USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 25 GLN : amide:sc= 0.251 K(o=-2.1,f=-3.7) USER MOD Set 1.2: A 88 GLN : amide:sc= -2.33! C(o=-2.1!,f=-3.7!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=0) USER MOD Single : A 19 ASN : amide:sc= -4.02! C(o=-4!,f=-9.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 85:sc= 0.974 USER MOD Single : A 31 GLN : amide:sc= -4.36! C(o=-4.4!,f=-8.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= -0.0151 (180deg=-0.139) USER MOD Single : A 37 HIS : no HD1:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -120:sc= -0.0306 (180deg=-1.58) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.12) USER MOD Single : A 47 TYR OH : rot -3:sc= 1.25 USER MOD Single : A 48 CYS SG : rot 148:sc= -5.12! USER MOD Single : A 51 GLN : amide:sc= -2.21 K(o=-2.2,f=-3.7!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 169:sc= -2.28 (180deg=-2.41!) USER MOD Single : A 57 GLN : amide:sc= -5.8! K(o=-5.8!,f=-0.36) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 68 ASN : amide:sc= -5.16! C(o=-5.2!,f=-2.7!) USER MOD Single : A 70 THR OG1 : rot -28:sc= 0.612 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.61) USER MOD Single : A 78 MET CE :methyl -158:sc= -1.52 (180deg=-1.72) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -3.247 12.755 8.373 1.00 0.00 N ATOM 243 CA HIS A 17 -3.050 11.439 7.809 1.00 0.00 C ATOM 244 C HIS A 17 -4.368 10.880 7.310 1.00 0.00 C ATOM 245 O HIS A 17 -5.425 11.202 7.844 1.00 0.00 O ATOM 246 CB HIS A 17 -2.422 10.481 8.853 1.00 0.00 C ATOM 247 CG HIS A 17 -3.376 9.982 9.915 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.554 10.606 11.129 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.196 8.901 9.932 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.436 9.937 11.843 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.842 8.900 11.141 1.00 0.00 N ATOM 0 HA HIS A 17 -2.362 11.526 6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.002 9.622 8.330 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.593 10.993 9.342 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.317 8.176 9.140 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.770 10.196 12.837 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.526 8.208 11.447 1.00 0.00 H new ATOM 260 N ILE A 18 -4.314 10.051 6.299 1.00 0.00 N ATOM 261 CA ILE A 18 -5.501 9.418 5.773 1.00 0.00 C ATOM 262 C ILE A 18 -5.335 7.914 5.783 1.00 0.00 C ATOM 263 O ILE A 18 -4.232 7.397 5.988 1.00 0.00 O ATOM 264 CB ILE A 18 -5.844 9.889 4.342 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.627 9.761 3.425 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.366 11.316 4.358 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.941 9.986 1.963 1.00 0.00 C ATOM 0 H ILE A 18 -3.452 9.795 5.818 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.328 9.710 6.420 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.631 9.246 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.869 10.479 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.195 8.768 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.602 11.629 3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.266 11.367 4.971 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.605 11.977 4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.030 9.879 1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.675 9.252 1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.345 10.989 1.828 1.00 0.00 H new ATOM 279 N ASN A 19 -6.413 7.206 5.572 1.00 0.00 N ATOM 280 CA ASN A 19 -6.377 5.764 5.585 1.00 0.00 C ATOM 281 C ASN A 19 -6.495 5.227 4.175 1.00 0.00 C ATOM 282 O ASN A 19 -7.431 5.553 3.456 1.00 0.00 O ATOM 283 CB ASN A 19 -7.504 5.200 6.466 1.00 0.00 C ATOM 284 CG ASN A 19 -8.106 6.238 7.403 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.521 6.601 8.415 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.287 6.693 7.083 1.00 0.00 N ATOM 0 H ASN A 19 -7.333 7.606 5.388 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.423 5.447 6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.290 4.797 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.115 4.369 7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.752 7.373 7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.745 6.368 6.232 1.00 0.00 H new ATOM 293 N LEU A 20 -5.536 4.428 3.773 1.00 0.00 N ATOM 294 CA LEU A 20 -5.534 3.824 2.455 1.00 0.00 C ATOM 295 C LEU A 20 -5.582 2.320 2.596 1.00 0.00 C ATOM 296 O LEU A 20 -4.750 1.721 3.283 1.00 0.00 O ATOM 297 CB LEU A 20 -4.282 4.222 1.648 1.00 0.00 C ATOM 298 CG LEU A 20 -4.161 5.699 1.245 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.475 6.224 0.696 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.675 6.547 2.405 1.00 0.00 C ATOM 0 H LEU A 20 -4.732 4.176 4.348 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.410 4.184 1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.402 3.956 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.256 3.619 0.741 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.417 5.767 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.361 7.272 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.760 5.645 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.250 6.133 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.599 7.587 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.380 6.470 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.696 6.194 2.728 1.00 0.00 H new ATOM 312 N LYS A 21 -6.543 1.699 1.971 1.00 0.00 N ATOM 313 CA LYS A 21 -6.680 0.269 2.054 1.00 0.00 C ATOM 314 C LYS A 21 -6.229 -0.394 0.772 1.00 0.00 C ATOM 315 O LYS A 21 -6.489 0.095 -0.314 1.00 0.00 O ATOM 316 CB LYS A 21 -8.114 -0.107 2.377 1.00 0.00 C ATOM 317 CG LYS A 21 -8.391 -1.594 2.300 1.00 0.00 C ATOM 318 CD LYS A 21 -9.694 -1.942 2.964 1.00 0.00 C ATOM 319 CE LYS A 21 -10.855 -1.186 2.335 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.158 -1.559 2.936 1.00 0.00 N ATOM 0 H LYS A 21 -7.247 2.162 1.396 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.038 -0.089 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.355 0.246 3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.780 0.413 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.417 -1.908 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.579 -2.143 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.870 -3.015 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.637 -1.707 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.695 -0.114 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.880 -1.388 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.919 -1.019 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.324 -2.577 2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.146 -1.343 3.953 1.00 0.00 H new ATOM 334 N VAL A 22 -5.562 -1.511 0.897 1.00 0.00 N ATOM 335 CA VAL A 22 -5.060 -2.222 -0.254 1.00 0.00 C ATOM 336 C VAL A 22 -5.825 -3.515 -0.435 1.00 0.00 C ATOM 337 O VAL A 22 -5.880 -4.345 0.468 1.00 0.00 O ATOM 338 CB VAL A 22 -3.555 -2.537 -0.121 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.036 -3.186 -1.387 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.771 -1.274 0.194 1.00 0.00 C ATOM 0 H VAL A 22 -5.351 -1.953 1.792 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.198 -1.579 -1.123 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.421 -3.237 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.973 -3.401 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.577 -4.114 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.183 -2.510 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.712 -1.516 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.911 -0.549 -0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.127 -0.849 1.133 1.00 0.00 H new ATOM 350 N ALA A 23 -6.404 -3.692 -1.601 1.00 0.00 N ATOM 351 CA ALA A 23 -7.194 -4.866 -1.892 1.00 0.00 C ATOM 352 C ALA A 23 -6.740 -5.502 -3.181 1.00 0.00 C ATOM 353 O ALA A 23 -6.627 -4.847 -4.216 1.00 0.00 O ATOM 354 CB ALA A 23 -8.672 -4.524 -1.960 1.00 0.00 C ATOM 0 H ALA A 23 -6.341 -3.028 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.049 -5.580 -1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.244 -5.425 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.995 -4.114 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.839 -3.787 -2.745 1.00 0.00 H new ATOM 360 N GLY A 24 -6.472 -6.771 -3.127 1.00 0.00 N ATOM 361 CA GLY A 24 -6.033 -7.467 -4.301 1.00 0.00 C ATOM 362 C GLY A 24 -7.107 -8.349 -4.855 1.00 0.00 C ATOM 363 O GLY A 24 -7.928 -8.874 -4.106 1.00 0.00 O ATOM 0 H GLY A 24 -6.549 -7.345 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.727 -6.746 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.156 -8.068 -4.061 1.00 0.00 H new ATOM 367 N GLN A 25 -7.116 -8.534 -6.171 1.00 0.00 N ATOM 368 CA GLN A 25 -8.108 -9.395 -6.823 1.00 0.00 C ATOM 369 C GLN A 25 -8.011 -10.865 -6.361 1.00 0.00 C ATOM 370 O GLN A 25 -8.829 -11.704 -6.733 1.00 0.00 O ATOM 371 CB GLN A 25 -8.041 -9.285 -8.364 1.00 0.00 C ATOM 372 CG GLN A 25 -6.633 -9.202 -8.969 1.00 0.00 C ATOM 373 CD GLN A 25 -5.715 -10.322 -8.528 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.697 -11.394 -9.118 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.912 -10.059 -7.515 1.00 0.00 N ATOM 0 H GLN A 25 -6.450 -8.101 -6.811 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.085 -9.028 -6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.550 -10.148 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.600 -8.401 -8.671 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.713 -9.216 -10.056 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.185 -8.247 -8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.958 -9.153 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.245 -10.762 -7.197 1.00 0.00 H new ATOM 384 N ASP A 26 -7.006 -11.155 -5.554 1.00 0.00 N ATOM 385 CA ASP A 26 -6.803 -12.481 -4.980 1.00 0.00 C ATOM 386 C ASP A 26 -7.676 -12.656 -3.742 1.00 0.00 C ATOM 387 O ASP A 26 -7.869 -13.759 -3.239 1.00 0.00 O ATOM 388 CB ASP A 26 -5.325 -12.647 -4.603 1.00 0.00 C ATOM 389 CG ASP A 26 -5.046 -13.889 -3.779 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.943 -14.992 -4.364 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.924 -13.770 -2.542 1.00 0.00 O ATOM 0 H ASP A 26 -6.300 -10.474 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.081 -13.238 -5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.728 -12.684 -5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.000 -11.769 -4.044 1.00 0.00 H new ATOM 396 N GLY A 27 -8.234 -11.563 -3.274 1.00 0.00 N ATOM 397 CA GLY A 27 -9.031 -11.599 -2.069 1.00 0.00 C ATOM 398 C GLY A 27 -8.261 -11.091 -0.874 1.00 0.00 C ATOM 399 O GLY A 27 -8.822 -10.872 0.201 1.00 0.00 O ATOM 0 H GLY A 27 -8.152 -10.643 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.928 -10.995 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.361 -12.621 -1.882 1.00 0.00 H new ATOM 403 N SER A 28 -6.970 -10.898 -1.055 1.00 0.00 N ATOM 404 CA SER A 28 -6.116 -10.400 -0.002 1.00 0.00 C ATOM 405 C SER A 28 -6.290 -8.895 0.140 1.00 0.00 C ATOM 406 O SER A 28 -6.060 -8.137 -0.809 1.00 0.00 O ATOM 407 CB SER A 28 -4.658 -10.751 -0.304 1.00 0.00 C ATOM 408 OG SER A 28 -4.465 -12.161 -0.317 1.00 0.00 O ATOM 0 H SER A 28 -6.487 -11.082 -1.934 1.00 0.00 H new ATOM 0 HA SER A 28 -6.396 -10.869 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.372 -10.332 -1.269 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.009 -10.298 0.445 1.00 0.00 H new ATOM 0 HG SER A 28 -4.690 -12.514 -1.203 1.00 0.00 H new ATOM 414 N VAL A 29 -6.716 -8.452 1.306 1.00 0.00 N ATOM 415 CA VAL A 29 -6.945 -7.043 1.531 1.00 0.00 C ATOM 416 C VAL A 29 -6.602 -6.633 2.969 1.00 0.00 C ATOM 417 O VAL A 29 -6.857 -7.369 3.924 1.00 0.00 O ATOM 418 CB VAL A 29 -8.407 -6.651 1.165 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.414 -7.529 1.875 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.674 -5.188 1.453 1.00 0.00 C ATOM 0 H VAL A 29 -6.910 -9.049 2.110 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.273 -6.493 0.872 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.523 -6.811 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.423 -7.226 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.255 -8.569 1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.290 -7.426 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.703 -4.947 1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.518 -4.992 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.993 -4.571 0.866 1.00 0.00 H new ATOM 430 N VAL A 30 -6.008 -5.445 3.113 1.00 0.00 N ATOM 431 CA VAL A 30 -5.569 -4.911 4.412 1.00 0.00 C ATOM 432 C VAL A 30 -5.719 -3.388 4.406 1.00 0.00 C ATOM 433 O VAL A 30 -5.628 -2.759 3.353 1.00 0.00 O ATOM 434 CB VAL A 30 -4.078 -5.263 4.726 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.692 -4.796 6.122 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.815 -6.751 4.584 1.00 0.00 C ATOM 0 H VAL A 30 -5.816 -4.821 2.329 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.193 -5.367 5.180 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.461 -4.738 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.651 -5.052 6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.819 -3.716 6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.330 -5.285 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.769 -6.959 4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.452 -7.301 5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.035 -7.064 3.563 1.00 0.00 H new ATOM 446 N GLN A 31 -5.945 -2.793 5.565 1.00 0.00 N ATOM 447 CA GLN A 31 -6.122 -1.353 5.662 1.00 0.00 C ATOM 448 C GLN A 31 -4.924 -0.716 6.374 1.00 0.00 C ATOM 449 O GLN A 31 -4.376 -1.282 7.321 1.00 0.00 O ATOM 450 CB GLN A 31 -7.438 -1.036 6.385 1.00 0.00 C ATOM 451 CG GLN A 31 -7.785 0.445 6.447 1.00 0.00 C ATOM 452 CD GLN A 31 -7.155 1.180 7.633 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.849 2.359 7.546 1.00 0.00 O ATOM 454 NE2 GLN A 31 -6.978 0.489 8.749 1.00 0.00 N ATOM 0 H GLN A 31 -6.011 -3.287 6.455 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.175 -0.928 4.659 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.249 -1.565 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.382 -1.426 7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.462 0.923 5.522 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.868 0.553 6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.245 -0.495 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.575 0.941 9.570 1.00 0.00 H new ATOM 463 N PHE A 32 -4.505 0.458 5.905 1.00 0.00 N ATOM 464 CA PHE A 32 -3.342 1.153 6.471 1.00 0.00 C ATOM 465 C PHE A 32 -3.630 2.642 6.635 1.00 0.00 C ATOM 466 O PHE A 32 -4.438 3.211 5.916 1.00 0.00 O ATOM 467 CB PHE A 32 -2.108 0.987 5.559 1.00 0.00 C ATOM 468 CG PHE A 32 -1.830 -0.426 5.138 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.543 -0.994 4.100 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.858 -1.186 5.775 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.307 -2.280 3.704 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.615 -2.483 5.379 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.341 -3.031 4.342 1.00 0.00 C ATOM 0 H PHE A 32 -4.952 0.952 5.133 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.139 0.710 7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.247 1.598 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.233 1.377 6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.299 -0.412 3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.289 -0.757 6.586 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.876 -2.709 2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.142 -3.069 5.879 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.153 -4.048 4.029 1.00 0.00 H new ATOM 483 N LYS A 33 -2.956 3.275 7.573 1.00 0.00 N ATOM 484 CA LYS A 33 -3.109 4.705 7.803 1.00 0.00 C ATOM 485 C LYS A 33 -1.758 5.399 7.720 1.00 0.00 C ATOM 486 O LYS A 33 -0.876 5.165 8.548 1.00 0.00 O ATOM 487 CB LYS A 33 -3.751 4.967 9.169 1.00 0.00 C ATOM 488 CG LYS A 33 -5.243 4.711 9.210 1.00 0.00 C ATOM 489 CD LYS A 33 -5.797 4.891 10.611 1.00 0.00 C ATOM 490 CE LYS A 33 -7.265 4.513 10.674 1.00 0.00 C ATOM 491 NZ LYS A 33 -7.875 4.877 11.978 1.00 0.00 N ATOM 0 H LYS A 33 -2.289 2.820 8.197 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.763 5.109 7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.265 4.337 9.914 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.563 6.002 9.455 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.750 5.392 8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.450 3.699 8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.230 4.276 11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.672 5.928 10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.804 5.013 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.371 3.441 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.878 4.602 11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.378 4.380 12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.797 5.904 12.123 1.00 0.00 H new ATOM 505 N ILE A 34 -1.584 6.243 6.717 1.00 0.00 N ATOM 506 CA ILE A 34 -0.324 6.956 6.528 1.00 0.00 C ATOM 507 C ILE A 34 -0.567 8.451 6.407 1.00 0.00 C ATOM 508 O ILE A 34 -1.710 8.902 6.325 1.00 0.00 O ATOM 509 CB ILE A 34 0.448 6.469 5.277 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.401 6.643 4.019 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.878 5.015 5.444 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.348 6.373 2.738 1.00 0.00 C ATOM 0 H ILE A 34 -2.297 6.454 6.019 1.00 0.00 H new ATOM 0 HA ILE A 34 0.285 6.746 7.408 1.00 0.00 H new ATOM 0 HB ILE A 34 1.345 7.079 5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.259 5.973 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.792 7.660 3.993 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.419 4.691 4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.526 4.925 6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.003 4.388 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.320 6.517 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.190 7.060 2.657 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.716 5.347 2.741 1.00 0.00 H new ATOM 524 N LYS A 35 0.499 9.224 6.385 1.00 0.00 N ATOM 525 CA LYS A 35 0.384 10.663 6.300 1.00 0.00 C ATOM 526 C LYS A 35 0.146 11.086 4.851 1.00 0.00 C ATOM 527 O LYS A 35 0.560 10.402 3.921 1.00 0.00 O ATOM 528 CB LYS A 35 1.652 11.321 6.859 1.00 0.00 C ATOM 529 CG LYS A 35 1.410 12.628 7.588 1.00 0.00 C ATOM 530 CD LYS A 35 1.384 13.826 6.656 1.00 0.00 C ATOM 531 CE LYS A 35 1.067 15.106 7.420 1.00 0.00 C ATOM 532 NZ LYS A 35 2.100 15.428 8.443 1.00 0.00 N ATOM 0 H LYS A 35 1.457 8.877 6.425 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.468 10.991 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.138 10.623 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.346 11.500 6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.463 12.570 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.190 12.772 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.349 13.925 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.638 13.669 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.986 15.935 6.