USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 68 ASN : amide:sc= 0.745 K(o=0.94,f=-0.11) USER MOD Set 1.2: A 70 THR OG1 : rot 103:sc= 0.199 USER MOD Set 2.1: A 35 LYS NZ :NH3+ -170:sc= 1.09 (180deg=-0.183) USER MOD Set 2.2: A 38 THR OG1 : rot -70:sc= -1.25! USER MOD Single : A 17 HIS : no HE2:sc= -0.864 X(o=-0.86,f=-0.95) USER MOD Single : A 19 ASN : amide:sc= -0.92 K(o=-0.92,f=-3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.962 K(o=-0.96,f=-3.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.0262 X(o=-0.026,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= -0.0212 (180deg=-0.167) USER MOD Single : A 37 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 41 SER OG : rot 89:sc= 1.22 USER MOD Single : A 44 MET CE :methyl 135:sc= -0.175 (180deg=-0.858) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.0521 (180deg=-0.271) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 59:sc= 1.15 USER MOD Single : A 51 GLN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -110:sc= -1.52 (180deg=-3.52!) USER MOD Single : A 57 GLN : amide:sc= -1.59! K(o=-1.6!,f=-0.016) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 75 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.49) USER MOD Single : A 78 MET CE :methyl -131:sc= -2.01! (180deg=-2.98!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.474 11.300 9.799 1.00 0.00 N ATOM 243 CA HIS A 17 -6.000 10.362 8.810 1.00 0.00 C ATOM 244 C HIS A 17 -7.132 9.416 8.441 1.00 0.00 C ATOM 245 O HIS A 17 -8.211 9.493 9.011 1.00 0.00 O ATOM 246 CB HIS A 17 -4.794 9.579 9.360 1.00 0.00 C ATOM 247 CG HIS A 17 -5.087 8.767 10.590 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.247 9.315 11.842 1.00 0.00 N ATOM 249 CD2 HIS A 17 -5.274 7.442 10.739 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.525 8.363 12.705 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.553 7.209 12.065 1.00 0.00 N ATOM 0 HA HIS A 17 -5.677 10.898 7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.423 8.914 8.581 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.993 10.282 9.587 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.163 10.307 12.066 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.215 6.698 9.959 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.701 8.502 13.761 1.00 0.00 H new ATOM 260 N ILE A 18 -6.906 8.522 7.504 1.00 0.00 N ATOM 261 CA ILE A 18 -7.952 7.597 7.101 1.00 0.00 C ATOM 262 C ILE A 18 -7.469 6.167 7.129 1.00 0.00 C ATOM 263 O ILE A 18 -6.279 5.896 7.298 1.00 0.00 O ATOM 264 CB ILE A 18 -8.530 7.906 5.702 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.433 7.882 4.627 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.258 9.246 5.709 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.966 7.909 3.210 1.00 0.00 C ATOM 0 H ILE A 18 -6.020 8.413 7.010 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.750 7.730 7.832 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.249 7.125 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.774 8.738 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.826 6.986 4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.659 9.448 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.075 9.212 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.561 10.037 5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.133 7.890 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.601 7.039 3.044 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.548 8.818 3.058 1.00 0.00 H new ATOM 279 N ASN A 19 -8.391 5.248 6.993 1.00 0.00 N ATOM 280 CA ASN A 19 -8.072 3.842 6.985 1.00 0.00 C ATOM 281 C ASN A 19 -8.015 3.354 5.557 1.00 0.00 C ATOM 282 O ASN A 19 -8.765 3.814 4.717 1.00 0.00 O ATOM 283 CB ASN A 19 -9.131 3.046 7.755 1.00 0.00 C ATOM 284 CG ASN A 19 -9.375 3.591 9.146 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.722 3.194 10.104 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.326 4.501 9.260 1.00 0.00 N ATOM 0 H ASN A 19 -9.384 5.453 6.885 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.106 3.696 7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.066 3.058 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.816 2.005 7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.541 4.902 10.173 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.845 4.803 8.435 1.00 0.00 H new ATOM 293 N LEU A 20 -7.113 2.465 5.274 1.00 0.00 N ATOM 294 CA LEU A 20 -7.002 1.880 3.953 1.00 0.00 C ATOM 295 C LEU A 20 -6.947 0.376 4.057 1.00 0.00 C ATOM 296 O LEU A 20 -6.717 -0.180 5.134 1.00 0.00 O ATOM 297 CB LEU A 20 -5.763 2.403 3.215 1.00 0.00 C ATOM 298 CG LEU A 20 -6.008 3.509 2.180 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.066 3.082 1.176 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.405 4.806 2.851 1.00 0.00 C ATOM 0 H LEU A 20 -6.428 2.118 5.945 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.883 2.170 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.056 2.777 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.284 1.563 2.712 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.074 3.678 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.224 3.881 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.734 2.183 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.000 2.876 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.572 5.571 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.321 4.655 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.608 5.127 3.522 1.00 0.00 H new ATOM 312 N LYS A 21 -7.174 -0.286 2.955 1.00 0.00 N ATOM 313 CA LYS A 21 -7.147 -1.724 2.905 1.00 0.00 C ATOM 314 C LYS A 21 -6.397 -2.184 1.690 1.00 0.00 C ATOM 315 O LYS A 21 -6.417 -1.533 0.650 1.00 0.00 O ATOM 316 CB LYS A 21 -8.558 -2.279 2.853 1.00 0.00 C ATOM 317 CG LYS A 21 -9.380 -2.007 4.087 1.00 0.00 C ATOM 318 CD LYS A 21 -10.854 -2.281 3.842 1.00 0.00 C ATOM 319 CE LYS A 21 -11.096 -3.725 3.439 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.515 -3.970 3.068 1.00 0.00 N ATOM 0 H LYS A 21 -7.384 0.159 2.061 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.649 -2.087 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.070 -1.855 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.506 -3.356 2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.024 -2.630 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.247 -0.969 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.421 -2.055 4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.223 -1.618 3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.452 -3.979 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.818 -4.383 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.636 -4.967 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.128 -3.753 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.774 -3.362 2.265 1.00 0.00 H new ATOM 334 N VAL A 22 -5.739 -3.298 1.807 1.00 0.00 N ATOM 335 CA VAL A 22 -5.022 -3.866 0.689 1.00 0.00 C ATOM 336 C VAL A 22 -5.447 -5.295 0.468 1.00 0.00 C ATOM 337 O VAL A 22 -5.278 -6.155 1.340 1.00 0.00 O ATOM 338 CB VAL A 22 -3.488 -3.805 0.867 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.804 -4.554 -0.252 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.007 -2.368 0.888 1.00 0.00 C ATOM 0 H VAL A 22 -5.680 -3.840 2.669 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.273 -3.261 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.237 -4.272 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.724 -4.504 -0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.123 -5.596 -0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.071 -4.103 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.925 -2.348 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.272 -1.882 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.478 -1.839 1.716 1.00 0.00 H new ATOM 350 N ALA A 23 -6.022 -5.543 -0.684 1.00 0.00 N ATOM 351 CA ALA A 23 -6.459 -6.861 -1.049 1.00 0.00 C ATOM 352 C ALA A 23 -5.353 -7.582 -1.770 1.00 0.00 C ATOM 353 O ALA A 23 -4.861 -7.126 -2.800 1.00 0.00 O ATOM 354 CB ALA A 23 -7.708 -6.800 -1.910 1.00 0.00 C ATOM 0 H ALA A 23 -6.199 -4.832 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.708 -7.410 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.018 -7.811 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.508 -6.307 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.496 -6.238 -2.819 1.00 0.00 H new ATOM 360 N GLY A 24 -4.955 -8.697 -1.233 1.00 0.00 N ATOM 361 CA GLY A 24 -3.914 -9.457 -1.829 1.00 0.00 C ATOM 362 C GLY A 24 -4.471 -10.408 -2.848 1.00 0.00 C ATOM 363 O GLY A 24 -5.654 -10.759 -2.802 1.00 0.00 O ATOM 0 H GLY A 24 -5.342 -9.096 -0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.194 -8.789 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.376 -10.013 -1.061 1.00 0.00 H new ATOM 367 N GLN A 25 -3.633 -10.854 -3.755 1.00 0.00 N ATOM 368 CA GLN A 25 -4.045 -11.788 -4.800 1.00 