USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc= -2.29! C(o=-2.3!,f=-3.9!) USER MOD Set 2.1: A 48 CYS SG : rot 69:sc= -2.88! USER MOD Set 2.2: A 55 MET CE :methyl -141:sc= -0.955 (180deg=-2.14) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.12 K(o=-0.12,f=-3!) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.14) USER MOD Single : A 25 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.21) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.998 K(o=-1,f=-0.16) USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.107 (180deg=-0.519) USER MOD Single : A 37 HIS : no HD1:sc= -0.0309 X(o=-0.031,f=-0.031) USER MOD Single : A 38 THR OG1 : rot -153:sc= -1.2 USER MOD Single : A 41 SER OG : rot -129:sc= -0.0382 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 176:sc= -1.35 (180deg=-1.39) USER MOD Single : A 45 LYS NZ :NH3+ -144:sc= -0.234 (180deg=-1.52!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 51 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.18) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.63 K(o=-1.6,f=-1) USER MOD Single : A 65 GLN : amide:sc= -0.887 X(o=-0.89,f=-0.47) USER MOD Single : A 68 ASN : amide:sc= -2.21! K(o=-2.2!,f=-0.034) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 78 MET CE :methyl -144:sc= -0.122 (180deg=-2.93) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.15) USER MOD Single : A 89 GLN : amide:sc= -1.79! C(o=-1.8!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -1.217 15.523 1.025 1.00 0.00 N ATOM 243 CA HIS A 17 -0.943 14.120 1.165 1.00 0.00 C ATOM 244 C HIS A 17 -2.214 13.361 1.471 1.00 0.00 C ATOM 245 O HIS A 17 -3.080 13.834 2.197 1.00 0.00 O ATOM 246 CB HIS A 17 0.139 13.862 2.232 1.00 0.00 C ATOM 247 CG HIS A 17 -0.241 14.274 3.622 1.00 0.00 C ATOM 248 ND1 HIS A 17 0.021 15.521 4.136 1.00 0.00 N ATOM 249 CD2 HIS A 17 -0.865 13.589 4.602 1.00 0.00 C ATOM 250 CE1 HIS A 17 -0.426 15.586 5.370 1.00 0.00 C ATOM 251 NE2 HIS A 17 -0.971 14.426 5.682 1.00 0.00 N ATOM 0 HA HIS A 17 -0.551 13.754 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.380 12.799 2.236 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.047 14.393 1.945 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.216 12.569 4.546 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.358 16.446 6.020 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.400 14.191 6.577 1.00 0.00 H new ATOM 260 N ILE A 18 -2.315 12.180 0.937 1.00 0.00 N ATOM 261 CA ILE A 18 -3.503 11.383 1.094 1.00 0.00 C ATOM 262 C ILE A 18 -3.182 10.036 1.706 1.00 0.00 C ATOM 263 O ILE A 18 -2.017 9.643 1.825 1.00 0.00 O ATOM 264 CB ILE A 18 -4.249 11.179 -0.246 1.00 0.00 C ATOM 265 CG1 ILE A 18 -3.313 10.582 -1.299 1.00 0.00 C ATOM 266 CG2 ILE A 18 -4.837 12.497 -0.737 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.017 10.147 -2.566 1.00 0.00 C ATOM 0 H ILE A 18 -1.581 11.740 0.382 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.158 11.935 1.768 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.067 10.478 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.550 11.318 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.797 9.724 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.358 12.334 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.539 12.881 0.003 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.035 13.220 -0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.288 9.735 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.761 9.387 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.510 11.006 -3.022 1.00 0.00 H new ATOM 279 N ASN A 19 -4.211 9.336 2.104 1.00 0.00 N ATOM 280 CA ASN A 19 -4.073 8.026 2.694 1.00 0.00 C ATOM 281 C ASN A 19 -4.502 6.987 1.687 1.00 0.00 C ATOM 282 O ASN A 19 -5.494 7.161 1.003 1.00 0.00 O ATOM 283 CB ASN A 19 -4.946 7.925 3.957 1.00 0.00 C ATOM 284 CG ASN A 19 -4.839 6.582 4.663 1.00 0.00 C ATOM 285 OD1 ASN A 19 -5.549 5.638 4.333 1.00 0.00 O ATOM 286 ND2 ASN A 19 -3.971 6.501 5.656 1.00 0.00 N ATOM 0 H ASN A 19 -5.176 9.659 2.029 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.033 7.857 2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.660 8.715 4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.987 