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.097 15.004 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.933 16.385 8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.045 14.739 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.044 15.385 8.009 1.00 0.00 H new ATOM 546 N ARG A 36 -0.527 12.219 4.667 1.00 0.00 N ATOM 547 CA ARG A 36 -0.852 12.750 3.339 1.00 0.00 C ATOM 548 C ARG A 36 0.397 12.914 2.445 1.00 0.00 C ATOM 549 O ARG A 36 0.296 12.907 1.223 1.00 0.00 O ATOM 550 CB ARG A 36 -1.592 14.094 3.483 1.00 0.00 C ATOM 551 CG ARG A 36 -1.957 14.771 2.162 1.00 0.00 C ATOM 552 CD ARG A 36 -2.972 13.963 1.364 1.00 0.00 C ATOM 553 NE ARG A 36 -4.291 13.941 2.000 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.454 13.847 1.335 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.465 13.814 0.003 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.601 13.814 2.003 1.00 0.00 N ATOM 0 H ARG A 36 -0.865 12.799 5.435 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.499 12.025 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.505 13.930 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.970 14.775 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.362 15.763 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.055 14.910 1.565 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.061 14.384 0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.610 12.941 1.249 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.329 14.001 3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.588 13.860 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.351 13.743 -0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.599 13.860 3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.484 13.743 1.497 1.00 0.00 H new ATOM 570 N HIS A 37 1.579 13.050 3.043 1.00 0.00 N ATOM 571 CA HIS A 37 2.804 13.212 2.250 1.00 0.00 C ATOM 572 C HIS A 37 3.713 12.003 2.394 1.00 0.00 C ATOM 573 O HIS A 37 4.808 11.968 1.844 1.00 0.00 O ATOM 574 CB HIS A 37 3.562 14.486 2.640 1.00 0.00 C ATOM 575 CG HIS A 37 2.905 15.756 2.192 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.998 16.940 2.892 1.00 0.00 N ATOM 577 CD2 HIS A 37 2.146 16.029 1.102 1.00 0.00 C ATOM 578 CE1 HIS A 37 2.327 17.880 2.259 1.00 0.00 C ATOM 579 NE2 HIS A 37 1.801 17.354 1.172 1.00 0.00 N ATOM 0 H HIS A 37 1.718 13.052 4.053 1.00 0.00 H new ATOM 0 HA HIS A 37 2.501 13.300 1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.673 14.511 3.724 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.566 14.441 2.217 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.866 15.333 0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.225 18.907 2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 37 1.228 17.853 0.491 1.00 0.00 H new ATOM 588 N THR A 38 3.260 11.008 3.135 1.00 0.00 N ATOM 589 CA THR A 38 4.026 9.802 3.341 1.00 0.00 C ATOM 590 C THR A 38 3.904 8.875 2.131 1.00 0.00 C ATOM 591 O THR A 38 2.808 8.626 1.649 1.00 0.00 O ATOM 592 CB THR A 38 3.558 9.074 4.622 1.00 0.00 C ATOM 593 OG1 THR A 38 3.977 9.811 5.770 1.00 0.00 O ATOM 594 CG2 THR A 38 4.112 7.662 4.686 1.00 0.00 C ATOM 0 H THR A 38 2.356 11.017 3.607 1.00 0.00 H new ATOM 0 HA THR A 38 5.073 10.079 3.462 1.00 0.00 H new ATOM 0 HB THR A 38 2.470 9.009 4.602 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.679 9.350 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.765 7.176 5.598 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.768 7.096 3.820 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.201 7.698 4.686 1.00 0.00 H new ATOM 602 N PRO A 39 5.040 8.361 1.627 1.00 0.00 N ATOM 603 CA PRO A 39 5.058 7.485 0.454 1.00 0.00 C ATOM 604 C PRO A 39 4.313 6.176 0.693 1.00 0.00 C ATOM 605 O PRO A 39 4.342 5.608 1.795 1.00 0.00 O ATOM 606 CB PRO A 39 6.551 7.217 0.217 1.00 0.00 C ATOM 607 CG PRO A 39 7.202 7.502 1.527 1.00 0.00 C ATOM 608 CD PRO A 39 6.391 8.589 2.167 1.00 0.00 C ATOM 0 HA PRO A 39 4.558 7.946 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.723 6.187 -0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.948 7.858 -0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.223 6.611 2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.236 7.818 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.408 8.517 3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.767 9.579 1.907 1.00 0.00 H new ATOM 616 N LEU A 40 3.660 5.684 -0.348 1.00 0.00 N ATOM 617 CA LEU A 40 2.875 4.460 -0.276 1.00 0.00 C ATOM 618 C LEU A 40 3.744 3.237 0.003 1.00 0.00 C ATOM 619 O LEU A 40 3.237 2.187 0.383 1.00 0.00 O ATOM 620 CB LEU A 40 2.070 4.251 -1.558 1.00 0.00 C ATOM 621 CG LEU A 40 1.072 5.359 -1.925 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.201 4.926 -3.086 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.210 5.734 -0.734 1.00 0.00 C ATOM 0 H LEU A 40 3.659 6.123 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 40 2.185 4.576 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.770 4.133 -2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.522 3.313 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 40 1.643 6.239 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.500 5.724 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.828 4.714 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.353 4.028 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.487 6.521 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.348 4.860 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.845 6.092 0.077 1.00 0.00 H new ATOM 635 N SER A 41 5.061 3.377 -0.178 1.00 0.00 N ATOM 636 CA SER A 41 6.008 2.275 0.019 1.00 0.00 C ATOM 637 C SER A 41 5.774 1.571 1.352 1.00 0.00 C ATOM 638 O SER A 41 5.877 0.349 1.439 1.00 0.00 O ATOM 639 CB SER A 41 7.457 2.796 -0.048 1.00 0.00 C ATOM 640 OG SER A 41 8.408 1.740 0.038 1.00 0.00 O ATOM 0 H SER A 41 5.499 4.253 -0.464 1.00 0.00 H new ATOM 0 HA SER A 41 5.846 1.553 -0.781 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.604 3.341 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.626 3.503 0.764 1.00 0.00 H new ATOM 0 HG SER A 41 9.314 2.111 -0.010 1.00 0.00 H new ATOM 646 N LYS A 42 5.440 2.335 2.387 1.00 0.00 N ATOM 647 CA LYS A 42 5.181 1.766 3.702 1.00 0.00 C ATOM 648 C LYS A 42 4.102 0.691 3.629 1.00 0.00 C ATOM 649 O LYS A 42 4.316 -0.443 4.052 1.00 0.00 O ATOM 650 CB LYS A 42 4.754 2.869 4.680 1.00 0.00 C ATOM 651 CG LYS A 42 5.814 3.941 4.924 1.00 0.00 C ATOM 652 CD LYS A 42 6.727 3.609 6.108 1.00 0.00 C ATOM 653 CE LYS A 42 7.498 2.310 5.906 1.00 0.00 C ATOM 654 NZ LYS A 42 8.485 2.078 6.989 1.00 0.00 N ATOM 0 H LYS A 42 5.343 3.349 2.339 1.00 0.00 H new ATOM 0 HA LYS A 42 6.102 1.305 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.852 3.347 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.492 2.411 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.419 4.059 4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.323 4.897 5.106 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.432 4.426 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.127 3.534 7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.798 1.475 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.013 2.339 4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.988 1.185 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.168 2.862 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.991 2.025 7.903 1.00 0.00 H new ATOM 668 N LEU A 43 2.959 1.029 3.059 1.00 0.00 N ATOM 669 CA LEU A 43 1.873 0.076 2.946 1.00 0.00 C ATOM 670 C LEU A 43 2.142 -0.944 1.848 1.00 0.00 C ATOM 671 O LEU A 43 1.730 -2.097 1.949 1.00 0.00 O ATOM 672 CB LEU A 43 0.502 0.776 2.767 1.00 0.00 C ATOM 673 CG LEU A 43 0.316 1.696 1.546 1.00 0.00 C ATOM 674 CD1 LEU A 43 0.080 0.892 0.278 1.00 0.00 C ATOM 675 CD2 LEU A 43 -0.845 2.638 1.784 1.00 0.00 C ATOM 0 H LEU A 43 2.761 1.951 2.670 