0.00 C ATOM 369 C GLN A 25 -4.539 -13.118 -4.210 1.00 0.00 C ATOM 370 O GLN A 25 -5.231 -13.893 -4.869 1.00 0.00 O ATOM 371 CB GLN A 25 -2.906 -12.018 -5.806 1.00 0.00 C ATOM 372 CG GLN A 25 -1.489 -12.061 -5.210 1.00 0.00 C ATOM 373 CD GLN A 25 -1.360 -12.950 -3.984 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.453 -12.477 -2.851 1.00 0.00 O ATOM 375 NE2 GLN A 25 -1.199 -14.231 -4.197 1.00 0.00 N ATOM 0 H GLN A 25 -2.650 -10.587 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.884 -11.339 -5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.090 -12.958 -6.327 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.942 -11.227 -6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.795 -12.411 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.187 -11.048 -4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.126 -14.584 -5.151 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.146 -14.876 -3.409 1.00 0.00 H new ATOM 384 N ASP A 26 -4.181 -13.366 -2.959 1.00 0.00 N ATOM 385 CA ASP A 26 -4.591 -14.567 -2.244 1.00 0.00 C ATOM 386 C ASP A 26 -6.055 -14.459 -1.810 1.00 0.00 C ATOM 387 O ASP A 26 -6.682 -15.443 -1.414 1.00 0.00 O ATOM 388 CB ASP A 26 -3.685 -14.772 -1.021 1.00 0.00 C ATOM 389 CG ASP A 26 -4.045 -15.998 -0.213 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.728 -17.123 -0.658 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.634 -15.844 0.877 1.00 0.00 O ATOM 0 H ASP A 26 -3.596 -12.738 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.495 -15.426 -2.908 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.650 -14.854 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.745 -13.892 -0.381 1.00 0.00 H new ATOM 396 N GLY A 27 -6.607 -13.263 -1.909 1.00 0.00 N ATOM 397 CA GLY A 27 -7.991 -13.046 -1.516 1.00 0.00 C ATOM 398 C GLY A 27 -8.124 -12.514 -0.103 1.00 0.00 C ATOM 399 O GLY A 27 -9.226 -12.419 0.438 1.00 0.00 O ATOM 0 H GLY A 27 -6.125 -12.433 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.455 -12.344 -2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.539 -13.985 -1.599 1.00 0.00 H new ATOM 403 N SER A 28 -7.010 -12.163 0.498 1.00 0.00 N ATOM 404 CA SER A 28 -7.003 -11.652 1.842 1.00 0.00 C ATOM 405 C SER A 28 -6.917 -10.159 1.798 1.00 0.00 C ATOM 406 O SER A 28 -6.507 -9.581 0.795 1.00 0.00 O ATOM 407 CB SER A 28 -5.821 -12.219 2.628 1.00 0.00 C ATOM 408 OG SER A 28 -5.899 -11.872 4.005 1.00 0.00 O ATOM 0 H SER A 28 -6.088 -12.225 0.067 1.00 0.00 H new ATOM 0 HA SER A 28 -7.923 -11.954 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.801 -13.304 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.888 -11.842 2.208 1.00 0.00 H new ATOM 0 HG SER A 28 -5.131 -12.250 4.482 1.00 0.00 H new ATOM 414 N VAL A 29 -7.302 -9.522 2.856 1.00 0.00 N ATOM 415 CA VAL A 29 -7.245 -8.099 2.898 1.00 0.00 C ATOM 416 C VAL A 29 -6.815 -7.604 4.271 1.00 0.00 C ATOM 417 O VAL A 29 -7.266 -8.103 5.307 1.00 0.00 O ATOM 418 CB VAL A 29 -8.597 -7.460 2.491 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.669 -7.717 3.538 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.437 -5.972 2.238 1.00 0.00 C ATOM 0 H VAL A 29 -7.659 -9.965 3.702 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.495 -7.788 2.171 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.920 -7.932 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.604 -7.256 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.815 -8.791 3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.357 -7.289 4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.399 -5.546 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.078 -5.485 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.719 -5.815 1.433 1.00 0.00 H new ATOM 430 N VAL A 30 -5.922 -6.652 4.283 1.00 0.00 N ATOM 431 CA VAL A 30 -5.464 -6.066 5.517 1.00 0.00 C ATOM 432 C VAL A 30 -6.081 -4.681 5.700 1.00 0.00 C ATOM 433 O VAL A 30 -6.212 -3.917 4.742 1.00 0.00 O ATOM 434 CB VAL A 30 -3.912 -5.968 5.557 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.390 -5.031 4.481 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.430 -5.535 6.934 1.00 0.00 C ATOM 0 H VAL A 30 -5.493 -6.261 3.444 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.781 -6.714 6.334 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.512 -6.962 5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.302 -4.984 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.689 -5.401 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.804 -4.034 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.342 -5.474 6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.849 -4.558 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.754 -6.262 7.678 1.00 0.00 H new ATOM 446 N GLN A 31 -6.498 -4.371 6.914 1.00 0.00 N ATOM 447 CA GLN A 31 -7.054 -3.070 7.228 1.00 0.00 C ATOM 448 C GLN A 31 -6.059 -2.302 8.086 1.00 0.00 C ATOM 449 O GLN A 31 -5.610 -2.789 9.125 1.00 0.00 O ATOM 450 CB GLN A 31 -8.368 -3.234 7.963 1.00 0.00 C ATOM 451 CG GLN A 31 -9.200 -4.382 7.428 1.00 0.00 C ATOM 452 CD GLN A 31 -10.585 -4.413 7.993 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.833 -5.016 9.037 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.497 -3.777 7.307 1.00 0.00 N ATOM 0 H GLN A 31 -6.461 -5.012 7.706 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.242 -2.516 6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.169 -3.398 9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.940 -2.310 7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.258 -4.306 6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.700 -5.323 7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.242 -3.292 6.447 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.464 -3.766 7.632 1.00 0.00 H new ATOM 463 N PHE A 32 -5.710 -1.120 7.652 1.00 0.00 N ATOM 464 CA PHE A 32 -4.685 -0.323 8.313 1.00 0.00 C ATOM 465 C PHE A 32 -4.978 1.157 8.202 1.00 0.00 C ATOM 466 O PHE A 32 -5.852 1.575 7.460 1.00 0.00 O ATOM 467 CB PHE A 32 -3.305 -0.632 7.727 1.00 0.00 C ATOM 468 CG PHE A 32 -3.247 -0.469 6.238 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.806 -1.424 5.408 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.657 0.642 5.671 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.778 -1.275 4.048 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.630 0.798 4.315 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.191 -0.161 3.497 1.00 0.00 C ATOM 0 H PHE A 32 -6.122 -0.674 6.832 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.690 -0.590 9.370 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.566 0.024 8.187 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.028 -1.654 7.985 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.271 -2.299 5.839 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.213 1.395 6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.215 -2.029 3.411 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.169 1.673 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.169 -0.036 2.424 1.00 0.00 H new ATOM 483 N LYS A 33 -4.248 1.953 8.951 1.00 0.00 N ATOM 484 CA LYS A 33 -4.462 3.382 8.964 1.00 0.00 C ATOM 485 C LYS A 33 -3.281 4.122 8.339 1.00 0.00 C ATOM 486 O LYS A 33 -2.124 3.743 8.524 1.00 0.00 O ATOM 487 CB LYS A 33 -4.689 3.850 10.391 1.00 0.00 C ATOM 488 CG LYS A 33 -5.650 2.960 11.160 1.00 0.00 C ATOM 489 CD LYS A 33 -6.011 3.549 12.513 1.00 0.00 C ATOM 490 CE LYS A 33 -4.783 3.729 13.390 1.00 0.00 C ATOM 491 NZ LYS A 33 -4.082 2.443 13.643 1.00 0.00 N ATOM 0 H LYS A 33 -3.497 1.632 9.562 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.346 3.607 8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.733 3.881 10.914 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.078 4.868 10.376 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.557 2.815 10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.200 1.977 11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.502 4.512 12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.725 2.897 13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.096 4.428 12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.079 4.173 14.