATOM 654 CB LYS A 42 6.731 4.540 -1.878 1.00 0.00 C ATOM 655 CG LYS A 42 7.678 5.427 -2.673 1.00 0.00 C ATOM 656 CD LYS A 42 7.643 6.875 -2.191 1.00 0.00 C ATOM 657 CE LYS A 42 7.910 6.989 -0.697 1.00 0.00 C ATOM 658 NZ LYS A 42 9.216 6.403 -0.311 1.00 0.00 N ATOM 0 H LYS A 42 5.809 4.162 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 42 7.546 2.656 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.753 5.018 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.095 4.462 -0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.694 5.041 -2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.410 5.389 -3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.386 7.456 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.669 7.309 -2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.885 8.039 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.113 6.487 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.399 6.594 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.196 5.375 -0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.971 6.828 -0.887 1.00 0.00 H new ATOM 672 N LEU A 43 4.409 2.602 -1.479 1.00 0.00 N ATOM 673 CA LEU A 43 3.479 1.890 -0.618 1.00 0.00 C ATOM 674 C LEU A 43 3.218 0.482 -1.142 1.00 0.00 C ATOM 675 O LEU A 43 3.004 -0.450 -0.367 1.00 0.00 O ATOM 676 CB LEU A 43 2.155 2.677 -0.461 1.00 0.00 C ATOM 677 CG LEU A 43 1.170 2.639 -1.642 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.254 1.422 -1.557 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.354 3.915 -1.696 1.00 0.00 C ATOM 0 H LEU A 43 3.986 3.348 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 43 3.936 1.802 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.639 2.298 0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.403 3.719 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 43 1.751 2.559 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.431 1.422 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.855 0.513 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.317 1.460 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.337 3.870 -2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.209 4.026 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.021 4.768 -1.820 1.00 0.00 H new ATOM 691 N MET A 44 3.242 0.318 -2.464 1.00 0.00 N ATOM 692 CA MET A 44 2.988 -0.985 -3.065 1.00 0.00 C ATOM 693 C MET A 44 4.063 -1.981 -2.664 1.00 0.00 C ATOM 694 O MET A 44 3.775 -3.133 -2.331 1.00 0.00 O ATOM 695 CB MET A 44 2.877 -0.896 -4.593 1.00 0.00 C ATOM 696 CG MET A 44 1.724 -0.031 -5.082 1.00 0.00 C ATOM 697 SD MET A 44 1.250 -0.388 -6.789 1.00 0.00 S ATOM 698 CE MET A 44 2.780 -0.075 -7.665 1.00 0.00 C ATOM 0 H MET A 44 3.433 1.065 -3.132 1.00 0.00 H new ATOM 0 HA MET A 44 2.028 -1.337 -2.686 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.810 -0.498 -4.992 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.760 -1.901 -4.997 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.862 -0.182 -4.432 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.004 1.019 -5.000 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.688 -0.423 -8.694 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.989 0.995 -7.661 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.596 -0.606 -7.174 1.00 0.00 H new ATOM 708 N LYS A 45 5.312 -1.541 -2.685 1.00 0.00 N ATOM 709 CA LYS A 45 6.410 -2.392 -2.269 1.00 0.00 C ATOM 710 C LYS A 45 6.338 -2.663 -0.779 1.00 0.00 C ATOM 711 O LYS A 45 6.563 -3.783 -0.339 1.00 0.00 O ATOM 712 CB LYS A 45 7.758 -1.776 -2.635 1.00 0.00 C ATOM 713 CG LYS A 45 8.148 -1.973 -4.091 1.00 0.00 C ATOM 714 CD LYS A 45 9.319 -2.941 -4.232 1.00 0.00 C ATOM 715 CE LYS A 45 8.967 -4.342 -3.741 1.00 0.00 C ATOM 716 NZ LYS A 45 10.091 -5.294 -3.932 1.00 0.00 N ATOM 0 H LYS A 45 5.587 -0.605 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 45 6.319 -3.339 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.730 -0.708 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.530 -2.211 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.292 -2.352 -4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.415 -1.012 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.625 -2.990 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.171 -2.563 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.702 -4.301 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.089 -4.704 -4.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.812 -6.234 -3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.328 -5.353 -4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.921 -4.962 -3.401 1.00 0.00 H new ATOM 730 N ALA A 46 5.964 -1.645 -0.004 1.00 0.00 N ATOM 731 CA ALA A 46 5.859 -1.783 1.442 1.00 0.00 C ATOM 732 C ALA A 46 4.794 -2.796 1.790 1.00 0.00 C ATOM 733 O ALA A 46 4.919 -3.545 2.760 1.00 0.00 O ATOM 734 CB ALA A 46 5.544 -0.450 2.094 1.00 0.00 C ATOM 0 H ALA A 46 5.729 -0.717 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 46 6.820 -2.129 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.471 -0.581 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.338 0.262 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.597 -0.072 1.710 1.00 0.00 H new ATOM 740 N TYR A 47 3.734 -2.820 0.991 1.00 0.00 N ATOM 741 CA TYR A 47 2.666 -3.767 1.166 1.00 0.00 C ATOM 742 C TYR A 47 3.194 -5.189 0.999 1.00 0.00 C ATOM 743 O TYR A 47 3.044 -6.025 1.881 1.00 0.00 O ATOM 744 CB TYR A 47 1.544 -3.496 0.159 1.00 0.00 C ATOM 745 CG TYR A 47 0.425 -4.506 0.214 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.662 -4.327 1.056 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.462 -5.646 -0.575 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.678 -5.257 1.112 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.546 -6.579 -0.532 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.620 -6.383 0.313 1.00 0.00 C ATOM 751 OH TYR A 47 -2.625 -7.321 0.378 1.00 0.00 O ATOM 0 H TYR A 47 3.601 -2.180 0.208 1.00 0.00 H new ATOM 0 HA TYR A 47 2.262 -3.658 2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.135 -2.503 