1.00 0.00 H new ATOM 0 HA LEU A 43 1.822 -0.470 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.265 0.003 2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.308 1.366 3.663 1.00 0.00 H new ATOM 0 HG LEU A 43 1.232 2.272 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.047 1.571 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.936 0.242 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.818 0.285 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.971 3.286 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.756 2.060 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.645 3.247 2.666 1.00 0.00 H new ATOM 687 N MET A 44 2.846 -0.513 0.794 1.00 0.00 N ATOM 688 CA MET A 44 3.171 -1.389 -0.335 1.00 0.00 C ATOM 689 C MET A 44 3.871 -2.649 0.129 1.00 0.00 C ATOM 690 O MET A 44 3.414 -3.759 -0.118 1.00 0.00 O ATOM 691 CB MET A 44 4.101 -0.664 -1.306 1.00 0.00 C ATOM 692 CG MET A 44 3.474 -0.254 -2.618 1.00 0.00 C ATOM 693 SD MET A 44 2.228 1.017 -2.429 1.00 0.00 S ATOM 694 CE MET A 44 2.132 1.622 -4.104 1.00 0.00 C ATOM 0 H MET A 44 3.201 0.439 0.701 1.00 0.00 H new ATOM 0 HA MET A 44 2.233 -1.654 -0.822 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.489 0.228 -0.814 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.954 -1.309 -1.516 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.253 0.105 -3.290 1.00 0.00 H new ATOM 0 HG3 MET A 44 3.025 -1.128 -3.089 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.390 2.681 -4.124 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.829 1.067 -4.732 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.118 1.488 -4.482 1.00 0.00 H new ATOM 704 N LYS A 45 4.978 -2.474 0.824 1.00 0.00 N ATOM 705 CA LYS A 45 5.755 -3.601 1.307 1.00 0.00 C ATOM 706 C LYS A 45 5.016 -4.304 2.447 1.00 0.00 C ATOM 707 O LYS A 45 4.957 -5.526 2.497 1.00 0.00 O ATOM 708 CB LYS A 45 7.152 -3.153 1.780 1.00 0.00 C ATOM 709 CG LYS A 45 7.742 -1.966 1.015 1.00 0.00 C ATOM 710 CD LYS A 45 8.214 -2.322 -0.385 1.00 0.00 C ATOM 711 CE LYS A 45 9.716 -2.559 -0.412 1.00 0.00 C ATOM 712 NZ LYS A 45 10.258 -2.538 -1.795 1.00 0.00 N ATOM 0 H LYS A 45 5.361 -1.561 1.068 1.00 0.00 H new ATOM 0 HA LYS A 45 5.884 -4.299 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.096 -2.893 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.836 -3.997 1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.992 -1.178 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.581 -1.560 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.695 -3.216 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.957 -1.518 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.214 -1.795 0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.940 -3.520 0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.290 -2.414 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.032 -3.435 -2.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.831 -1.750 -2.323 1.00 0.00 H new ATOM 726 N ALA A 46 4.410 -3.512 3.345 1.00 0.00 N ATOM 727 CA ALA A 46 3.713 -4.048 4.522 1.00 0.00 C ATOM 728 C ALA A 46 2.604 -5.007 4.125 1.00 0.00 C ATOM 729 O ALA A 46 2.504 -6.115 4.656 1.00 0.00 O ATOM 730 CB ALA A 46 3.147 -2.921 5.372 1.00 0.00 C ATOM 0 H ALA A 46 4.389 -2.494 3.277 1.00 0.00 H new ATOM 0 HA ALA A 46 4.445 -4.602 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.635 -3.340 6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.959 -2.275 5.708 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.441 -2.338 4.780 1.00 0.00 H new ATOM 736 N TYR A 47 1.766 -4.583 3.186 1.00 0.00 N ATOM 737 CA TYR A 47 0.669 -5.404 2.690 1.00 0.00 C ATOM 738 C TYR A 47 1.182 -6.740 2.189 1.00 0.00 C ATOM 739 O TYR A 47 0.708 -7.790 2.597 1.00 0.00 O ATOM 740 CB TYR A 47 -0.075 -4.659 1.563 1.00 0.00 C ATOM 741 CG TYR A 47 -0.990 -5.533 0.721 1.00 0.00 C ATOM 742 CD1 TYR A 47 -2.307 -5.768 1.096 1.00 0.00 C ATOM 743 CD2 TYR A 47 -0.531 -6.116 -0.459 1.00 0.00 C ATOM 744 CE1 TYR A 47 -3.137 -6.557 0.325 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.354 -6.904 -1.233 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.655 -7.124 -0.840 1.00 0.00 C ATOM 747 OH TYR A 47 -3.477 -7.911 -1.611 1.00 0.00 O ATOM 0 H TYR A 47 1.828 -3.664 2.749 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.024 -5.592 3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.666 -3.857 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.660 -4.190 0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.688 -5.326 2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.489 -5.947 -0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.158 -6.730 0.631 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.980 -7.347 -2.144 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.346 -8.009 -1.168 1.00 0.00 H new ATOM 757 N CYS A 48 2.168 -6.697 1.332 1.00 0.00 N ATOM 758 CA CYS A 48 2.713 -7.894 0.734 1.00 0.00 C ATOM 759 C CYS A 48 3.355 -8.805 1.772 1.00 0.00 C ATOM 760 O CYS A 48 3.247 -10.025 1.694 1.00 0.00 O ATOM 761 CB CYS A 48 3.707 -7.506 -0.329 1.00 0.00 C ATOM 762 SG CYS A 48 3.046 -6.304 -1.482 1.00 0.00 S ATOM 0 H CYS A 48 2.618 -5.834 1.027 1.00 0.00 H new ATOM 0 HA CYS A 48 1.897 -8.459 0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.600 -7.097 0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.016 -8.397 -0.876 1.00 0.00 H new ATOM 0 HG CYS A 48 4.004 -5.530 -1.899 1.00 0.00 H new ATOM 768 N GLU A 49 3.996 -8.216 2.761 1.00 0.00 N ATOM 769 CA GLU A 49 4.644 -8.982 3.811 1.00 0.00 C ATOM 770 C GLU A 49 3.629 -9.744 4.655 1.00 0.00 C ATOM 771 O GLU A 49 3.856 -10.893 5.032 1.00 0.00 O ATOM 772 CB GLU A 49 5.487 -8.069 4.698 1.00 0.00 C ATOM 773 CG GLU A 49 6.694 -7.486 3.999 1.00 0.00 C ATOM 774 CD GLU A 49 7.652 -6.836 4.958 1.00 0.00 C ATOM 775 OE1 GLU A 49 7.346 -5.743 5.467 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.725 -7.420 5.211 1.00 0.00 O ATOM 0 H GLU A 49 4.083 -7.205 2.861 1.00 0.00 H new ATOM 0 HA GLU A 49 5.297 -9.711 3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.862 -7.255 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.820 -8.631 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.210 -8.275 3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.365 -6.751 3.264 1.00 0.00 H new ATOM 783 N ARG A 50 2.501 -9.114 4.939 1.00 0.00 N ATOM 784 CA ARG A 50 1.473 -9.728 5.765 1.00 0.00 C ATOM 785 C ARG A 50 0.529 -10.602 4.937 1.00 0.00 C ATOM 786 O ARG A 50 -0.131 -11.492 5.465 1.00 0.00 O ATOM 787 CB ARG A 50 0.693 -8.647 6.526 1.00 0.00 C ATOM 788 CG ARG A 50 0.061 -7.594 5.632 1.00 0.00 C ATOM 789 CD ARG A 50 -0.384 -6.377 6.426 1.00 0.00 C ATOM 790 NE ARG A 50 0.723 -5.762 7.167 1.00 0.00 N ATOM 791 CZ ARG A 50 0.575 -4.987 8.250 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.636 -4.787 8.774 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.646 -4.435 8.821 1.00 0.00 N ATOM 0 H ARG A 50 2.273 -8.176 4.609 1.00 0.00 H new ATOM 0 HA ARG A 50 1.965 -10.381 6.486 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.089 -9.125 7.115 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.366 -8.155 7.229 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.776 -7.289 4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.796 -8.024 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.817 -5.642 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.169 -6.668 7.124 1.00 0.00 H new ATOM 0 HE ARG A 50 1.671 -5.937 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.454 -5.225 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.744 -4.196 9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.574 -4.603 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.537 -3.844 9.646 1.00 0.00 H new ATOM 807 N GLN A 51 0.461 -10.347 3.636 1.00 0.00 N ATOM 808 CA GLN A 51 -0.411 -11.123 2.754 1.00 0.00 C ATOM 809 C GLN A 51 0.347 -12.243 2.070 1.00 0.00 C ATOM 810 O GLN A 51 -0.242 -13.078 1.386 1.00 0.00 O ATOM 811 CB GLN A 51 -1.081 -10.219 1.715 1.00 0.00 C ATOM 812 CG GLN A 51 -2.014 -9.196 2.327 1.00 0.00 C ATOM 813 CD GLN A 51 -3.021 -9.823 3.262 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.125 -10.177 2.860 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.635 -9.976 4.509 1.00 0.00 N ATOM 0 H GLN A 51 0.994 -9.614 3.168 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.187 -11.572 3.374 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.311 -9.702 1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.640 -10.837 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.429 -8.454 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.540 -8.667 1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.707 -9.666 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.263 -10.405 5.188 1.00 0.00 H new ATOM 824 N GLY A 52 1.654 -12.273 2.258 1.00 0.00 N ATOM 825 CA GLY A 52 2.468 -13.297 1.627 1.00 0.00 C ATOM 826 C GLY A 52 2.551 -13.094 0.131 1.00 0.00 C ATOM 827 O GLY A 52 2.467 -14.043 -0.648 1.00 0.00 O ATOM 0 H GLY A 52 2.170 -11.609 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.471 -13.281 