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.380 2.573 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.773 1.722 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.601 2.133 12.774 1.00 0.00 H new ATOM 505 N ILE A 34 -3.580 5.171 7.587 1.00 0.00 N ATOM 506 CA ILE A 34 -2.556 5.985 6.945 1.00 0.00 C ATOM 507 C ILE A 34 -3.028 7.444 6.844 1.00 0.00 C ATOM 508 O ILE A 34 -4.228 7.720 6.746 1.00 0.00 O ATOM 509 CB ILE A 34 -2.201 5.437 5.531 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.095 6.277 4.878 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.438 5.392 4.647 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.612 5.732 3.550 1.00 0.00 C ATOM 0 H ILE A 34 -4.534 5.482 7.405 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.656 5.940 7.558 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.826 4.420 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.463 7.292 4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.249 6.341 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.169 5.006 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.185 4.741 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.848 6.397 4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.169 6.381 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.212 4.728 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.445 5.694 2.848 1.00 0.00 H new ATOM 524 N LYS A 35 -2.101 8.383 6.900 1.00 0.00 N ATOM 525 CA LYS A 35 -2.449 9.792 6.824 1.00 0.00 C ATOM 526 C LYS A 35 -2.564 10.229 5.384 1.00 0.00 C ATOM 527 O LYS A 35 -1.996 9.611 4.490 1.00 0.00 O ATOM 528 CB LYS A 35 -1.426 10.645 7.555 1.00 0.00 C ATOM 529 CG LYS A 35 -1.043 10.078 8.904 1.00 0.00 C ATOM 530 CD LYS A 35 -0.600 11.163 9.886 1.00 0.00 C ATOM 531 CE LYS A 35 0.642 11.902 9.402 1.00 0.00 C ATOM 532 NZ LYS A 35 1.795 10.986 9.201 1.00 0.00 N ATOM 0 H LYS A 35 -1.103 8.197 6.998 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.415 9.929 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.532 10.739 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.827 11.649 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.892 9.537 9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.237 9.356 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.412 11.875 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.397 10.712 10.857 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.418 12.412 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.912 12.670 10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.657 11.544 9.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.920 10.395 10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.615 10.377 8.377 1.00 0.00 H new ATOM 546 N ARG A 36 -3.291 11.306 5.154 1.00 0.00 N ATOM 547 CA ARG A 36 -3.525 11.808 3.812 1.00 0.00 C ATOM 548 C ARG A 36 -2.220 12.263 3.169 1.00 0.00 C ATOM 549 O ARG A 36 -1.960 11.993 1.999 1.00 0.00 O ATOM 550 CB ARG A 36 -4.522 12.979 3.838 1.00 0.00 C ATOM 551 CG ARG A 36 -5.746 12.762 4.725 1.00 0.00 C ATOM 552 CD ARG A 36 -6.422 11.424 4.460 1.00 0.00 C ATOM 553 NE ARG A 36 -6.804 11.247 3.053 1.00 0.00 N ATOM 554 CZ ARG A 36 -8.064 11.331 2.592 1.00 0.00 C ATOM 555 NH1 ARG A 36 -9.050 11.677 3.409 1.00 0.00 N ATOM 556 NH2 ARG A 36 -8.326 11.086 1.312 1.00 0.00 N ATOM 0 H ARG A 36 -3.735 11.856 5.889 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.945 10.995 3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.000 13.874 4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.859 13.173 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.447 12.814 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.461 13.567 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.749 10.618 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.310 11.341 5.086 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.064 11.047 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.853 11.880 4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.005 11.740 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.570 10.833 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.283 11.151 0.966 1.00 0.00 H new ATOM 570 N HIS A 37 -1.385 12.927 3.953 1.00 0.00 N ATOM 571 CA HIS A 37 -0.123 13.466 3.456 1.00 0.00 C ATOM 572 C HIS A 37 0.996 12.436 3.611 1.00 0.00 C ATOM 573 O HIS A 37 2.168 12.722 3.373 1.00 0.00 O ATOM 574 CB HIS A 37 0.228 14.745 4.225 1.00 0.00 C ATOM 575 CG HIS A 37 1.322 15.561 3.600 1.00 0.00 C ATOM 576 ND1 HIS A 37 2.417 16.022 4.299 1.00 0.00 N ATOM 577 CD2 HIS A 37 1.474 16.014 2.334 1.00 0.00 C ATOM 578 CE1 HIS A 37 3.189 16.721 3.492 1.00 0.00 C ATOM 579 NE2 HIS A 37 2.640 16.728 2.294 1.00 0.00 N ATOM 0 H HIS A 37 -1.558 13.108 4.942 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.231 13.700 2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.667 15.362 4.309 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.525 14.476 5.238 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.799 15.843 1.508 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.114 17.206 3.766 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.023 17.191 1.470 1.00 0.00 H new ATOM 588 N THR A 38 0.630 11.240 3.999 1.00 0.00 N ATOM 589 CA THR A 38 1.580 10.187 4.208 1.00 0.00 C ATOM 590 C THR A 38 1.731 9.324 2.955 1.00 0.00 C ATOM 591 O THR A 38 0.743 8.892 2.368 1.00 0.00 O ATOM 592 CB THR A 38 1.190 9.330 5.426 1.00 0.00 C ATOM 593 OG1 THR A 38 1.391 10.100 6.613 1.00 0.00 O ATOM 594 CG2 THR A 38 2.014 8.059 5.494 1.00 0.00 C ATOM 0 H THR A 38 -0.338 10.973 4.178 1.00 0.00 H new ATOM 0 HA THR A 38 2.548 10.645 4.414 1.00 0.00 H new ATOM 0 HB THR A 38 0.143 9.043 5.332 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.351 10.223 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.714 7.477 6.365 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.851 7.471 4.591 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.071 8.314 5.575 1.00 0.00 H new ATOM 602 N PRO A 39 2.979 9.085 2.526 1.00 0.00 N ATOM 603 CA PRO A 39 3.268 8.301 1.326 1.00 0.00 C ATOM 604 C PRO A 39 2.826 6.843 1.441 1.00 0.00 C ATOM 605 O PRO A 39 2.844 6.244 2.530 1.00 0.00 O ATOM 606 CB PRO A 39 4.794 8.378 1.200 1.00 0.00 C ATOM 607 CG PRO A 39 5.276 8.716 2.565 1.00 0.00 C ATOM 608 CD PRO A 39 4.209 9.569 3.178 1.00 0.00 C ATOM 0 HA PRO A 39 2.729 8.691 0.463 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.210 7.430 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.093 9.137 0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.442 7.815 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.226 9.249 2.523 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.167 9.446 4.260 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.378 10.628 2.984 1.00 0.00 H new ATOM 616 N LEU A 40 2.447 6.267 0.308 1.00 0.00 N ATOM 617 CA LEU A 40 2.021 4.872 0.222 1.00 0.00 C ATOM 618 C LEU A 40 3.148 3.918 0.607 1.00 0.00 C ATOM 619 O LEU A 40 2.927 2.728 0.783 1.00 0.00 O ATOM 620 CB LEU A 40 1.526 4.556 -1.191 1.00 0.00 C ATOM 621 CG LEU A 40 0.264 5.292 -1.628 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.031 5.118 -3.113 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.941 4.809 -0.848 1.00 0.00 C ATOM 0 H LEU A 40 2.426 6.757 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 40 1.204 4.730 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.324 4.789 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.342 3.484 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 40 0.405 6.353 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.874 5.651 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.881 5.519 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.082 4.058 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.828 5.349 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.081 3.742 -1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.782 4.988 0.215 1.00 0.00 H new ATOM 635 N SER A 41 4.363 4.442 0.705 1.00 0.00 N ATOM 636 CA SER A 41 5.526 3.658 1.090 1.00 0.00 C ATOM 637 C SER A 41 5.267 2.891 2.390 1.00 0.00 C ATOM 638 O SER A 41 5.589 1.706 2.499 1.00 0.00 O ATOM 639 CB SER A 41 6.750 4.572 1.238 1.00 0.00 C ATOM 640 OG SER A 41 7.944 3.820 1.369 1.00 0.00 O ATOM 0 H SER A 41 4.569 5.424 0.519 1.00 0.00 H new ATOM 0 HA SER A 41 5.723 2.927 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.824 5.227 0.370 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.624 5.213 2.111 1.00 0.00 H new ATOM 0 HG SER A 41 8.319 3.644 0.481 1.00 0.00 H new ATOM 672 N LEU A 43 2.281 2.261 3.574 1.00 0.00 N ATOM 673 CA LEU A 43 1.135 1.407 3.255 1.00 0.00 C ATOM 674 C LEU A 43 1.608 0.088 2.651 1.00 0.00 C ATOM 675 O LEU A 43 1.221 -0.997 3.098 1.00 0.00 O ATOM 676 CB LEU A 43 0.178 2.160 2.289 1.00 0.00 C ATOM 677 CG LEU A 43 -0.893 1.324 1.560 1.00 0.00 C ATOM 678 CD1 LEU A 43 -2.089 2.189 1.206 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.330 0.715 0.288 1.00 0.00 C ATOM 0 HA LEU A 43 0.589 1.175 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.331 2.938 2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.785 2.661 1.535 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.205 0.525 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.836 1.584 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.521 2.603 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.770 3.002 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.104 0.130 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.007 1.510 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.511 0.068 0.536 1.00 0.00 H new ATOM 691 N MET A 44 2.454 0.187 1.633 1.00 0.00 N ATOM 692 CA MET A 44 3.002 -0.977 0.963 1.00 0.00 C ATOM 693 