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.964 -3.487 -0.847 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.713 -3.445 1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.301 -5.804 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.515 -5.106 1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.498 -7.460 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.488 -7.893 1.162 1.00 0.00 H new ATOM 761 N CYS A 48 3.832 -5.452 -0.132 1.00 0.00 N ATOM 762 CA CYS A 48 4.369 -6.775 -0.424 1.00 0.00 C ATOM 763 C CYS A 48 5.383 -7.204 0.643 1.00 0.00 C ATOM 764 O CYS A 48 5.416 -8.365 1.062 1.00 0.00 O ATOM 765 CB CYS A 48 5.006 -6.797 -1.815 1.00 0.00 C ATOM 766 SG CYS A 48 3.951 -6.124 -3.111 1.00 0.00 S ATOM 0 H CYS A 48 3.992 -4.763 -0.867 1.00 0.00 H new ATOM 0 HA CYS A 48 3.545 -7.488 -0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.937 -6.230 -1.787 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.266 -7.825 -2.069 1.00 0.00 H new ATOM 0 HG CYS A 48 3.780 -4.850 -2.914 1.00 0.00 H new ATOM 772 N GLU A 49 6.196 -6.260 1.101 1.00 0.00 N ATOM 773 CA GLU A 49 7.182 -6.529 2.134 1.00 0.00 C ATOM 774 C GLU A 49 6.520 -7.023 3.423 1.00 0.00 C ATOM 775 O GLU A 49 6.864 -8.084 3.947 1.00 0.00 O ATOM 776 CB GLU A 49 7.999 -5.272 2.417 1.00 0.00 C ATOM 777 CG GLU A 49 8.847 -4.819 1.247 1.00 0.00 C ATOM 778 CD GLU A 49 9.793 -5.888 0.761 1.00 0.00 C ATOM 779 OE1 GLU A 49 10.561 -6.433 1.582 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.781 -6.188 -0.449 1.00 0.00 O ATOM 0 H GLU A 49 6.189 -5.296 0.769 1.00 0.00 H new ATOM 0 HA GLU A 49 7.842 -7.317 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.322 -4.465 2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.647 -5.456 3.274 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.195 -4.517 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.420 -3.939 1.539 1.00 0.00 H new ATOM 787 N ARG A 50 5.547 -6.272 3.913 1.00 0.00 N ATOM 788 CA ARG A 50 4.876 -6.598 5.172 1.00 0.00 C ATOM 789 C ARG A 50 3.976 -7.828 5.039 1.00 0.00 C ATOM 790 O ARG A 50 3.858 -8.627 5.962 1.00 0.00 O ATOM 791 CB ARG A 50 4.064 -5.395 5.657 1.00 0.00 C ATOM 792 CG ARG A 50 2.996 -4.946 4.684 1.00 0.00 C ATOM 793 CD ARG A 50 2.502 -3.561 5.019 1.00 0.00 C ATOM 794 NE ARG A 50 3.607 -2.624 5.215 1.00 0.00 N ATOM 795 CZ ARG A 50 3.718 -1.795 6.257 1.00 0.00 C ATOM 796 NH1 ARG A 50 2.798 -1.800 7.223 1.00 0.00 N ATOM 797 NH2 ARG A 50 4.760 -0.973 6.344 1.00 0.00 N ATOM 0 H ARG A 50 5.199 -5.427 3.459 1.00 0.00 H new ATOM 0 HA ARG A 50 5.645 -6.837 5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.594 -5.646 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.742 -4.563 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.396 -4.957 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.162 -5.648 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.858 -3.201 4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.894 -3.600 5.923 1.00 0.00 H new ATOM 0 HE ARG A 50 4.343 -2.602 4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.005 -2.439 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.888 -1.165 8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.474 -0.976 5.615 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.845 -0.340 7.139 1.00 0.00 H new ATOM 811 N GLN A 51 3.340 -7.974 3.888 1.00 0.00 N ATOM 812 CA GLN A 51 2.434 -9.094 3.632 1.00 0.00 C ATOM 813 C GLN A 51 3.175 -10.398 3.441 1.00 0.00 C ATOM 814 O GLN A 51 2.587 -11.472 3.531 1.00 0.00 O ATOM 815 CB GLN A 51 1.614 -8.817 2.386 1.00 0.00 C ATOM 816 CG GLN A 51 0.606 -7.717 2.550 1.00 0.00 C ATOM 817 CD GLN A 51 -0.565 -8.125 3.405 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.571 -8.621 2.899 1.00 0.00 O ATOM 819 NE2 GLN A 51 -0.439 -7.939 4.702 1.00 0.00 N ATOM 0 H GLN A 51 3.433 -7.326 3.106 1.00 0.00 H new ATOM 0 HA GLN A 51 1.790 -9.191 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.289 -8.559 1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.096 -9.730 2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.091 -6.849 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.245 -7.411 1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.414 -7.524 5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.194 -8.210 5.332 1.00 0.00 H new ATOM 828 N GLY A 52 4.462 -10.320 3.184 1.00 0.00 N ATOM 829 CA GLY A 52 5.197 -11.516 2.885 1.00 0.00 C ATOM 830 C GLY A 52 4.868 -11.971 1.484 1.00 0.00 C ATOM 831 O GLY A 52 4.774 -13.169 1.193 1.00 0.00 O ATOM 0 H GLY A 52 5.007 -9.458 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.267 -11.331 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.946 -12.298 3.601 1.00 0.00 H new ATOM 835 N LEU A 53 4.718 -10.995 0.603 1.00 0.00 N ATOM 836 CA LEU A 53 4.312 -11.207 -0.755 1.00 0.00 C ATOM 837 C LEU A 53 5.350 -10.625 -1.685 1.00 0.00 C ATOM 838 O LEU A 53 6.223 -9.872 -1.260 1.00 0.00 O ATOM 839 CB LEU A 53 2.968 -10.527 -0.993 1.00 0.00 C ATOM 840 CG LEU A 53 1.720 -11.397 -0.839 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.809 -12.299 0.373 1.00 0.00 C ATOM 842 CD2 LEU A 53 0.488 -10.526 -0.750 1.00 0.00 C ATOM 0 H LEU A 53 4.882 -10.014 0.829 1.00 0.00 H new ATOM 0 HA LEU A 53 4.215 -12.276 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.885 -9.688 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.971 -10.112 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 53 1.651 -12.035 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.903 -12.900 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.673 -12.956 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.915 -11.691 1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.395 -11.155 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.572 -9.865 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.398 -9.929 -1.658 1.00 0.00 H new ATOM 854 N SER A 54 5.283 -10.980 -2.938 1.00 0.00 N ATOM 855 CA SER A 54 6.206 -10.453 -3.914 1.00 0.00 C ATOM 856 C SER A 54 5.465 -9.807 -5.075 1.00 0.00 C ATOM 857 O SER A 54 4.301 -10.118 -5.328 1.00 0.00 O ATOM 858 CB SER A 54 7.123 -11.561 -4.404 1.00 