2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.047 -14.280 1.839 1.00 0.00 H new ATOM 831 N LEU A 53 2.713 -11.851 -0.274 1.00 0.00 N ATOM 832 CA LEU A 53 2.769 -11.494 -1.674 1.00 0.00 C ATOM 833 C LEU A 53 4.124 -10.932 -2.034 1.00 0.00 C ATOM 834 O LEU A 53 4.835 -10.388 -1.192 1.00 0.00 O ATOM 835 CB LEU A 53 1.671 -10.477 -2.016 1.00 0.00 C ATOM 836 CG LEU A 53 0.445 -11.032 -2.748 1.00 0.00 C ATOM 837 CD1 LEU A 53 -0.135 -12.216 -2.010 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.602 -9.951 -2.919 1.00 0.00 C ATOM 0 H LEU A 53 2.810 -11.059 0.361 1.00 0.00 H new ATOM 0 HA LEU A 53 2.604 -12.400 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.336 -10.009 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.110 -9.690 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 53 0.763 -11.370 -3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.004 -12.591 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.615 -13.003 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.435 -11.909 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.467 -10.361 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.910 -9.584 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.184 -9.129 -3.500 1.00 0.00 H new ATOM 850 N SER A 54 4.487 -11.073 -3.280 1.00 0.00 N ATOM 851 CA SER A 54 5.757 -10.584 -3.769 1.00 0.00 C ATOM 852 C SER A 54 5.583 -9.282 -4.540 1.00 0.00 C ATOM 853 O SER A 54 4.800 -9.212 -5.480 1.00 0.00 O ATOM 854 CB SER A 54 6.400 -11.639 -4.654 1.00 0.00 C ATOM 855 OG SER A 54 6.799 -12.767 -3.895 1.00 0.00 O ATOM 0 H SER A 54 3.913 -11.530 -3.989 1.00 0.00 H new ATOM 0 HA SER A 54 6.404 -10.382 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.696 -11.947 -5.427 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.266 -11.214 -5.162 1.00 0.00 H new ATOM 0 HG SER A 54 7.208 -13.432 -4.487 1.00 0.00 H new ATOM 861 N MET A 55 6.349 -8.263 -4.158 1.00 0.00 N ATOM 862 CA MET A 55 6.269 -6.921 -4.771 1.00 0.00 C ATOM 863 C MET A 55 6.463 -6.964 -6.294 1.00 0.00 C ATOM 864 O MET A 55 5.904 -6.154 -7.022 1.00 0.00 O ATOM 865 CB MET A 55 7.328 -5.978 -4.152 1.00 0.00 C ATOM 866 CG MET A 55 7.181 -5.730 -2.652 1.00 0.00 C ATOM 867 SD MET A 55 5.673 -4.845 -2.223 1.00 0.00 S ATOM 868 CE MET A 55 5.910 -3.283 -3.064 1.00 0.00 C ATOM 0 H MET A 55 7.045 -8.335 -3.416 1.00 0.00 H new ATOM 0 HA MET A 55 5.267 -6.543 -4.566 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.317 -6.396 -4.340 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.284 -5.019 -4.669 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.194 -6.686 -2.129 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.041 -5.161 -2.298 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.979 -2.717 -3.049 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.690 -2.713 -2.559 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.206 -3.467 -4.097 1.00 0.00 H new ATOM 878 N ARG A 56 7.267 -7.905 -6.772 1.00 0.00 N ATOM 879 CA ARG A 56 7.555 -8.009 -8.210 1.00 0.00 C ATOM 880 C ARG A 56 6.492 -8.813 -8.949 1.00 0.00 C ATOM 881 O ARG A 56 6.251 -8.608 -10.132 1.00 0.00 O ATOM 882 CB ARG A 56 8.945 -8.617 -8.459 1.00 0.00 C ATOM 883 CG ARG A 56 10.078 -7.826 -7.830 1.00 0.00 C ATOM 884 CD ARG A 56 10.331 -8.252 -6.396 1.00 0.00 C ATOM 885 NE ARG A 56 11.303 -9.340 -6.305 1.00 0.00 N ATOM 886 CZ ARG A 56 12.573 -9.186 -5.912 1.00 0.00 C ATOM 887 NH1 ARG A 56 13.051 -7.972 -5.643 1.00 0.00 N ATOM 888 NH2 ARG A 56 13.364 -10.244 -5.797 1.00 0.00 N ATOM 0 H ARG A 56 7.732 -8.606 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 56 7.542 -6.993 -8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.963 -9.634 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.115 -8.686 -9.534 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.987 -7.963 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.839 -6.763 -7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.691 -7.397 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.392 -8.568 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 56 10.993 -10.278 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.448 -7.154 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.020 -7.860 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.004 -11.175 -6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.332 -10.127 -5.498 1.00 0.00 H new ATOM 902 N GLN A 57 5.859 -9.738 -8.243 1.00 0.00 N ATOM 903 CA GLN A 57 4.835 -10.601 -8.837 1.00 0.00 C ATOM 904 C GLN A 57 3.458 -9.978 -8.680 1.00 0.00 C ATOM 905 O GLN A 57 2.460 -10.514 -9.142 1.00 0.00 O ATOM 906 CB GLN A 57 4.849 -11.999 -8.195 1.00 0.00 C ATOM 907 CG GLN A 57 5.906 -12.968 -8.740 1.00 0.00 C ATOM 908 CD GLN A 57 7.251 -12.920 -8.020 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.898 -13.948 -7.834 1.00 0.00 O ATOM 910 NE2 GLN A 57 7.715 -11.744 -7.695 1.00 0.00 N ATOM 0 H GLN A 57 6.034 -9.915 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 57 5.062 -10.705 -9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.005 -11.885 -7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.866 -12.450 -8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.513 -13.983 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.067 -12.751 -9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.153 -10.910 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.640 -11.659 -7.273 1.00 0.00 H new ATOM 919 N ILE A 58 3.391 -8.872 -7.978 1.00 0.00 N ATOM 920 CA ILE A 58 2.138 -8.153 -7.856 1.00 0.00 C ATOM 921 C ILE A 58 2.282 -6.724 -8.346 1.00 0.00 C ATOM 922 O ILE A 58 3.380 -6.264 -8.630 1.00 0.00 O ATOM 923 CB ILE A 58 1.587 -8.162 -6.422 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.372 -7.206 -5.537 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.635 -9.573 -5.851 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.716 -6.962 -4.213 1.00 0.00 C ATOM 0 H ILE A 58 4.179 -8.451 -7.486 1.00 0.00 H new ATOM 0 HA ILE A 58 1.420 -8.679 -8.485 1.00 0.00 H new ATOM 0 HB ILE A 58 0.550 -7.828 -6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.371 -7.610 -5.372 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.494 -6.256 -6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.242 -9.568 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.031 -10.237 -6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.666 -9.926 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.324 -6.272 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.728 -6.531 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.619 -7.905 -3.676 1.00 0.00 H new ATOM 938 N ARG A 59 1.168 -6.025 -8.476 1.00 0.00 N ATOM 939 CA ARG A 59 1.191 -4.656 -8.939 1.00 0.00 C ATOM 940 C ARG A 59 0.136 -3.852 -8.229 1.00 0.00 C ATOM 941 O ARG A 59 -0.984 -4.322 -8.021 1.00 0.00 O ATOM 942 CB ARG A 59 0.937 -4.589 -10.442 1.00 0.00 C ATOM 943 CG ARG A 59 1.461 -3.325 -11.106 1.00 0.00 C ATOM 944 CD ARG A 59 2.975 -3.281 -11.049 1.00 0.00 C ATOM 945 NE ARG A 59 3.569 -4.487 -11.639 1.00 0.00 N ATOM 946 CZ ARG A 59 4.823 -4.895 -11.438 1.00 0.00 C ATOM 947 NH1 ARG A 59 5.662 -4.165 -10.702 1.00 0.00 N ATOM 948 NH2 ARG A 59 5.236 -6.033 -11.979 1.00 0.00 N ATOM 0 H ARG A 59 0.238 -6.387 -8.266 1.00 0.00 H new ATOM 0 HA ARG A 59 2.177 -4.244 -8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.400 -5.454 -10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.136 -4.663 -10.622 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.130 -3.289 -12.144 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.047 -2.448 -10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.335 -2.400 -11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.299 -3.184 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 59 2.979 -5.055 -12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.346 -3.288 -10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.619 -4.484 -10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.596 -6.590 -12.545 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.194 -6.351 -11.829 1.00 0.00 H new ATOM 962 N PHE A 60 0.487 -2.650 -7.853 1.00 0.00 N ATOM 963 CA PHE A 60 -0.442 -1.749 -7.221 1.00 0.00 C ATOM 964 C PHE A 60 -1.026 -0.799 -8.259 1.00 0.00 C ATOM 965 O PHE A 60 -0.294 -0.187 -9.043 1.00 0.00 O ATOM 966 CB PHE A 60 0.261 -0.954 -6.127 1.00 0.00 C ATOM 967 CG PHE A 60 0.373 -1.668 -4.809 1.00 0.00 C ATOM 968 CD1 PHE A 60 1.081 -2.853 -4.694 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.229 -1.144 -3.682 1.00 0.00 C ATOM 970 CE1 PHE A 60 1.178 -3.499 -3.476 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.136 -1.782 -2.468 1.00 0.00 C ATOM 972 CZ PHE A 60 0.566 -2.962 -2.360 1.00 0.00 C ATOM 0 H PHE A 60 1.425 -2.268 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.249 -2.329 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.262 -0.694 -6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.276 -0.018 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.562 -3.276 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.781 -0.219 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.732 -4.423 