C MET A 44 3.816 -1.803 1.927 1.00 0.00 C ATOM 694 O MET A 44 3.763 -3.033 1.918 1.00 0.00 O ATOM 695 CB MET A 44 3.868 -0.547 -0.220 1.00 0.00 C ATOM 696 CG MET A 44 3.082 -0.154 -1.456 1.00 0.00 C ATOM 697 SD MET A 44 4.048 0.828 -2.604 1.00 0.00 S ATOM 698 CE MET A 44 2.836 1.129 -3.879 1.00 0.00 C ATOM 0 H MET A 44 2.777 1.077 1.252 1.00 0.00 H new ATOM 0 HA MET A 44 2.176 -1.585 0.593 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.488 0.296 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.543 -1.363 -0.477 1.00 0.00 H new ATOM 0 HG2 MET A 44 2.731 -1.054 -1.960 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.198 0.409 -1.156 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.870 2.178 -4.173 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.054 0.502 -4.744 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.842 0.891 -3.500 1.00 0.00 H new ATOM 708 N LYS A 45 4.570 -1.126 2.774 1.00 0.00 N ATOM 709 CA LYS A 45 5.382 -1.793 3.761 1.00 0.00 C ATOM 710 C LYS A 45 4.504 -2.493 4.788 1.00 0.00 C ATOM 711 O LYS A 45 4.745 -3.634 5.129 1.00 0.00 O ATOM 712 CB LYS A 45 6.328 -0.799 4.445 1.00 0.00 C ATOM 713 CG LYS A 45 7.240 -1.421 5.499 1.00 0.00 C ATOM 714 CD LYS A 45 8.150 -2.495 4.913 1.00 0.00 C ATOM 715 CE LYS A 45 9.154 -1.917 3.917 1.00 0.00 C ATOM 716 NZ LYS A 45 10.007 -0.859 4.521 1.00 0.00 N ATOM 0 H LYS A 45 4.633 -0.108 2.793 1.00 0.00 H new ATOM 0 HA LYS A 45 5.987 -2.546 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.945 -0.321 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.734 -0.014 4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.849 -0.641 5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.632 -1.856 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.687 -2.994 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.543 -3.253 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.788 -2.719 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.618 -1.504 3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.806 -0.654 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.444 0.005 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.368 -1.186 5.440 1.00 0.00 H new ATOM 730 N ALA A 46 3.461 -1.810 5.253 1.00 0.00 N ATOM 731 CA ALA A 46 2.551 -2.371 6.247 1.00 0.00 C ATOM 732 C ALA A 46 1.976 -3.693 5.769 1.00 0.00 C ATOM 733 O ALA A 46 2.042 -4.703 6.472 1.00 0.00 O ATOM 734 CB ALA A 46 1.432 -1.392 6.564 1.00 0.00 C ATOM 0 H ALA A 46 3.225 -0.863 4.956 1.00 0.00 H new ATOM 0 HA ALA A 46 3.120 -2.554 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.765 -1.830 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.857 -0.469 6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.870 -1.175 5.655 1.00 0.00 H new ATOM 740 N TYR A 47 1.426 -3.700 4.560 1.00 0.00 N ATOM 741 CA TYR A 47 0.869 -4.913 3.988 1.00 0.00 C ATOM 742 C TYR A 47 1.946 -5.985 3.814 1.00 0.00 C ATOM 743 O TYR A 47 1.713 -7.178 4.084 1.00 0.00 O ATOM 744 CB TYR A 47 0.191 -4.622 2.647 1.00 0.00 C ATOM 745 CG TYR A 47 -0.130 -5.868 1.850 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.293 -6.583 2.082 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.738 -6.331 0.872 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.587 -7.722 1.365 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.453 -7.468 0.147 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.711 -8.162 0.396 1.00 0.00 C ATOM 751 OH TYR A 47 -1.002 -9.301 -0.322 1.00 0.00 O ATOM 0 H TYR A 47 1.355 -2.878 3.960 1.00 0.00 H new ATOM 0 HA TYR A 47 0.118 -5.291 4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.730 -4.068 2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.839 -3.978 2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.983 -6.241 2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.653 -5.791 0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.499 -8.267 1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.139 -7.813 -0.613 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.284 -9.474 -0.966 1.00 0.00 H new ATOM 761 N CYS A 48 3.128 -5.565 3.381 1.00 0.00 N ATOM 762 CA CYS A 48 4.239 -6.479 3.150 1.00 0.00 C ATOM 763 C CYS A 48 4.689 -7.128 4.451 1.00 0.00 C ATOM 764 O CYS A 48 4.937 -8.333 4.507 1.00 0.00 O ATOM 765 CB CYS A 48 5.398 -5.720 2.473 1.00 0.00 C ATOM 766 SG CYS A 48 7.055 -6.331 2.842 1.00 0.00 S ATOM 0 H CYS A 48 3.343 -4.588 3.181 1.00 0.00 H new ATOM 0 HA CYS A 48 3.910 -7.279 2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.250 -5.755 1.394 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.343 -4.672 2.768 1.00 0.00 H new ATOM 0 HG CYS A 48 7.146 -7.579 2.488 1.00 0.00 H new ATOM 772 N GLU A 49 4.754 -6.336 5.501 1.00 0.00 N ATOM 773 CA GLU A 49 5.172 -6.816 6.810 1.00 0.00 C ATOM 774 C GLU A 49 4.173 -7.825 7.362 1.00 0.00 C ATOM 775 O GLU A 49 4.550 -8.830 7.955 1.00 0.00 O ATOM 776 CB GLU A 49 5.313 -5.643 7.778 1.00 0.00 C ATOM 777 CG GLU A 49 6.363 -4.632 7.359 1.00 0.00 C ATOM 778 CD GLU A 49 7.780 -5.085 7.644 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.320 -5.888 6.866 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.367 -4.624 8.646 1.00 0.00 O ATOM 0 H GLU A 49 4.520 -5.343 5.476 1.00 0.00 H new ATOM 0 HA GLU A 49 6.137 -7.310 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.351 -5.139 7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.565 -6.027 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.260 -4.433 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.179 -3.691 7.878 1.00 0.00 H new ATOM 787 N ARG A 50 2.887 -7.557 7.149 1.00 0.00 N ATOM 788 CA ARG A 50 1.817 -8.430 7.639 1.00 0.00 C ATOM 789 C ARG A 50 1.851 -9.783 6.962 1.00 0.00 C ATOM 790 O ARG A 50 1.895 -10.821 7.617 1.00 0.00 O ATOM 791 CB ARG A 50 0.453 -7.787 7.400 1.00 0.00 C ATOM 792 CG ARG A 50 0.248 -6.462 8.105 1.00 0.00 C ATOM 793 CD ARG A 50 0.130 -6.624 9.612 1.00 0.00 C ATOM 794 NE ARG A 50 1.379 -7.055 10.251 1.00 0.00 N ATOM 795 CZ ARG A 50 1.498 -7.326 11.555 1.00 0.00 C ATOM 796 NH1 ARG A 50 0.443 -7.221 12.356 1.00 0.00 N ATOM 797 NH2 ARG A 50 2.665 -7.712 12.055 1.00 0.00 N ATOM 0 H ARG A 50 2.557 -6.738 6.638 1.00 0.00 H new ATOM 0 HA ARG A 50 1.977 -8.570 8.708 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.319 -7.638 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.323 -8.480 7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.082 -5.799 7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.653 -5.984 7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.185 -5.676 10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.652 -7.351 9.832 1.00 0.00 H new ATOM 0 HE ARG A 50 2.207 -7.154 9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.459 -6.933 11.976 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.535 -7.428 13.351 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.477 -7.803 11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.750 -7.917 13.050 1.00 0.00 H new ATOM 811 N GLN A 51 1.830 -9.771 5.642 1.00 0.00 N ATOM 812 CA GLN A 51 1.806 -11.004 4.864 1.00 0.00 C ATOM 813 C GLN A 51 3.164 -11.703 4.849 1.00 0.00 C ATOM 814 O GLN A 51 3.248 -12.904 4.586 1.00 0.00 O ATOM 815 CB GLN A 51 1.315 -10.736 3.436 1.00 0.00 C ATOM 816 CG GLN A 51 -0.176 -11.015 3.223 1.00 0.00 C ATOM 817 CD GLN A 51 -1.101 -10.151 4.077 1.00 0.00 C ATOM 818 OE1 GLN A 51 -2.166 -10.596 4.489 1.00 0.00 O ATOM 819 NE2 GLN A 51 -0.725 -8.905 4.311 1.00 0.00 N ATOM 0 H GLN A 51 1.829 -8.919 5.081 1.00 0.00 H new ATOM 0 HA GLN A 51 1.104 -11.679 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.518 -9.695 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.891 -11.351 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.417 -10.857 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.373 -12.065 3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.168 -8.566 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.328 -8.283 4.849 1.00 0.00 H new ATOM 828 N GLY A 52 4.226 -10.961 5.118 1.00 0.00 N ATOM 829 CA GLY A 52 5.553 -11.552 5.158 1.00 0.00 C ATOM 830 C GLY A 52 6.195 -11.641 3.788 1.00 0.00 C ATOM 831 O GLY A 52 7.289 -12.190 3.629 1.00 0.00 O ATOM 0 H GLY A 52 4.197 -9.960 5.310 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.190 -10.960 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.489 -12.551 5.590 1.00 0.00 H new ATOM 835 N LEU A 53 5.520 -11.109 2.789 1.00 0.00 N ATOM 836 CA LEU A 53 6.024 -11.115 1.428 1.00 0.00 C ATOM 837 C LEU A 53 6.914 -9.904 1.177 1.00 0.00 C ATOM 838 O LEU A 53 7.106 -9.076 2.060 1.00 0.00 O ATOM 839 CB LEU A 53 4.862 -11.195 0.413 1.00 0.00 C ATOM 840 CG LEU A 53 3.695 -10.215 0.617 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.095 -8.802 0.253 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.488 -10.655 -0.195 1.00 0.00 C ATOM 0 H LEU A 53 4.610 -10.661 2.896 1.00 0.00 H new ATOM 0 HA LEU A 53 6.638 -12.005 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.271 -11.034 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.462 -12.209 0.434 1.00 0.00 H new ATOM 0 HG LEU A 53 3.428 -10.223 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.249 -8.133 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.927 -8.486 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.398 -8.768 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.670 -9.952 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.750 -10.680 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.177 -11.649 0.125 1.00 0.00 H new ATOM 854 N SER A 54 7.479 -9.815 -0.005 1.00 0.00 N ATOM 855 CA SER A 54 8.342 -8.707 -0.355 1.00 0.00 C ATOM 856 C SER A 54 7.583 -7.678 -1.196 1.00 0.00 C ATOM 857 O SER A 54 6.974 -8.022 -2.209 1.00 0.00 O ATOM 858 CB SER A 54 9.548 -9.236 -1.126 1.00 0.00 C ATOM 859 OG SER A 54 10.264 -10.187 -0.352 1.00 0.00 O ATOM 0 H SER A 54 7.356 -10.503 -0.748 1.00 0.00 H new ATOM 0 HA SER A 54 8.680 -8.214 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.217 -9.694 -2.058 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.206 -8.409 -1.393 1.00 0.00 H new ATOM 0 HG SER A 54 11.032 -10.515 -0.865 1.00 0.00 H new ATOM 865 N MET A 55 7.630 -6.405 -0.782 1.00 0.00 N ATOM 866 CA MET A 55 6.943 -5.327 -1.512 1.00 0.00 C ATOM 867 C MET A 55 7.533 -5.140 -2.905 1.00 0.00 C ATOM 868 O MET A 55 6.872 -4.644 -3.817 1.00 0.00 O ATOM 869 CB MET A 55 7.002 -3.993 -0.746 1.00 0.00 C ATOM 870 CG MET A 55 8.414 -3.498 -0.448 1.00 0.00 C ATOM 871 SD MET A 55 8.551 -1.697 -0.484 1.00 0.00 S ATOM 872 CE MET A 55 7.272 -1.231 0.672 1.00 0.00 C ATOM 0 H MET A 55 8.133 -6.096 0.050 1.00 0.00 H new ATOM 0 HA MET A 55 5.899 -5.628 -1.605 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.478 -3.232 -1.325 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.463 -4.104 0.195 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.721 -3.861 0.533 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.104 -3.924 -1.176 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.448 -0.763 0.134 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.909 -2.119 1.190 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.677 -0.527 1.399 1.00 0.00 H new ATOM 882 N ARG A 56 8.779 -5.542 -3.071 1.00 0.00 N ATOM 883 CA ARG A 56 9.462 -5.419 -4.350 1.00 0.00 C ATOM 884 C ARG A 56 9.007 -6.519 -5.318 1.00 0.00 C ATOM 885 O ARG A 56 9.264 -6.458 -6.515 1.00 0.00 O ATOM 886 CB ARG A 56 10.979 -5.502 -4.142 1.00 0.00 C ATOM 887 CG ARG A 56 11.457 -6.873 -3.686 1.00 0.00 C ATOM 888 CD ARG A 56 12.949 -6.900 -3.427 1.00 0.00 C ATOM 889 NE ARG A 56 13.305 -6.271 -2.158 1.00 0.00 N ATOM 890 CZ ARG A 56 13.712 -6.945 -1.077 1.00 0.00 C ATOM 891 NH1 ARG A 56 13.763 -8.274 -1.095 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.058 -6.295 0.022 1.00 0.00 N ATOM 0 H ARG A 56 9.344 -5.960 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 56 9.209 -4.451 -4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.480 -5.244 -5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.277 -4.758 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.927 -7.157 -2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.208 -7.614 -4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.296 -7.933 -3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.465 -6.390 -4.240 1.00 0.00 H new ATOM 0 HE ARG A 56 13.239 -5.255 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.491 -8.783 -1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.074 -8.784 -0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.015 -5.276 0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.368 -6.813 0.844 1.00 0.00 H new ATOM 906 N GLN A 57 8.348 -7.536 -4.787 1.00 0.00 N ATOM 907 CA GLN A 57 7.879 -8.661 -5.592 1.00 0.00 C ATOM 908 C GLN A 57 6.407 -8.524 -5.921 1.00 0.00 C ATOM 909 O GLN A 57 5.816 -9.387 -6.578 1.00 0.00 O ATOM 910 CB GLN A 57 8.114 -9.962 -4.840 1.00 0.00 C ATOM 911 CG GLN A 57 9.559 -10.184 -4.457 1.00 0.00 C ATOM 912 CD GLN A 57 10.452 -10.434 -5.657 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.664 -11.573 -6.058 1.00 0.00 O ATOM 914 NE2 GLN A 57 10.959 -9.370 -6.249 1.00 0.00 N ATOM 0 H GLN A 57 8.123 -7.609 -3.795 1.00 0.00 H new ATOM 0 HA GLN A 57 8.439 -8.667 -6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.502 -9.967 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.778 -10.795 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.924 -9.313 -3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.624 -11.034 -3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.758 -8.439 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.552 -9.478 -7.072 1.00 0.00 H new ATOM 923 N ILE A 58 5.810 -7.452 -5.470 1.00 0.00 N ATOM 924 CA ILE A 58 4.401 -7.229 -5.687 1.00 0.00 C ATOM 925 C ILE A 58 4.153 -5.844 -6.225 1.00 0.00 C ATOM 926 O ILE A 58 5.064 -5.024 -6.313 1.00 0.00 O ATOM 927 CB ILE A 58 3.588 -7.412 -4.388 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.155 -6.536 -3.285 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.593 -8.861 -3.959 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.266 -6.439 -2.069 1.00 0.00 C ATOM 0 H ILE A 58 6.280 -6.714 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 58 4.074 -7.971 -6.416 1.00 0.00 H new ATOM 0 HB ILE A 58 2.558 -7.112 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.126 -6.929 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.326 -5.535 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.015 -8.971 -3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.149 -9.474 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.619 -9.185 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.737 -5.797 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.303 -6.017 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.116 -7.433 -1.648 1.00 0.00 H new ATOM 942 N ARG A 59 2.919 -5.583 -6.593 1.00 0.00 N ATOM 943 CA ARG A 59 2.525 -4.288 -7.097 1.00 0.00 C ATOM 944 C ARG A 59 1.162 -3.908 -6.583 1.00 0.00 C ATOM 945 O ARG A 59 0.315 -4.777 -6.322 1.00 0.00 O ATOM 946 CB ARG A 59 2.546 -4.252 -8.623 1.00 0.00 C ATOM 947 CG ARG A 59 3.933 -4.072 -9.216 1.00 0.00 C ATOM 948 CD ARG A 59 4.564 -2.760 -8.763 1.00 0.00 C ATOM 949 NE ARG A 59 3.831 -1.588 -9.247 1.00 0.00 N ATOM 950 CZ ARG A 59 3.828 -0.397 -8.634 1.00 0.00 C ATOM 951 NH1 ARG A 59 4.445 -0.240 -7.462 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.195 0.631 -9.190 1.00 0.00 N ATOM 0 H ARG A 59 2.160 -6.263 -6.551 1.00 0.00 H new ATOM 0 HA ARG A 59 3.251 -3.560 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.116 -5.178 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.907 -3.439 -8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.569 -4.906 -8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.871 -4.091 -10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.602 -2.736 -7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.593 -2.713 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 59 3.288 -1.685 -10.105 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.923 -1.029 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.439 0.670 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.713 0.512 -10.081 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.191 1.539 -8.726 1.00 0.00 H new ATOM 966 N PHE A 60 0.948 -2.609 -6.429 1.00 0.00 N ATOM 967 CA PHE A 60 -0.308 -2.082 -5.914 1.00 0.00 C ATOM 968 C PHE A 60 -1.028 -1.276 -6.985 1.00 0.00 C ATOM 969 O PHE A 60 -0.425 -0.421 -7.659 1.00 0.00 O ATOM 970 CB PHE A 60 -0.067 -1.189 -4.672 1.00 0.00 C ATOM 971 CG PHE A 60 0.447 -1.912 -3.460 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.647 -2.606 -3.494 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.262 -1.879 -2.279 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.120 -3.252 -2.374 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.206 -2.525 -1.153 1.00 0.00 C ATOM 976 CZ PHE A 60 1.399 -3.212 -1.202 1.00 0.00 C ATOM 0 H PHE A 60 1.638 -1.893 -6.657 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.928 -2.930 -5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.644 -0.407 -4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.003 -0.694 -4.412 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.218 -2.640 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.197 -1.340 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.056 -3.790 -2.415 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.362 -2.492 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.768 -3.718 -0.322 1.00 0.00 H new ATOM 986 N ARG A 61 -2.313 -1.540 -7.158 1.00 0.00 N ATOM 987 CA ARG A 61 -3.111 -0.810 -8.132 1.00 0.00 C ATOM 988 C ARG A 61 -4.446 -0.381 -7.533 1.00 0.00 C ATOM 989 O ARG A 61 -5.074 -1.118 -6.772 1.00 0.00 O ATOM 990 CB ARG A 61 -3.300 -1.635 -9.420 1.00 0.00 C ATOM 991 CG ARG A 61 -4.129 -2.892 -9.262 1.00 0.00 C ATOM 992 CD