0.00 C ATOM 859 OG SER A 54 7.992 -11.983 -3.364 1.00 0.00 O ATOM 0 H SER A 54 4.597 -11.635 -3.312 1.00 0.00 H new ATOM 0 HA SER A 54 6.811 -9.679 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.529 -12.405 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.707 -11.208 -5.254 1.00 0.00 H new ATOM 0 HG SER A 54 8.575 -12.698 -3.695 1.00 0.00 H new ATOM 865 N MET A 55 6.146 -8.915 -5.788 1.00 0.00 N ATOM 866 CA MET A 55 5.558 -8.213 -6.926 1.00 0.00 C ATOM 867 C MET A 55 5.138 -9.174 -8.036 1.00 0.00 C ATOM 868 O MET A 55 4.204 -8.910 -8.779 1.00 0.00 O ATOM 869 CB MET A 55 6.526 -7.161 -7.472 1.00 0.00 C ATOM 870 CG MET A 55 6.515 -5.880 -6.671 1.00 0.00 C ATOM 871 SD MET A 55 4.919 -5.056 -6.770 1.00 0.00 S ATOM 872 CE MET A 55 5.088 -3.868 -5.462 1.00 0.00 C ATOM 0 H MET A 55 7.114 -8.659 -5.596 1.00 0.00 H new ATOM 0 HA MET A 55 4.659 -7.713 -6.566 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.536 -7.572 -7.477 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.267 -6.939 -8.507 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.749 -6.099 -5.629 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.294 -5.212 -7.039 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.142 -3.778 -4.928 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.865 -4.196 -4.771 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.361 -2.900 -5.883 1.00 0.00 H new ATOM 882 N ARG A 56 5.844 -10.293 -8.160 1.00 0.00 N ATOM 883 CA ARG A 56 5.495 -11.306 -9.160 1.00 0.00 C ATOM 884 C ARG A 56 4.420 -12.235 -8.623 1.00 0.00 C ATOM 885 O ARG A 56 3.820 -13.015 -9.355 1.00 0.00 O ATOM 886 CB ARG A 56 6.718 -12.122 -9.587 1.00 0.00 C ATOM 887 CG ARG A 56 7.456 -12.786 -8.444 1.00 0.00 C ATOM 888 CD ARG A 56 8.758 -12.076 -8.155 1.00 0.00 C ATOM 889 NE ARG A 56 9.720 -12.251 -9.243 1.00 0.00 N ATOM 890 CZ ARG A 56 11.030 -12.025 -9.133 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.542 -11.612 -7.980 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.825 -12.213 -10.176 1.00 0.00 N ATOM 0 H ARG A 56 6.656 -10.524 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 56 5.114 -10.781 -10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.399 -12.889 -10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.409 -11.468 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.830 -12.783 -7.552 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.654 -13.829 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.568 -11.013 -8.004 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.184 -12.459 -7.227 1.00 0.00 H new ATOM 0 HE ARG A 56 9.366 -12.567 -10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.933 -11.467 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.544 -11.440 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.435 -12.531 -11.064 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.827 -12.040 -10.091 1.00 0.00 H new ATOM 906 N GLN A 57 4.197 -12.163 -7.328 1.00 0.00 N ATOM 907 CA GLN A 57 3.226 -13.005 -6.668 1.00 0.00 C ATOM 908 C GLN A 57 1.850 -12.360 -6.638 1.00 0.00 C ATOM 909 O GLN A 57 0.836 -13.042 -6.472 1.00 0.00 O ATOM 910 CB GLN A 57 3.694 -13.339 -5.242 1.00 0.00 C ATOM 911 CG GLN A 57 4.471 -14.650 -5.130 1.00 0.00 C ATOM 912 CD GLN A 57 5.697 -14.704 -6.017 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.790 -14.346 -5.604 1.00 0.00 O ATOM 914 NE2 GLN A 57 5.516 -15.135 -7.247 1.00 0.00 N ATOM 0 H GLN A 57 4.684 -11.519 -6.705 1.00 0.00 H new ATOM 0 HA GLN A 57 3.143 -13.928 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.321 -12.525 -4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.823 -13.388 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.776 -14.795 -4.094 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.810 -15.478 -5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.588 -15.425 -7.554 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.304 -15.179 -7.893 1.00 0.00 H new ATOM 923 N ILE A 58 1.800 -11.048 -6.795 1.00 0.00 N ATOM 924 CA ILE A 58 0.531 -10.320 -6.733 1.00 0.00 C ATOM 925 C ILE A 58 0.485 -9.176 -7.733 1.00 0.00 C ATOM 926 O ILE A 58 1.407 -8.974 -8.510 1.00 0.00 O ATOM 927 CB ILE A 58 0.285 -9.732 -5.320 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.283 -8.596 -5.036 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.385 -10.818 -4.265 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.207 -8.033 -3.634 1.00 0.00 C ATOM 0 H ILE A 58 2.617 -10.461 -6.966 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.245 -11.047 -6.975 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.724 -9.320 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.294 -8.964 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.109 -7.789 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.209 -10.386 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.362 -11.587 -4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.380 -11.263 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.944 -7.238 -3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.209 -7.631 -3.457 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.413 -8.824 -2.913 1.00 0.00 H new ATOM 942 N ARG A 59 -0.607 -8.430 -7.702 1.00 0.00 N ATOM 943 CA ARG A 59 -0.779 -7.258 -8.544 1.00 0.00 C ATOM 944 C ARG A 59 -1.801 -6.308 -7.946 1.00 0.00 C ATOM 945 O ARG A 59 -2.814 -6.739 -7.386 1.00 0.00 O ATOM 946 CB ARG A 59 -1.167 -7.636 -9.978 1.00 0.00 C ATOM 947 CG ARG A 59 0.000 -7.624 -10.966 1.00 0.00 C ATOM 948 CD ARG A 59 0.699 -6.264 -10.993 1.00 0.00 C ATOM 949 NE ARG A 59 1.696 -6.170 -12.065 1.00 0.00 N ATOM 950 CZ ARG A 59 2.912 -5.613 -11.935 1.00 0.00 C ATOM 951 NH1 ARG A 59 3.326 -5.154 -10.753 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.713 -5.529 -12.993 1.00 0.00 N ATOM 0 H ARG A 59 -1.401 -8.621 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 59 0.184 -6.749 -8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.613 -8.631 -9.972 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.933 -6.945 -10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.718 -8.397 -10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.365 -7.866 -11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.045 -5.478 -11.123 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.184 -6.088 -10.033 1.00 0.00 H new ATOM 0 HE ARG A 59 1.448 -6.556 -12.976 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.718 -5.224 -9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.251 -4.733 -10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.403 -5.886 -13.897 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.637 -5.107 -12.901 1.00 0.00 H new ATOM 966 N PHE A 60 -1.524 -5.016 -8.051 1.00 0.00 N ATOM 967 CA PHE A 60 -2.402 -3.981 -7.528 1.00 0.00 C ATOM 968 C PHE A 60 -3.285 -3.437 -8.645 1.00 0.00 C ATOM 969 O PHE A 60 -2.863 -3.343 -9.804 1.00 0.00 O ATOM 970 CB PHE A 60 -1.581 -2.838 -6.904 1.00 0.00 C ATOM 971 CG PHE A 60 -0.673 -3.270 -5.777 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.476 -4.001 -6.040 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.962 -2.940 -4.456 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.309 -4.399 -5.020 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.126 -3.339 -3.435 1.00 0.00 C ATOM 976 CZ PHE A 60 1.009 -4.067 -3.718 1.00 0.00 C ATOM 0 H PHE A 60 -0.683 -4.656 -8.502 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.031 -4.419 -6.753 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.978 -2.372 -7.683 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.265 -2.076 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.720 -4.261 -7.059 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.849 -2.367 -4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.198 -4.972 -5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.361 -3.081 -2.413 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.664 -4.378 -2.918 1.00 0.00 H new ATOM 986 N ARG A 61 -4.500 -3.080 -8.308 1.00 0.00 N ATOM 987 CA ARG A 61 -5.461 -2.589 -9.277 1.00 0.00 C ATOM 988 C ARG A 61 -6.319 -1.490 -8.672 1.00 0.00 C ATOM 989 O ARG A 61 -6.720 -1.564 -7.511 1.00 0.00 O ATOM 990 CB ARG A 61 -6.312 -3.773 -9.776 1.00 0.00 C ATOM 991 CG ARG A 61 -7.538 -3.428 -10.609 1.00 0.00 C ATOM 992 CD ARG A 61 -8.788 -3.334 -9.744 1.00 0.00 C ATOM 993 NE ARG A 61 -10.005 -3.587 -10.513 1.00 0.00 N ATOM 994 CZ ARG A 61 -11.236 -3.650 -9.986 1.00 0.00 C ATOM 995 NH1 ARG A 61 -11.426 -3.432 -8.687 1.00 0.00 N ATOM 996 NH2 ARG A 61 -12.275 -3.923 -10.761 1.00 0.00 N ATOM 0 H ARG A 61 -4.856 -3.120 -7.353 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.941 -2.149 -10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.672 -4.427 -10.367 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.640 -4.346 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.376 -2.480 -11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.682 -4.186 -11.379 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.719 -4.053 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.843 -2.343 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.911 -3.725 -11.519 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.632 -3.215 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.366 -3.482 -8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.138 -4.085 -11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.212 -3.971 -10.360 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.574 -0.455 -9.453 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.385 0.661 -9.020 1.00 0.00 C ATOM 1012 C PHE A 62 -8.218 1.165 -10.164 1.00 0.00 C ATOM 1013 O PHE A 62 -7.802 1.108 -11.297 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.524 1.802 -8.492 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.337 2.954 -7.998 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -8.049 2.836 -6.843 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.396 4.150 -8.698 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.804 3.880 -6.376 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.156 5.204 -8.229 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.861 5.061 -7.057 1.00 0.00 C ATOM 0 H PHE A 62 -6.222 -0.368 -10.406 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.029 0.309 -8.214 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.894 1.433 -7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.857 2.145 -9.283 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.018 1.909 -6.289 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.842 4.258 -9.619 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.361 3.767 -5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.196 6.133 -8.778 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.456 5.879 -6.678 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.404 1.657 -9.856 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.334 2.209 -10.861 1.00 0.00 C ATOM 1032 C ASP A 63 -10.655 1.171 -11.921 1.00 0.00 C ATOM 1033 O ASP A 63 -11.072 1.489 -13.030 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.684 3.420 -11.527 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.674 4.359 -12.190 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.364 5.102 -11.468 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.745 4.381 -13.438 1.00 0.00 O ATOM 0 H ASP A 63 -9.764 1.691 -8.902 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.259 2.499 -10.364 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.117 3.974 -10.779 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.971 3.073 -12.274 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.487 -0.079 -11.568 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.738 -1.135 -12.494 1.00 0.00 C ATOM 1044 C GLY A 64 -9.585 -1.353 -13.463 1.00 0.00 C ATOM 1045 O GLY A 64 -9.660 -2.202 -14.350 1.00 0.00 O ATOM 0 H GLY A 64 -10.177 -0.382 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.925 -2.058 -11.945 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.644 -0.911 -13.058 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.509 -0.600 -13.293 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.350 -0.713 -14.143 1.00 0.00 