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.614 -1.357 -1.598 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.638 -3.465 -1.407 1.00 0.00 H new ATOM 982 N ARG A 61 -2.331 -0.691 -8.291 1.00 0.00 N ATOM 983 CA ARG A 61 -2.996 0.191 -9.224 1.00 0.00 C ATOM 984 C ARG A 61 -4.115 0.952 -8.525 1.00 0.00 C ATOM 985 O ARG A 61 -4.792 0.420 -7.651 1.00 0.00 O ATOM 986 CB ARG A 61 -3.541 -0.616 -10.407 1.00 0.00 C ATOM 987 CG ARG A 61 -4.342 0.199 -11.409 1.00 0.00 C ATOM 988 CD ARG A 61 -4.774 -0.649 -12.592 1.00 0.00 C ATOM 989 NE ARG A 61 -3.633 -1.074 -13.412 1.00 0.00 N ATOM 990 CZ ARG A 61 -3.572 -2.236 -14.075 1.00 0.00 C ATOM 991 NH1 ARG A 61 -4.585 -3.097 -14.014 1.00 0.00 N ATOM 992 NH2 ARG A 61 -2.500 -2.528 -14.805 1.00 0.00 N ATOM 0 H ARG A 61 -2.961 -1.207 -7.677 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.277 0.917 -9.603 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.706 -1.087 -10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.171 -1.419 -10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.221 0.619 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.742 1.038 -11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.308 -1.528 -12.232 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.472 -0.082 -13.208 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.835 -0.443 -13.481 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.412 -2.873 -13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.534 -3.981 -14.521 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.725 -1.867 -14.860 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.453 -3.413 -15.310 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.296 2.195 -8.896 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.318 3.035 -8.305 1.00 0.00 C ATOM 1008 C PHE A 62 -5.810 4.013 -9.347 1.00 0.00 C ATOM 1009 O PHE A 62 -5.006 4.601 -10.053 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.726 3.794 -7.107 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.706 4.663 -6.370 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -5.926 5.977 -6.759 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.396 4.171 -5.281 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -6.818 6.776 -6.076 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.284 4.966 -4.592 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.497 6.271 -4.990 1.00 0.00 C ATOM 0 H PHE A 62 -3.741 2.657 -9.616 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.151 2.424 -7.959 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.304 3.071 -6.408 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.902 4.415 -7.459 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.392 6.379 -7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.238 3.150 -4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.984 7.795 -6.392 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.815 4.569 -3.739 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.195 6.894 -4.450 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.135 4.171 -9.475 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.730 5.105 -10.450 1.00 0.00 C ATOM 1028 C ASP A 63 -7.486 4.614 -11.865 1.00 0.00 C ATOM 1029 O ASP A 63 -7.488 5.384 -12.826 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.147 6.513 -10.277 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.976 7.585 -10.956 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -9.167 7.723 -10.619 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.432 8.310 -11.820 1.00 0.00 O ATOM 0 H ASP A 63 -7.820 3.663 -8.915 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.804 5.149 -10.269 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.070 6.740 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.135 6.533 -10.681 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.288 3.316 -11.999 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.026 2.734 -13.294 1.00 0.00 C ATOM 1040 C GLY A 64 -5.578 2.884 -13.704 1.00 0.00 C ATOM 1041 O GLY A 64 -5.075 2.134 -14.542 1.00 0.00 O ATOM 0 H GLY A 64 -7.304 2.649 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.289 1.676 -13.275 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.664 3.208 -14.040 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.892 3.839 -13.111 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.499 4.077 -13.426 1.00 0.00 C ATOM 1047 C GLN A 65 -2.593 3.306 -12.464 1.00 0.00 C ATOM 1048 O GLN A 65 -2.904 3.168 -11.279 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.196 5.574 -13.378 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.581 6.217 -12.070 1.00 0.00 C ATOM 1051 CD GLN A 65 -3.251 7.684 -12.002 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -3.293 8.396 -13.006 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.914 8.141 -10.823 1.00 0.00 N ATOM 0 H GLN A 65 -5.279 4.466 -12.405 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.301 3.719 -14.436 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.131 5.728 -13.551 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.726 6.072 -14.190 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.651 6.086 -11.911 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.072 5.700 -11.256 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.893 7.513 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.672 9.125 -10.708 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.483 2.758 -12.964 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.540 2.020 -12.134 1.00 0.00 C ATOM 1064 C PRO A 66 0.280 2.953 -11.248 1.00 0.00 C ATOM 1065 O PRO A 66 0.732 4.013 -11.688 1.00 0.00 O ATOM 1066 CB PRO A 66 0.356 1.317 -13.154 1.00 0.00 C ATOM 1067 CG PRO A 66 0.314 2.192 -14.359 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.057 2.814 -14.378 1.00 0.00 C ATOM 0 HA PRO A 66 -1.037 1.333 -11.449 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.374 1.208 -12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.010 0.315 -13.379 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.088 2.958 -14.311 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.492 1.614 -15.266 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.027 3.839 -14.748 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.739 2.262 -15.024 1.00 0.00 H new ATOM 1076 N ILE A 67 0.460 2.571 -10.002 1.00 0.00 N ATOM 1077 CA ILE A 67 1.221 3.374 -9.067 1.00 0.00 C ATOM 1078 C ILE A 67 2.486 2.652 -8.648 1.00 0.00 C ATOM 1079 O ILE A 67 2.680 1.469 -8.952 1.00 0.00 O ATOM 1080 CB ILE A 67 0.396 3.742 -7.814 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.201 2.480 -7.177 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.688 4.749 -8.168 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.002 2.738 -5.921 1.00 0.00 C ATOM 0 H ILE A 67 0.088 1.705 -9.611 1.00 0.00 H new ATOM 0 HA ILE A 67 1.483 4.298 -9.582 1.00 0.00 H new ATOM 0 HB ILE A 67 1.057 4.206 -7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.842 1.986 -7.908 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.608 1.788 -6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.260 4.997 -7.274 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.228 5.653 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.354 4.319 -8.917 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.388 1.794 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.362 3.202 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.834 3.404 -6.150 1.00 0.00 H new ATOM 1095 N ASN A 68 3.343 3.351 -7.951 1.00 0.00 N ATOM 1096 CA ASN A 68 4.597 2.803 -7.499 1.00 0.00 C ATOM 1097 C ASN A 68 4.813 3.084 -6.040 1.00 0.00 C ATOM 1098 O ASN A 68 4.303 4.050 -5.509 1.00 0.00 O ATOM 1099 CB ASN A 68 5.778 3.353 -8.312 1.00 0.00 C ATOM 1100 CG ASN A 68 5.687 4.842 -8.648 1.00 0.00 C ATOM 1101 OD1 ASN A 68 6.191 5.283 -9.676 1.00 0.00 O ATOM 1102 ND2 ASN A 68 5.066 5.622 -7.789 1.00 0.00 N ATOM 0 H ASN A 68 3.191 4.322 -7.679 1.00 0.00 H new ATOM 0 HA ASN A 68 4.547 1.725 -7.649 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.698 3.176 -7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.855 2.789 -9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.994 6.623 -7.969 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.657 5.225 -6.943 1.00 0.00 H new ATOM 1109 N GLU A 69 5.616 2.263 -5.395 1.00 0.00 N ATOM 1110 CA GLU A 69 5.906 2.414 -3.971 1.00 0.00 C ATOM 1111 C GLU A 69 6.553 3.772 -3.658 1.00 0.00 C ATOM 1112 O GLU A 69 6.673 4.163 -2.507 1.00 0.00 O ATOM 1113 CB GLU A 69 6.819 1.281 -3.507 1.00 0.00 C ATOM 1114 CG GLU A 69 8.167 1.266 -4.200 1.00 0.00 C ATOM 1115 CD GLU A 69 8.966 0.024 -3.884 1.00 0.00 C ATOM 1116 OE1 GLU A 69 9.510 -0.075 -2.761 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.046 -0.864 -4.755 1.00 0.00 O ATOM 0 H GLU A 69 6.088 1.473 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 69 4.960 2.369 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.974 1.367 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.319 0.328 -3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.019 