ARG A 61 -5.598 -2.660 -9.594 1.00 0.00 C ATOM 993 NE ARG A 61 -6.335 -3.922 -9.668 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.653 -4.024 -9.835 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.404 -2.933 -9.907 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.219 -5.220 -9.908 1.00 0.00 N ATOM 0 H ARG A 61 -2.826 -2.253 -6.638 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.571 0.097 -8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.769 -1.002 -10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.318 -1.912 -9.803 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.731 -3.672 -9.911 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.043 -3.255 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.047 -2.019 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.679 -2.134 -10.545 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.801 -4.787 -9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.973 -2.011 -9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.413 -3.016 -10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.646 -6.061 -9.836 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.228 -5.300 -10.036 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.866 0.817 -7.870 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.090 1.387 -7.359 1.00 0.00 C ATOM 1012 C PHE A 62 -6.813 2.127 -8.470 1.00 0.00 C ATOM 1013 O PHE A 62 -6.193 2.810 -9.262 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.763 2.352 -6.212 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.950 3.089 -5.661 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.755 2.506 -4.702 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.252 4.368 -6.098 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.841 3.183 -4.188 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.338 5.051 -5.590 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.133 4.458 -4.634 1.00 0.00 C ATOM 0 H PHE A 62 -4.362 1.428 -8.513 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.735 0.591 -6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.293 1.791 -5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.031 3.079 -6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.532 1.509 -4.351 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.630 4.837 -6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.463 2.717 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.564 6.047 -5.941 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.984 4.989 -4.233 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.126 1.973 -8.532 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.960 2.656 -9.534 1.00 0.00 C ATOM 1032 C ASP A 63 -8.494 2.375 -10.954 1.00 0.00 C ATOM 1033 O ASP A 63 -8.609 3.223 -11.844 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.984 4.165 -9.278 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.384 4.677 -9.020 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.992 4.271 -8.000 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.890 5.476 -9.835 1.00 0.00 O ATOM 0 H ASP A 63 -8.652 1.375 -7.895 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.970 2.259 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.350 4.397 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.561 4.685 -10.138 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.987 1.177 -11.185 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.530 0.818 -12.510 1.00 0.00 C ATOM 1044 C GLY A 64 -6.130 1.312 -12.829 1.00 0.00 C ATOM 1045 O GLY A 64 -5.566 0.973 -13.872 1.00 0.00 O ATOM 0 H GLY A 64 -7.883 0.447 -10.481 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.554 -0.267 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.225 1.223 -13.246 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.554 2.099 -11.946 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.233 2.653 -12.178 1.00 0.00 C ATOM 1051 C GLN A 65 -3.255 2.199 -11.107 1.00 0.00 C ATOM 1052 O GLN A 65 -3.627 2.009 -9.954 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.299 4.182 -12.219 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.837 4.803 -10.946 1.00 0.00 C ATOM 1055 CD GLN A 65 -4.926 6.299 -11.018 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -3.985 7.006 -10.665 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.048 6.788 -11.484 1.00 0.00 N ATOM 0 H GLN A 65 -5.978 2.371 -11.059 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.877 2.287 -13.141 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.300 4.575 -12.411 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.928 4.487 -13.056 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.826 4.395 -10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.195 4.522 -10.111 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.801 6.159 -11.764 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.169 7.797 -11.567 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.003 1.988 -11.479 1.00 0.00 N ATOM 1067 CA PRO A 66 -0.964 1.611 -10.536 1.00 0.00 C ATOM 1068 C PRO A 66 -0.509 2.812 -9.706 1.00 0.00 C ATOM 1069 O PRO A 66 -0.593 3.966 -10.158 1.00 0.00 O ATOM 1070 CB PRO A 66 0.165 1.122 -11.441 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.016 1.890 -12.705 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.496 2.096 -12.859 1.00 0.00 C ATOM 0 HA PRO A 66 -1.296 0.864 -9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.142 1.313 -10.996 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.098 0.048 -11.615 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.508 2.845 -12.659 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.392 1.343 -13.555 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.723 3.069 -13.295 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.941 1.343 -13.510 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.046 2.562 -8.493 1.00 0.00 N ATOM 1081 CA ILE A 67 0.433 3.632 -7.639 1.00 0.00 C ATOM 1082 C ILE A 67 1.787 3.302 -7.069 1.00 0.00 C ATOM 1083 O ILE A 67 2.085 2.150 -6.743 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.537 4.002 -6.471 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -0.958 2.763 -5.644 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.755 4.762 -6.989 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.099 1.968 -6.237 1.00 0.00 C ATOM 0 H ILE A 67 0.008 1.631 -8.080 1.00 0.00 H new ATOM 0 HA ILE A 67 0.496 4.504 -8.290 1.00 0.00 H new ATOM 0 HB ILE A 67 0.011 4.660 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.095 2.107 -5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.242 3.090 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.413 5.007 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.430 5.681 -7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.293 4.142 -7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.326 1.120 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.980 2.604 -6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.815 1.606 -7.225 1.00 0.00 H new ATOM 1099 N ASN A 68 2.621 4.300 -6.990 1.00 0.00 N ATOM 1100 CA ASN A 68 3.943 4.162 -6.435 1.00 0.00 C ATOM 1101 C ASN A 68 3.945 4.573 -4.982 1.00 0.00 C ATOM 1102 O ASN A 68 3.123 5.378 -4.553 1.00 0.00 O ATOM 1103 CB ASN A 68 4.950 5.001 -7.227 1.00 0.00 C ATOM 1104 CG ASN A 68 4.292 6.177 -7.918 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.881 6.085 -9.075 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.173 7.274 -7.218 1.00 0.00 N ATOM 0 H ASN A 68 2.403 5.243 -7.312 1.00 0.00 H new ATOM 0 HA ASN A 68 4.239 3.115 -6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.727 5.364 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.440 4.372 -7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.726 8.094 -7.628 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.527 7.310 -6.262 1.00 0.00 H new ATOM 1113 N GLU A 69 4.878 4.032 -4.226 1.00 0.00 N ATOM 1114 CA GLU A 69 4.989 4.310 -2.795 1.00 0.00 C ATOM 1115 C GLU A 69 5.269 5.785 -2.499 1.00 0.00 C ATOM 1116 O GLU A 69 5.099 6.253 -1.369 1.00 0.00 O ATOM 1117 CB GLU A 69 6.072 3.445 -2.180 1.00 0.00 C ATOM 1118 CG GLU A 69 7.322 3.334 -3.017 1.00 0.00 C ATOM 1119 CD GLU A 69 8.444 2.658 -2.274 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.737 3.065 -1.129 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.045 1.718 -2.827 1.00 0.00 O ATOM 0 H GLU A 69 5.584 3.386 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 69 4.024 4.071 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.336 3.852 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.671 2.446 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.101 2.774 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.640 4.330 -3.326 1.00 0.00 H new ATOM 1128 N THR A 70 5.695 6.513 -3.506 1.00 0.00 N ATOM 1129 CA THR A 70 6.001 7.919 -3.363 1.00 0.00 C ATOM 1130 C THR A 70 4.722 8.761 -3.387 1.00 0.00 C ATOM 1131 