C ATOM 1051 C GLN A 65 -6.129 -1.107 -13.304 1.00 0.00 C ATOM 1052 O GLN A 65 -6.058 -0.791 -12.119 1.00 0.00 O ATOM 1053 CB GLN A 65 -7.094 0.620 -14.873 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.906 1.807 -13.941 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.718 3.121 -14.667 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -7.242 3.320 -15.764 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -5.966 4.020 -14.067 1.00 0.00 N ATOM 0 H GLN A 65 -8.422 0.104 -12.560 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.529 -1.486 -14.890 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.206 0.516 -15.497 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.931 0.824 -15.541 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.773 1.884 -13.285 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.040 1.625 -13.305 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.551 3.814 -13.158 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.798 4.923 -14.511 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.180 -1.825 -13.892 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.956 -2.223 -13.194 1.00 0.00 C ATOM 1068 C PRO A 66 -3.099 -1.013 -12.824 1.00 0.00 C ATOM 1069 O PRO A 66 -3.001 -0.048 -13.593 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.205 -3.095 -14.211 1.00 0.00 C ATOM 1071 CG PRO A 66 -4.181 -3.388 -15.304 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.222 -2.306 -15.269 1.00 0.00 C ATOM 0 HA PRO A 66 -4.179 -2.739 -12.260 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.329 -2.575 -14.599 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.850 -4.016 -13.748 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.680 -3.409 -16.272 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.638 -4.367 -15.160 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.995 -1.510 -15.978 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.208 -2.691 -15.528 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.493 -1.049 -11.646 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.620 0.028 -11.204 1.00 0.00 C ATOM 1082 C ILE A 67 -0.184 -0.290 -11.586 1.00 0.00 C ATOM 1083 O ILE A 67 0.223 -1.457 -11.589 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.690 0.223 -9.668 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.134 0.364 -9.200 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.883 1.441 -9.242 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.268 0.516 -7.701 1.00 0.00 C ATOM 0 H ILE A 67 -2.590 -1.814 -10.978 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.954 0.945 -11.689 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.260 -0.663 -9.201 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.583 1.230 -9.687 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.699 -0.511 -9.521 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.946 1.559 -8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.159 1.307 -9.532 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.283 2.331 -9.728 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.321 0.611 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.849 -0.361 -7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.731 1.407 -7.376 1.00 0.00 H new ATOM 1099 N ASN A 68 0.588 0.729 -11.906 1.00 0.00 N ATOM 1100 CA ASN A 68 1.976 0.532 -12.263 1.00 0.00 C ATOM 1101 C ASN A 68 2.846 1.144 -11.202 1.00 0.00 C ATOM 1102 O ASN A 68 2.375 1.870 -10.329 1.00 0.00 O ATOM 1103 CB ASN A 68 2.336 1.212 -13.592 1.00 0.00 C ATOM 1104 CG ASN A 68 1.233 1.223 -14.605 1.00 0.00 C ATOM 1105 OD1 ASN A 68 1.087 0.295 -15.401 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.471 2.290 -14.608 1.00 0.00 N ATOM 0 H ASN A 68 0.277 1.700 -11.926 1.00 0.00 H new ATOM 0 HA ASN A 68 2.135 -0.542 -12.358 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.636 2.240 -13.389 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.201 0.706 -14.021 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.282 2.377 -15.290 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.631 3.033 -13.928 1.00 0.00 H new ATOM 1113 N GLU A 69 4.123 0.881 -11.282 1.00 0.00 N ATOM 1114 CA GLU A 69 5.075 1.476 -10.370 1.00 0.00 C ATOM 1115 C GLU A 69 5.322 2.936 -10.759 1.00 0.00 C ATOM 1116 O GLU A 69 5.869 3.726 -9.985 1.00 0.00 O ATOM 1117 CB GLU A 69 6.379 0.682 -10.398 1.00 0.00 C ATOM 1118 CG GLU A 69 6.961 0.515 -11.792 1.00 0.00 C ATOM 1119 CD GLU A 69 8.160 -0.392 -11.816 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.286 0.111 -11.658 1.00 0.00 O ATOM 1121 OE2 GLU A 69 7.984 -1.620 -12.002 1.00 0.00 O ATOM 0 H GLU A 69 4.535 0.254 -11.973 1.00 0.00 H new ATOM 0 HA GLU A 69 4.674 1.451 -9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.112 1.182 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.204 -0.303 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.195 0.115 -12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.242 1.493 -12.183 1.00 0.00 H new ATOM 1128 N THR A 70 4.920 3.283 -11.973 1.00 0.00 N ATOM 1129 CA THR A 70 5.067 4.625 -12.498 1.00 0.00 C ATOM 1130 C THR A 70 3.813 5.451 -12.262 1.00 0.00 C ATOM 1131 O THR A 70 3.721 6.604 -12.678 1.00 0.00 O ATOM 1132 CB THR A 70 5.369 4.570 -14.000 1.00 0.00 C ATOM 1133 OG1 THR A 70 4.444 3.673 -14.637 1.00 0.00 O ATOM 1134 CG2 THR A 70 6.786 4.081 -14.240 1.00 0.00 C ATOM 0 H THR A 70 4.479 2.633 -12.624 1.00 0.00 H new ATOM 0 HA THR A 70 5.895 5.101 -11.973 1.00 0.00 H new ATOM 0 HB THR A 70 5.267 5.572 -14.417 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.633 3.636 -15.598 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.983 4.048 -15.312 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.491 4.761 -13.762 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.902 3.082 -13.819 1.00 0.00 H new ATOM 1142 N ASP A 71 2.856 4.869 -11.571 1.00 0.00 N ATOM 1143 CA ASP A 71 1.603 5.539 -11.286 1.00 0.00 C ATOM 1144 C ASP A 71 1.716 6.473 -10.085 1.00 0.00 C ATOM 1145 O ASP A 71 2.413 6.183 -9.104 1.00 0.00 O ATOM 1146 CB ASP A 71 0.502 4.525 -11.025 