1.334 -5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.736 2.146 -3.900 1.00 0.00 H new ATOM 1124 N THR A 70 6.942 4.502 -4.682 1.00 0.00 N ATOM 1125 CA THR A 70 7.601 5.762 -4.479 1.00 0.00 C ATOM 1126 C THR A 70 6.628 6.951 -4.669 1.00 0.00 C ATOM 1127 O THR A 70 7.037 8.115 -4.641 1.00 0.00 O ATOM 1128 CB THR A 70 8.839 5.908 -5.405 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.573 7.092 -5.079 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.431 5.949 -6.867 1.00 0.00 C ATOM 0 H THR A 70 6.811 4.240 -5.659 1.00 0.00 H new ATOM 0 HA THR A 70 7.949 5.780 -3.446 1.00 0.00 H new ATOM 0 HB THR A 70 9.473 5.036 -5.246 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.965 7.758 -4.695 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.320 6.052 -7.490 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.911 5.027 -7.126 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.769 6.798 -7.036 1.00 0.00 H new ATOM 1138 N ASP A 71 5.335 6.667 -4.852 1.00 0.00 N ATOM 1139 CA ASP A 71 4.354 7.745 -5.009 1.00 0.00 C ATOM 1140 C ASP A 71 3.741 8.106 -3.660 1.00 0.00 C ATOM 1141 O ASP A 71 3.901 7.373 -2.670 1.00 0.00 O ATOM 1142 CB ASP A 71 3.255 7.389 -6.050 1.00 0.00 C ATOM 1143 CG ASP A 71 2.060 6.667 -5.484 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.140 7.345 -4.995 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.031 5.429 -5.569 1.00 0.00 O ATOM 0 H ASP A 71 4.950 5.724 -4.894 1.00 0.00 H new ATOM 0 HA ASP A 71 4.881 8.617 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.914 8.308 -6.527 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.700 6.771 -6.830 1.00 0.00 H new ATOM 1150 N THR A 72 3.077 9.246 -3.604 1.00 0.00 N ATOM 1151 CA THR A 72 2.465 9.718 -2.379 1.00 0.00 C ATOM 1152 C THR A 72 0.964 9.937 -2.579 1.00 0.00 C ATOM 1153 O THR A 72 0.528 10.308 -3.679 1.00 0.00 O ATOM 1154 CB THR A 72 3.111 11.045 -1.919 1.00 0.00 C ATOM 1155 OG1 THR A 72 2.889 12.064 -2.909 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.608 10.869 -1.710 1.00 0.00 C ATOM 0 H THR A 72 2.948 9.867 -4.403 1.00 0.00 H new ATOM 0 HA THR A 72 2.623 8.957 -1.615 1.00 0.00 H new ATOM 0 HB THR A 72 2.653 11.340 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.299 12.903 -2.612 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.044 11.814 -1.387 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.782 10.109 -0.948 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.072 10.557 -2.646 1.00 0.00 H new ATOM 1164 N PRO A 73 0.155 9.742 -1.512 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.307 9.901 -1.571 1.00 0.00 C ATOM 1166 C PRO A 73 -1.729 11.317 -1.976 1.00 0.00 C ATOM 1167 O PRO A 73 -2.852 11.549 -2.425 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.766 9.603 -0.134 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.544 9.773 0.699 1.00 0.00 C ATOM 1170 CD PRO A 73 0.599 9.349 -0.169 1.00 0.00 C ATOM 0 HA PRO A 73 -1.749 9.244 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.556 10.286 0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.166 8.593 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.429 10.809 1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.597 9.164 1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.526 9.848 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.781 8.276 -0.102 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.830 12.260 -1.813 1.00 0.00 N ATOM 1179 CA ALA A 74 -1.106 13.641 -2.158 1.00 0.00 C ATOM 1180 C ALA A 74 -0.950 13.872 -3.651 1.00 0.00 C ATOM 1181 O ALA A 74 -1.649 14.698 -4.241 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.182 14.565 -1.392 1.00 0.00 C ATOM 0 H ALA A 74 0.106 12.097 -1.441 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.138 13.859 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.398 15.599 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.335 14.427 -0.322 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.853 14.334 -1.643 1.00 0.00 H new ATOM 1188 N GLN A 75 -0.045 13.128 -4.264 1.00 0.00 N ATOM 1189 CA GLN A 75 0.250 13.276 -5.678 1.00 0.00 C ATOM 1190 C GLN A 75 -0.931 12.840 -6.529 1.00 0.00 C ATOM 1191 O GLN A 75 -1.451 13.605 -7.339 1.00 0.00 O ATOM 1192 CB GLN A 75 1.457 12.421 -6.025 1.00 0.00 C ATOM 1193 CG GLN A 75 1.972 12.601 -7.441 1.00 0.00 C ATOM 1194 CD GLN A 75 3.148 11.690 -7.743 1.00 0.00 C ATOM 1195 OE1 GLN A 75 4.015 12.020 -8.550 1.00 0.00 O ATOM 1196 NE2 GLN A 75 3.180 10.530 -7.106 1.00 0.00 N ATOM 0 H GLN A 75 0.504 12.407 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 75 0.455 14.327 -5.883 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.262 12.652 -5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.198 11.373 -5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.167 12.398 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.271 13.639 -7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.442 10.292 -6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.943 9.875 -7.278 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.367 11.607 -6.331 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.468 11.066 -7.120 1.00 0.00 C ATOM 1207 C LEU A 76 -3.831 11.504 -6.579 1.00 0.00 C ATOM 1208 O LEU A 76 -4.873 11.029 -7.031 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.381 9.530 -7.251 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.844 8.683 -6.053 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.747 7.213 -6.396 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.026 8.978 -4.816 1.00 0.00 C ATOM 0 H LEU A 76 -0.982 10.965 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.370 11.484 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.970 9.234 -8.119 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.344 9.270 -7.465 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.881 8.942 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.076 6.618 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.381 6.997 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.714 6.963 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.381 8.362 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.977 8.754 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.130 10.031 -4.554 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.812 12.432 -5.616 1.00 0.00 N ATOM 1225 CA GLU A 77 -5.032 12.986 -5.026 1.00 0.00 C ATOM 1226 C GLU A 77 -5.907 11.891 -4.421 1.00 0.00 C ATOM 1227 O GLU A 77 -7.025 11.641 -4.866 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.806 13.811 -6.060 1.00 0.00 C ATOM 1229 CG GLU A 77 -4.990 14.948 -6.661 1.00 0.00 C ATOM 1230 CD GLU A 77 -5.760 15.735 -7.692 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -6.455 16.697 -7.312 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -5.678 15.397 -8.895 1.00 0.00 O ATOM 0 H GLU A 77 -2.952 12.818 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.740 13.651 -4.213 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.143 13.153 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.699 14.223 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.667 15.619 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.089 14.540 -7.119 1.00 0.00 H new ATOM 1239 N MET A 78 -5.373 11.225 -3.417 1.00 0.00 N ATOM 1240 CA MET A 78 -6.074 10.151 -2.722 1.00 0.00 C ATOM 1241 C MET A 78 -7.076 10.715 -1.709 1.00 0.00 C ATOM 1242 O MET A 78 -7.383 11.910 -1.715 1.00 0.00 O ATOM 1243 CB MET A 78 -5.053 9.259 -2.013 1.00 0.00 C ATOM 1244 CG MET A 78 -4.975 7.844 -2.556 1.00 0.00 C ATOM 1245 SD MET A 78 -3.470 7.003 -2.043 1.00 0.00 S ATOM 1246 CE MET A 78 -3.643 5.446 -2.903 1.00 0.00 C ATOM 0 H MET A 78 -4.438 11.410 -3.055 1.00 0.00 H new ATOM 0 HA MET A 78 -6.631 9.564 -3.452 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.069 9.720 -2.092 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.301 9.215 -0.952 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.841 7.277 -2.214 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.021 7.871 -3.645 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.034 4.688 -2.410 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.688 5.137 -2.890 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.312 5.562 -3.935 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.553 9.860 -0.818 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.528 10.243 0.188 1.00 0.00 C ATOM 1258 C GLU A 79 -8.600 9.171 1.256 1.00 0.00 C ATOM 1259 O GLU A 79 -8.036 8.090 1.094 1.00 0.00 O ATOM 1260 CB GLU A 79 -9.916 10.497 -0.425 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.526 9.300 -1.124 1.00 0.00 C ATOM 1262 CD GLU A 79 -11.925 9.577 -1.615 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -12.074 10.221 -2.676 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -12.893 9.151 -0.940 1.00 0.00 O ATOM 0 H GLU A 79 -7.274 8.880 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.204 11.182 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.593 10.824 0.364 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.839 11.317 