O THR A 70 4.702 9.908 -2.928 1.00 0.00 O ATOM 1132 CB THR A 70 6.938 8.366 -4.488 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.375 7.976 -5.742 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.297 7.709 -4.335 1.00 0.00 C ATOM 0 H THR A 70 5.839 6.148 -4.447 1.00 0.00 H new ATOM 0 HA THR A 70 6.493 8.067 -2.402 1.00 0.00 H new ATOM 0 HB THR A 70 7.058 9.448 -4.443 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.973 8.757 -6.177 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.952 8.036 -5.142 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.732 7.992 -3.377 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.184 6.626 -4.376 1.00 0.00 H new ATOM 1142 N ASP A 71 3.648 8.177 -3.900 1.00 0.00 N ATOM 1143 CA ASP A 71 2.364 8.867 -3.988 1.00 0.00 C ATOM 1144 C ASP A 71 1.624 8.769 -2.665 1.00 0.00 C ATOM 1145 O ASP A 71 1.940 7.925 -1.824 1.00 0.00 O ATOM 1146 CB ASP A 71 1.504 8.294 -5.130 1.00 0.00 C ATOM 1147 CG ASP A 71 1.426 9.221 -6.336 1.00 0.00 C ATOM 1148 OD1 ASP A 71 2.279 9.110 -7.244 1.00 0.00 O ATOM 1149 OD2 ASP A 71 0.513 10.059 -6.386 1.00 0.00 O ATOM 0 H ASP A 71 3.638 7.224 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 71 2.556 9.917 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.916 7.334 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.497 8.103 -4.759 1.00 0.00 H new ATOM 1154 N THR A 72 0.659 9.638 -2.464 1.00 0.00 N ATOM 1155 CA THR A 72 -0.117 9.656 -1.230 1.00 0.00 C ATOM 1156 C THR A 72 -1.587 9.357 -1.512 1.00 0.00 C ATOM 1157 O THR A 72 -2.058 9.543 -2.639 1.00 0.00 O ATOM 1158 CB THR A 72 -0.018 11.035 -0.546 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.368 12.064 -1.483 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.384 11.280 -0.010 1.00 0.00 C ATOM 0 H THR A 72 0.386 10.350 -3.142 1.00 0.00 H new ATOM 0 HA THR A 72 0.293 8.889 -0.573 1.00 0.00 H new ATOM 0 HB THR A 72 -0.712 11.053 0.295 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.306 12.939 -1.046 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.425 12.259 0.467 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.634 10.510 0.720 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.099 11.247 -0.832 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.350 8.901 -0.495 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.784 8.636 -0.654 1.00 0.00 C ATOM 1170 C PRO A 73 -4.577 9.934 -0.864 1.00 0.00 C ATOM 1171 O PRO A 73 -5.774 9.917 -1.171 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.179 7.970 0.671 1.00 0.00 C ATOM 1173 CG PRO A 73 -3.152 8.420 1.653 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.877 8.591 0.878 1.00 0.00 C ATOM 0 HA PRO A 73 -3.997 8.018 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.180 8.272 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.187 6.884 0.579 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.449 9.356 2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.028 7.687 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.265 9.396 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.269 7.687 0.899 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.904 11.062 -0.693 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.521 12.362 -0.887 1.00 0.00 C ATOM 1184 C ALA A 74 -4.251 12.877 -2.286 1.00 0.00 C ATOM 1185 O ALA A 74 -4.956 13.744 -2.786 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.010 13.355 0.136 1.00 0.00 C ATOM 0 H ALA A 74 -2.923 11.101 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.597 12.247 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.485 14.322 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.247 12.999 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.930 13.459 0.034 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.229 12.325 -2.930 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.846 12.751 -4.268 1.00 0.00 C ATOM 1194 C GLN A 75 -3.977 12.485 -5.251 1.00 0.00 C ATOM 1195 O GLN A 75 -4.225 13.263 -6.166 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.586 12.020 -4.716 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.799 12.761 -5.775 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.129 13.998 -5.222 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.708 15.081 -5.209 1.00 0.00 O ATOM 1200 NE2 GLN A 75 1.094 13.845 -4.756 1.00 0.00 N ATOM 0 H GLN A 75 -2.650 11.579 -2.544 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.643 13.822 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.946 11.853 -3.850 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.863 11.039 -5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.044 12.097 -6.196 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.465 13.043 -6.590 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.540 12.928 -4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.595 14.643 -4.366 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.676 11.384 -5.044 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.793 11.014 -5.893 1.00 0.00 C ATOM 1211 C LEU A 76 -7.115 11.188 -5.154 1.00 0.00 C ATOM 1212 O LEU A 76 -8.191 10.945 -5.703 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.641 9.566 -6.459 1.00 0.00 C ATOM 1214 CG LEU A 76 -5.030 8.472 -5.532 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.519 8.633 -5.392 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.690 8.475 -4.167 1.00 0.00 C ATOM 0 H LEU A 76 -4.487 10.725 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.793 11.689 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.628 9.225 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.026 9.623 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.224 7.509 -6.005 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.129 7.853 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.052 8.552 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.295 9.610 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.242 7.701 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.547 9.448 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.756 8.279 -4.278 1.00 0.00 H new ATOM 1228 N GLU A 77 -7.014 11.629 -3.897 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.167 11.861 -3.024 1.00 0.00 C ATOM 1230 C GLU A 77 -9.109 10.660 -2.968 1.00 0.00 C ATOM 1231 O GLU A 77 -10.267 10.728 -3.386 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.916 13.139 -3.412 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.066 14.393 -3.286 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.865 15.664 -3.421 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -9.444 16.118 -2.409 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -8.912 16.232 -4.533 1.00 0.00 O ATOM 0 H GLU A 77 -6.120 11.837 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.772 11.997 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.268 13.048 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.799 13.241 -2.781 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.563 14.388 -2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.289 14.376 -4.050 1.00 0.00 H new ATOM 1243 N MET A 78 -8.599 9.546 -2.462 1.00 0.00 N ATOM 1244 CA MET A 78 -9.401 8.332 -2.313 1.00 0.00 C ATOM 1245 C MET A 78 -10.325 8.436 -1.097 1.00 0.00 C ATOM 1246 O MET A 78 -10.267 9.410 -0.337 1.00 0.00 O ATOM 1247 CB MET A 78 -8.506 7.094 -2.192 1.00 0.00 C ATOM 1248 CG MET A 78 -7.413 7.225 -1.147 1.00 0.00 C ATOM 1249 SD MET A 78 -6.522 5.683 -0.853 1.00 0.00 S ATOM 1250 CE MET A 78 -6.007 5.236 -2.507 1.00 0.00 C ATOM 0 H MET A 78 -7.633 9.454 -2.147 1.00 0.00 H new ATOM 0 HA MET A 78 -10.014 8.227 -3.208 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.127 6.232 -1.948 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.047 6.893 -3.160 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.706 7.991 -1.465 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.854 7.567 -0.210 1.00 0.00 H new ATOM 0 HE1 MET A 78 -6.261 4.193 -2.698 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.516 5.872 -3.231 1.00 0.00 H new ATOM 0 HE3 MET A 78 -4.929 5.370 -2.601 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.166 7.435 -0.914 1.00 0.00 N ATOM 1261 CA GLU A 79 -12.120 7.411 0.184 1.00 0.00 C ATOM 1262 C GLU A 79 -11.551 6.605 1.354 1.00 0.00 C ATOM 1263 O GLU A 79 -10.647 5.787 1.173 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.435 6.779 -0.303 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.604 6.928 0.658 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.029 8.365 0.831 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -15.851 8.848 0.021 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -14.557 9.022 1.780 1.00 0.00 O ATOM 0 H GLU A 79 -11.209 6.616 -1.520 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.311 8.429 0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.707 7.229 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.266 