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.232 4.122 -12.270 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -0.148 4.848 -13.283 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.889 3.067 -12.253 1.00 0.00 O ATOM 0 H ASP A 71 2.923 3.924 -11.193 1.00 0.00 H new ATOM 0 HA ASP A 71 1.356 6.135 -12.164 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.935 3.638 -10.562 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.208 4.943 -10.311 1.00 0.00 H new ATOM 1154 N THR A 72 1.050 7.605 -10.177 1.00 0.00 N ATOM 1155 CA THR A 72 0.957 8.544 -9.080 1.00 0.00 C ATOM 1156 C THR A 72 -0.501 8.668 -8.640 1.00 0.00 C ATOM 1157 O THR A 72 -1.395 8.723 -9.480 1.00 0.00 O ATOM 1158 CB THR A 72 1.500 9.927 -9.480 1.00 0.00 C ATOM 1159 OG1 THR A 72 1.573 10.025 -10.908 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.872 10.161 -8.874 1.00 0.00 C ATOM 0 H THR A 72 0.556 7.901 -11.019 1.00 0.00 H new ATOM 0 HA THR A 72 1.564 8.170 -8.255 1.00 0.00 H new ATOM 0 HB THR A 72 0.821 10.690 -9.100 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.918 10.908 -11.158 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.237 11.145 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.803 10.111 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.562 9.396 -9.229 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.754 8.734 -7.320 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.116 8.764 -6.765 1.00 0.00 C ATOM 1170 C PRO A 73 -2.959 9.913 -7.308 1.00 0.00 C ATOM 1171 O PRO A 73 -4.176 9.786 -7.488 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.895 8.928 -5.252 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.479 9.370 -5.104 1.00 0.00 C ATOM 1174 CD PRO A 73 0.263 8.807 -6.271 1.00 0.00 C ATOM 0 HA PRO A 73 -2.670 7.864 -7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.582 9.663 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.071 7.990 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.411 10.458 -5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.056 9.011 -4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.096 9.446 -6.563 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.679 7.825 -6.046 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.313 11.032 -7.588 1.00 0.00 N ATOM 1183 CA ALA A 74 -3.003 12.204 -8.092 1.00 0.00 C ATOM 1184 C ALA A 74 -3.523 11.986 -9.505 1.00 0.00 C ATOM 1185 O ALA A 74 -4.527 12.575 -9.908 1.00 0.00 O ATOM 1186 CB ALA A 74 -2.089 13.408 -8.045 1.00 0.00 C ATOM 0 H ALA A 74 -1.307 11.152 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.865 12.385 -7.450 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.618 14.282 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.781 13.591 -7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.209 13.221 -8.660 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.854 11.125 -10.254 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.241 10.836 -11.628 1.00 0.00 C ATOM 1194 C GLN A 75 -4.602 10.161 -11.688 1.00 0.00 C ATOM 1195 O GLN A 75 -5.405 10.438 -12.574 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.186 9.963 -12.303 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.930 10.717 -12.706 1.00 0.00 C ATOM 1198 CD GLN A 75 -1.193 11.770 -13.766 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -1.131 11.489 -14.960 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.479 12.984 -13.346 1.00 0.00 N ATOM 0 H GLN A 75 -2.034 10.610 -9.932 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.312 11.783 -12.163 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.911 9.154 -11.627 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.622 9.503 -13.190 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.499 11.194 -11.825 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.190 10.009 -13.079 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.522 13.181 -12.346 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.658 13.728 -14.020 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.871 9.285 -10.734 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.135 8.581 -10.695 1.00 0.00 C ATOM 1211 C LEU A 76 -7.123 9.336 -9.815 1.00 0.00 C ATOM 1212 O LEU A 76 -8.221 8.850 -9.536 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.938 7.150 -10.177 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.628 6.469 -10.592 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.587 6.622 -9.500 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.844 5.001 -10.914 1.00 0.00 C ATOM 0 H LEU A 76 -4.229 9.047 -9.978 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.537 8.525 -11.707 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.989 7.167 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.771 6.539 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.268 6.959 -11.497 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.662 6.134 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.397 7.681 -9.324 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.952 6.161 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.896 4.549 -11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.236 4.489 -10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.556 4.909 -11.734 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.703 10.551 -9.381 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.494 11.455 -8.514 1.00 0.00 C ATOM 1230 C GLU A 77 -8.180 10.716 -7.376 1.00 0.00 C ATOM 1231 O GLU A 77 -9.317 11.017 -7.003 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.502 12.295 -9.323 1.00 0.00 C ATOM 1233 CG GLU A 77 -9.457 11.502 -10.196 1.00 0.00 C ATOM 1234 CD GLU A 77 -10.475 12.377 -10.870 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -10.072 13.346 -11.546 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -11.683 12.110 -10.715 1.00 0.00 O ATOM 0 H GLU A 77 -5.791 10.934 -9.629 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.780 12.144 -8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.087 12.898 -8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.947 12.987 