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.897 9.015 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.545 8.452 -0.439 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.282 9.453 2.348 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.397 8.489 3.427 1.00 0.00 C ATOM 1273 C ASP A 80 -10.374 7.389 3.078 1.00 0.00 C ATOM 1274 O ASP A 80 -11.417 7.631 2.460 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.818 9.158 4.742 1.00 0.00 C ATOM 1276 CG ASP A 80 -11.181 9.813 4.663 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -11.282 10.911 4.080 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -12.157 9.240 5.183 1.00 0.00 O ATOM 0 H ASP A 80 -9.763 10.337 2.513 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.408 8.051 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.825 8.412 5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.076 9.908 5.015 1.00 0.00 H new ATOM 1283 N GLU A 81 -10.006 6.171 3.447 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.834 4.984 3.276 1.00 0.00 C ATOM 1285 C GLU A 81 -10.962 4.568 1.819 1.00 0.00 C ATOM 1286 O GLU A 81 -11.870 3.815 1.456 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.210 5.164 3.917 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.145 5.535 5.387 1.00 0.00 C ATOM 1289 CD GLU A 81 -13.457 5.313 6.094 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -13.749 4.155 6.458 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -14.199 6.295 6.297 1.00 0.00 O ATOM 0 H GLU A 81 -9.105 5.975 3.883 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.322 4.174 3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.755 5.939 3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.777 4.240 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.369 4.945 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -11.857 6.582 5.482 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.058 5.038 0.974 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.074 4.623 -0.418 1.00 0.00 C ATOM 1300 C ASP A 82 -9.320 3.309 -0.551 1.00 0.00 C ATOM 1301 O ASP A 82 -8.594 2.907 0.364 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.474 5.686 -1.333 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.141 5.686 -2.695 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.045 4.675 -3.417 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.793 6.686 -3.035 1.00 0.00 O ATOM 0 H ASP A 82 -9.318 5.695 1.221 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.110 4.487 -0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.584 6.668 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.405 5.506 -1.450 1.00 0.00 H new ATOM 1310 N THR A 83 -9.470 2.631 -1.666 1.00 0.00 N ATOM 1311 CA THR A 83 -8.868 1.327 -1.815 1.00 0.00 C ATOM 1312 C THR A 83 -8.006 1.209 -3.081 1.00 0.00 C ATOM 1313 O THR A 83 -8.344 1.729 -4.143 1.00 0.00 O ATOM 1314 CB THR A 83 -9.952 0.233 -1.808 1.00 0.00 C ATOM 1315 OG1 THR A 83 -10.819 0.441 -0.684 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.333 -1.147 -1.700 1.00 0.00 C ATOM 0 H THR A 83 -9.998 2.957 -2.475 1.00 0.00 H new ATOM 0 HA THR A 83 -8.202 1.189 -0.963 1.00 0.00 H new ATOM 0 HB THR A 83 -10.510 0.293 -2.742 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.513 -0.251 -0.674 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.121 -1.900 -1.697 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.672 -1.317 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.760 -1.218 -0.775 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.891 0.506 -2.945 1.00 0.00 N ATOM 1325 CA ILE A 84 -5.960 0.276 -4.035 1.00 0.00 C ATOM 1326 C ILE A 84 -6.192 -1.115 -4.607 1.00 0.00 C ATOM 1327 O ILE A 84 -6.440 -2.060 -3.863 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.469 0.396 -3.571 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.131 1.824 -3.117 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.517 -0.040 -4.671 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.590 2.163 -1.715 1.00 0.00 C ATOM 0 H ILE A 84 -6.606 0.076 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.138 1.041 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.345 -0.270 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.052 1.964 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.583 2.530 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.489 0.054 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.717 -1.078 -4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.661 0.591 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.310 3.189 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.673 2.059 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.118 1.485 -1.004 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.119 -1.239 -5.918 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.335 -2.515 -6.587 1.00 0.00 C ATOM 1345 C ASP A 85 -5.015 -3.208 -6.870 1.00 0.00 C ATOM 1346 O ASP A 85 -4.139 -2.659 -7.537 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.107 -2.319 -7.893 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.555 -1.958 -7.667 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -8.864 -0.751 -7.556 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -9.396 -2.882 -7.603 1.00 0.00 O ATOM 0 H ASP A 85 -5.910 -0.466 -6.549 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.925 -3.144 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.629 -1.534 -8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.053 -3.234 -8.483 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.858 -4.407 -6.351 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.647 -5.175 -6.560 1.00 0.00 C ATOM 1357 C VAL A 86 -3.892 -6.370 -7.479 1.00 0.00 C ATOM 1358 O VAL A 86 -4.883 -7.094 -7.341 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.046 -5.654 -5.221 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -1.946 -6.665 -5.453 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.516 -4.472 -4.438 1.00 0.00 C ATOM 0 H VAL A 86 -5.559 -4.875 -5.777 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.931 -4.511 -7.044 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.834 -6.138 -4.644 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.539 -6.987 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.350 -7.527 -5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.154 -6.211 -6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.094 -4.820 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.742 -3.969 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.329 -3.775 -4.236 1.00 0.00 H new ATOM 1371 N PHE A 87 -2.958 -6.597 -8.392 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.067 -7.672 -9.376 1.00 0.00 C ATOM 1373 C PHE A 87 -1.796 -8.514 -9.370 1.00 0.00 C ATOM 1374 O PHE A 87 -0.712 -8.008 -9.076 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.293 -7.088 -10.778 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.489 -6.183 -10.871 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.381 -4.838 -10.555 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.721 -6.675 -11.267 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.473 -4.005 -10.631 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.820 -5.843 -11.346 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.694 -4.506 -11.027 1.00 0.00 C ATOM 0 H PHE A 87 -2.105 -6.044 -8.474 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.917 -8.302 -9.113 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.404 -6.533 -11.078 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.412 -7.907 -11.488 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.427 -4.439 -10.245 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.823 -7.721 -11.517 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.373 -2.959 -10.381 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.776 -6.237 -11.657 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.552 -3.853 -11.088 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.915 -9.798 -9.681 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.757 -10.685 -9.713 1.00 0.00 C ATOM 1393 C GLN A 88 -0.242 -10.860 -11.138 1.00 0.00 C ATOM 1394 O GLN A 88 -0.908 -11.445 -11.993 1.00 0.00 O ATOM 1395 CB GLN A 88 -1.087 -12.053 -9.096 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.920 -12.134 -7.579 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.904 -11.272 -6.809 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.999 -11.704 -6.482 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.515 -10.051 -6.504 1.00 0.00 N ATOM 0 H GLN A 88 -2.800 -10.249 -9.915 1.00 0.00 H new ATOM 0 HA GLN A 88 0.028 -10.221 -9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.116 -12.310 -9.347 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.449 -12.807 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.036 -13.171 -7.265 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.095 -11.833 -7.318 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.594 -9.722 -6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.135 -9.434 -5.979 1.00 0.00 H new