5.718 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.448 6.344 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.328 6.515 1.628 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.054 6.846 2.560 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.604 6.088 3.717 1.00 0.00 C ATOM 1277 C ASP A 80 -12.133 4.674 3.682 1.00 0.00 C ATOM 1278 O ASP A 80 -13.251 4.417 3.232 1.00 0.00 O ATOM 1279 CB ASP A 80 -11.971 6.767 5.051 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.436 7.132 5.170 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.252 6.257 5.513 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -13.772 8.315 4.942 1.00 0.00 O ATOM 0 H ASP A 80 -12.764 7.551 2.759 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.516 6.057 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.705 6.101 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.371 7.670 5.165 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.297 3.758 4.135 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.590 2.335 4.184 1.00 0.00 C ATOM 1289 C GLU A 81 -11.637 1.736 2.795 1.00 0.00 C ATOM 1290 O GLU A 81 -12.194 0.660 2.587 1.00 0.00 O ATOM 1291 CB GLU A 81 -12.875 2.042 4.958 1.00 0.00 C ATOM 1292 CG GLU A 81 -12.799 2.438 6.418 1.00 0.00 C ATOM 1293 CD GLU A 81 -13.926 1.857 7.230 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -14.030 0.619 7.315 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -14.706 2.635 7.806 1.00 0.00 O ATOM 0 H GLU A 81 -10.369 3.989 4.489 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.773 1.858 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.703 2.572 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.098 0.977 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.847 2.106 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.820 3.525 6.498 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.026 2.421 1.837 1.00 0.00 N ATOM 1303 CA ASP A 82 -10.975 1.932 0.471 1.00 0.00 C ATOM 1304 C ASP A 82 -10.004 0.768 0.382 1.00 0.00 C ATOM 1305 O ASP A 82 -9.347 0.421 1.360 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.549 3.034 -0.486 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.265 2.937 -1.819 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.166 1.878 -2.482 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -11.936 3.915 -2.211 1.00 0.00 O ATOM 0 H ASP A 82 -10.560 3.316 1.984 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.973 1.599 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.753 4.005 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.473 2.978 -0.648 1.00 0.00 H new ATOM 1314 N THR A 83 -9.888 0.169 -0.779 1.00 0.00 N ATOM 1315 CA THR A 83 -9.039 -0.988 -0.934 1.00 0.00 C ATOM 1316 C THR A 83 -8.157 -0.871 -2.181 1.00 0.00 C ATOM 1317 O THR A 83 -8.524 -0.226 -3.162 1.00 0.00 O ATOM 1318 CB THR A 83 -9.885 -2.273 -1.022 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.040 -2.140 -0.180 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.081 -3.473 -0.561 1.00 0.00 C ATOM 0 H THR A 83 -10.370 0.463 -1.629 1.00 0.00 H new ATOM 0 HA THR A 83 -8.394 -1.039 -0.057 1.00 0.00 H new ATOM 0 HB THR A 83 -10.186 -2.421 -2.059 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.581 -2.955 -0.235 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.695 -4.371 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.201 -3.586 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.768 -3.326 0.473 1.00 0.00 H new ATOM 1328 N ILE A 84 -6.997 -1.504 -2.134 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.044 -1.497 -3.233 1.00 0.00 C ATOM 1330 C ILE A 84 -5.738 -2.939 -3.619 1.00 0.00 C ATOM 1331 O ILE A 84 -5.670 -3.807 -2.753 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.713 -0.759 -2.842 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.930 0.754 -2.695 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.608 -1.028 -3.846 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.617 1.160 -1.417 1.00 0.00 C ATOM 0 H ILE A 84 -6.687 -2.042 -1.325 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.483 -0.959 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.405 -1.160 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.963 1.255 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.521 1.108 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.704 -0.501 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.407 -2.099 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.918 -0.678 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.731 2.244 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.600 0.691 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.018 0.840 -0.564 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.574 -3.206 -4.905 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.305 -4.564 -5.372 1.00 0.00 C ATOM 1349 C ASP A 85 -3.830 -4.830 -5.399 1.00 0.00 C ATOM 1350 O ASP A 85 -3.037 -3.983 -5.832 1.00 0.00 O ATOM 1351 CB ASP A 85 -5.856 -4.762 -6.764 1.00 0.00 C ATOM 1352 CG ASP A 85 -5.714 -6.183 -7.279 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.086 -7.127 -6.558 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.254 -6.356 -8.433 1.00 0.00 O ATOM 0 H ASP A 85 -5.622 -2.505 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.789 -5.255 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.910 -4.486 -6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.345 -4.084 -7.448 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.454 -5.984 -4.942 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.083 -6.385 -4.940 1.00 0.00 C ATOM 1361 C VAL A 86 -1.898 -7.650 -5.733 1.00 0.00 C ATOM 1362 O VAL A 86 -2.691 -8.589 -5.646 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.540 -6.563 -3.496 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.385 -7.558 -3.442 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.091 -5.229 -2.960 1.00 0.00 C ATOM 0 H VAL A 86 -4.095 -6.678 -4.557 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.508 -5.589 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.347 -6.961 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.035 -7.653 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.725 -8.529 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.431 -7.203 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.710 -5.354 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.303 -4.827 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.935 -4.539 -2.948 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.852 -7.678 -6.501 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.532 -8.828 -7.312 1.00 0.00 C ATOM 1377 C PHE A 87 0.955 -9.094 -7.255 1.00 0.00 C ATOM 1378 O PHE A 87 1.753 -8.168 -7.099 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.019 -8.644 -8.760 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.799 -7.266 -9.333 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.619 -6.212 -8.956 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.211 -7.029 -10.250 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.435 -4.954 -9.473 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.399 -5.764 -10.778 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.427 -4.724 -10.387 1.00 0.00 C ATOM 0 H PHE A 87 -0.191 -6.906 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.055 -9.697 -6.912 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.511 -9.371 -9.394 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.084 -8.873 -8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.414 -6.384 -8.245 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.857 -7.838 -10.556 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.079 -4.144 -9.164 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.188 -5.588 -11.494 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.283 -3.735 -10.796 1.00 0.00 H new ATOM 1395 N GLN A 88 1.342 -10.351 -7.371 1.00 0.00 N ATOM 1396 CA GLN A 88 2.746 -10.701 -7.287 1.00 0.00 C ATOM 1397 C GLN A 88 3.241 -11.071 -8.664 1.00 0.00 C ATOM 1398 O GLN A 88 2.854 -12.099 -9.219 1.00 0.00 O ATOM 1399 CB GLN A 88 2.978 -11.871 -6.317 1.00 0.00 C ATOM 1400 CG GLN A 88 2.129 -11.827 -5.046 1.00 0.00 C ATOM 1401 CD GLN A 88 2.856 -12.371 -3.821 1.00 0.00 C ATOM 1402 OE1 GLN A 88 2.251 -13.006 -2.957 1.00 0.00 O ATOM 1403 NE2 GLN A 88 4.140 -12.065 -3.699 1.00 0.00 N ATOM 0 H GLN A 88 0.711 -11.138 -7.522 1.00 0.00 H new ATOM 0 HA GLN A 88 3.297 -9.841 -6.905 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.775 -12.805 -6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.030 -11.887 -6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.826 -10.798 -4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.217 -12.403 -5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.611 -11.537 -4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.657 -12.357 -2.870 1.00 0.00 H new