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.889 10.960 -10.953 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.968 10.757 -9.587 1.00 0.00 H new ATOM 1243 N MET A 78 -7.475 9.774 -6.799 1.00 0.00 N ATOM 1244 CA MET A 78 -8.008 8.968 -5.729 1.00 0.00 C ATOM 1245 C MET A 78 -8.081 9.772 -4.425 1.00 0.00 C ATOM 1246 O MET A 78 -7.365 10.759 -4.247 1.00 0.00 O ATOM 1247 CB MET A 78 -7.162 7.708 -5.569 1.00 0.00 C ATOM 1248 CG MET A 78 -5.761 7.960 -5.055 1.00 0.00 C ATOM 1249 SD MET A 78 -4.555 6.785 -5.713 1.00 0.00 S ATOM 1250 CE MET A 78 -5.369 5.227 -5.387 1.00 0.00 C ATOM 0 H MET A 78 -6.515 9.545 -7.058 1.00 0.00 H new ATOM 0 HA MET A 78 -9.026 8.669 -5.976 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.670 7.028 -4.886 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.098 7.203 -6.533 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.458 8.973 -5.320 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.762 7.902 -3.967 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.640 4.418 -5.435 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.818 5.252 -4.394 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.146 5.059 -6.133 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.944 9.349 -3.524 1.00 0.00 N ATOM 1261 CA GLU A 79 -9.164 10.055 -2.269 1.00 0.00 C ATOM 1262 C GLU A 79 -8.472 9.327 -1.137 1.00 0.00 C ATOM 1263 O GLU A 79 -8.134 8.149 -1.267 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.663 10.118 -1.972 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.268 8.751 -1.679 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.773 8.780 -1.520 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.479 9.084 -2.506 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.257 8.493 -0.413 1.00 0.00 O ATOM 0 H GLU A 79 -9.513 8.510 -3.636 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.759 11.063 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.832 10.775 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.178 10.563 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.009 8.067 -2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.822 8.352 -0.768 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.220 10.016 -0.034 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.670 9.376 1.146 1.00 0.00 C ATOM 1277 C ASP A 80 -8.566 8.244 1.621 1.00 0.00 C ATOM 1278 O ASP A 80 -9.795 8.329 1.553 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.460 10.393 2.281 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.751 11.052 2.742 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.359 11.812 1.950 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.162 10.821 3.894 1.00 0.00 O ATOM 0 H ASP A 80 -8.388 11.017 0.066 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.701 8.960 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.993 9.891 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.766 11.164 1.946 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.929 7.178 2.075 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.586 5.977 2.566 1.00 0.00 C ATOM 1289 C GLU A 81 -9.145 5.153 1.436 1.00 0.00 C ATOM 1290 O GLU A 81 -10.020 4.306 1.642 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.672 6.280 3.592 1.00 0.00 C ATOM 1292 CG GLU A 81 -9.144 6.674 4.946 1.00 0.00 C ATOM 1293 CD GLU A 81 -10.038 6.174 6.045 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.921 4.984 6.419 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.880 6.951 6.529 1.00 0.00 O ATOM 0 H GLU A 81 -6.911 7.122 2.114 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.816 5.395 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.303 7.084 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.308 5.401 3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.140 6.271 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.062 7.759 5.006 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.651 5.388 0.235 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.081 4.602 -0.911 1.00 0.00 C ATOM 1304 C ASP A 82 -8.675 3.136 -0.744 1.00 0.00 C ATOM 1305 O ASP A 82 -7.680 2.834 -0.094 1.00 0.00 O ATOM 1306 CB ASP A 82 -8.514 5.155 -2.209 1.00 0.00 C ATOM 1307 CG ASP A 82 -8.759 4.211 -3.325 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -9.931 4.099 -3.752 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -7.805 3.550 -3.754 1.00 0.00 O ATOM 0 H ASP A 82 -7.959 6.108 0.026 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.168 4.665 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.973 6.118 -2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.444 5.329 -2.100 1.00 0.00 H new ATOM 1314 N THR A 83 -9.458 2.226 -1.316 1.00 0.00 N ATOM 1315 CA THR A 83 -9.178 0.806 -1.211 1.00 0.00 C ATOM 1316 C THR A 83 -8.583 0.237 -2.511 1.00 0.00 C ATOM 1317 O THR A 83 -9.248 0.178 -3.553 1.00 0.00 O ATOM 1318 CB THR A 83 -10.450 0.021 -0.844 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.073 0.631 0.294 1.00 0.00 O ATOM 1320 CG2 THR A 83 -10.118 -1.428 -0.519 1.00 0.00 C ATOM 0 H THR A 83 -10.292 2.452 -1.857 1.00 0.00 H new ATOM 0 HA THR A 83 -8.439 0.691 -0.418 1.00 0.00 H new ATOM 0 HB THR A 83 -11.127 0.040 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.884 0.134 0.529 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.033 -1.962 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.654 -1.898 -1.386 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.429 -1.463 0.325 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.333 -0.188 -2.432 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.633 -0.785 -3.551 1.00 0.00 C ATOM 1330 C ILE A 84 -6.981 -2.267 -3.638 1.00 0.00 C ATOM 1331 O ILE A 84 -7.177 -2.932 -2.615 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.097 -0.638 -3.400 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.711 0.831 -3.170 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.385 -1.191 -4.635 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.856 1.703 -4.383 1.00 0.00 C ATOM 0 H ILE A 84 -6.773 -0.127 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.945 -0.266 -4.458 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.782 -1.214 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.329 1.236 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.677 0.874 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.307 -1.081 -4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.630 -2.246 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.709 -0.641 -5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.563 2.723 -4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.216 1.326 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.894 1.694 -4.716 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.062 -2.781 -4.845 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.397 -4.176 -5.066 1.00 0.00 C ATOM 1349 C ASP A 85 -6.159 -4.989 -5.410 1.00 0.00 C ATOM 1350 O ASP A 85 -5.505 -4.738 -6.415 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.396 -4.292 -6.206 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.732 -3.668 -5.899 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.500 -4.261 -5.116 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -10.036 -2.592 -6.460 1.00 0.00 O ATOM 0 H ASP A 85 -6.899 -2.249 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.830 -4.567 -4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.978 -3.819 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.542 -5.345 -6.445 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.816 -5.945 -4.568 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.691 -6.831 -4.842 1.00 0.00 C ATOM 1361 C VAL A 86 -5.160 -8.256 -5.079 1.00 0.00 C ATOM 1362 O VAL A 86 -5.976 -8.797 -4.326 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.653 -6.815 -3.696 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.572 -7.862 -3.917 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -3.031 -5.454 -3.589 1.00 0.00 C ATOM 0 H VAL A 86 -6.297 -6.131 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.212 -6.456 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.171 -7.053 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.857 -7.826 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.027 -8.852 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.056 -7.660 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.301 -5.450 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.534 -5.206 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.805 -4.715 -3.382 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.621 -8.874 -6.105 1.00 0.00 N ATOM 1376 CA PHE A 87 -4.971 -10.234 -6.463 1.00 0.00 C ATOM 1377 C PHE A 87 -3.709 -11.038 -6.719 1.00 0.00 C ATOM 1378 O PHE A 87 -2.653 -10.468 -7.032 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.909 -10.263 -7.679 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.503 -9.347 -8.797 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.917 -8.029 -8.805 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.718 -9.804 -9.840 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.557 -7.184 -9.825 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.355 -8.961 -10.870 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.774 -7.647 -10.862 1.00 0.00 C ATOM 0 H PHE A 87 -3.925 -8.449 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.510 -10.689 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.958 -11.283 -8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.914 -9.996 -7.354 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.532 -7.659 -7.998 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.386 -10.832 -9.848 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.887 -6.156 -9.816 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.744 -9.329 -11.681 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.490 -6.983 -11.665 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.795 -12.351 -6.564 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.647 -13.225 -6.709 1.00 0.00 C ATOM 1397 C GLN A 88 -2.262 -13.432 -8.182 1.00 0.00 C ATOM 1398 O GLN A 88 -3.106 -13.694 -9.035 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.953 -14.572 -6.062 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.727 -15.332 -5.617 1.00 0.00 C ATOM 1401 CD GLN A 88 -1.257 -14.930 -4.230 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -1.686 -15.496 -3.231 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -0.362 -13.967 -4.162 1.00 0.00 N ATOM 0 H GLN A 88 -4.662 -12.837 -6.335 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.800 -12.751 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.601 -14.411 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.511 -15.185 -6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.944 -16.400 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.921 -15.164 -6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.029 -13.519 -5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.002 -13.669 -3.256 1.00 0.00 H new ATOM 1412 N GLN A 89 -0.978 -13.285 -8.466 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.445 -13.486 -9.816 1.00 0.00 C ATOM 1414 C GLN A 89 0.509 -14.674 -9.888 1.00 0.00 C ATOM 1415 O GLN A 89 1.173 -14.890 -10.903 1.00 0.00 O ATOM 1416 CB GLN A 89 0.260 -12.225 -10.301 1.00 0.00 C ATOM 1417 CG GLN A 89 -0.679 -11.073 -10.591 1.00 0.00 C ATOM 1418 CD GLN A 89 -1.653 -11.379 -11.712 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -1.369 -11.134 -12.880 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -2.805 -11.906 -11.363 1.00 0.00 N ATOM 0 H GLN A 89 -0.274 -13.024 -7.776 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.292 -13.703 -10.466 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.983 -11.912 -9.548 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.823 -12.459 -11.205 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.237 -10.828 -9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.095 -10.191 -10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.003 -12.095 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.501 -12.126 -12.075 1.00 0.00 H new