8.102 3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.874 5.630 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.398 7.309 5.900 1.00 0.00 H new ATOM 293 N LEU A 20 -3.750 5.933 1.564 1.00 0.00 N ATOM 294 CA LEU A 20 -4.109 4.868 0.652 1.00 0.00 C ATOM 295 C LEU A 20 -4.141 3.564 1.383 1.00 0.00 C ATOM 296 O LEU A 20 -3.247 3.257 2.167 1.00 0.00 O ATOM 297 CB LEU A 20 -3.150 4.781 -0.552 1.00 0.00 C ATOM 298 CG LEU A 20 -3.256 5.904 -1.598 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.706 6.167 -1.973 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.584 7.169 -1.108 1.00 0.00 C ATOM 0 H LEU A 20 -2.883 5.781 2.080 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.100 5.093 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.128 4.763 -0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.320 3.829 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.733 5.574 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.751 6.965 -2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.144 5.260 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.263 6.464 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.674 7.946 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.064 7.503 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.530 6.970 -0.916 1.00 0.00 H new ATOM 312 N LYS A 21 -5.173 2.798 1.159 1.00 0.00 N ATOM 313 CA LYS A 21 -5.308 1.524 1.797 1.00 0.00 C ATOM 314 C LYS A 21 -5.381 0.439 0.756 1.00 0.00 C ATOM 315 O LYS A 21 -6.006 0.604 -0.277 1.00 0.00 O ATOM 316 CB LYS A 21 -6.541 1.511 2.702 1.00 0.00 C ATOM 317 CG LYS A 21 -6.483 2.575 3.788 1.00 0.00 C ATOM 318 CD LYS A 21 -7.658 2.488 4.749 1.00 0.00 C ATOM 319 CE LYS A 21 -8.968 2.844 4.075 1.00 0.00 C ATOM 320 NZ LYS A 21 -10.078 2.962 5.058 1.00 0.00 N ATOM 0 H LYS A 21 -5.939 3.041 0.531 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.435 1.339 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.434 1.665 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.636 0.529 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.552 2.470 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.468 3.562 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.721 1.478 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.489 3.159 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.856 3.786 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.216 2.082 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.988 2.969 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.050 2.154 5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.973 3.846 5.596 1.00 0.00 H new ATOM 334 N VAL A 22 -4.764 -0.676 1.033 1.00 0.00 N ATOM 335 CA VAL A 22 -4.705 -1.764 0.078 1.00 0.00 C ATOM 336 C VAL A 22 -5.259 -3.023 0.714 1.00 0.00 C ATOM 337 O VAL A 22 -4.921 -3.346 1.845 1.00 0.00 O ATOM 338 CB VAL A 22 -3.257 -2.029 -0.408 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.210 -3.134 -1.420 1.00 0.00 C ATOM 340 CG2 VAL A 22 -2.594 -0.782 -0.940 1.00 0.00 C ATOM 0 H VAL A 22 -4.290 -0.862 1.917 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.302 -1.480 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.690 -2.348 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.180 -3.292 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.597 -4.051 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.819 -2.863 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.582 -1.020 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.167 -0.396 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.553 -0.028 -0.154 1.00 0.00 H new ATOM 350 N ALA A 23 -6.100 -3.739 -0.011 1.00 0.00 N ATOM 351 CA ALA A 23 -6.729 -4.937 0.513 1.00 0.00 C ATOM 352 C ALA A 23 -6.337 -6.153 -0.315 1.00 0.00 C ATOM 353 O ALA A 23 -6.431 -6.142 -1.547 1.00 0.00 O ATOM 354 CB ALA A 23 -8.243 -4.774 0.528 1.00 0.00 C ATOM 0 H ALA A 23 -6.364 -3.509 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.383 -5.090 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.703 -5.680 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.511 -3.926 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.600 -4.599 -0.487 1.00 0.00 H new ATOM 360 N GLY A 24 -5.902 -7.199 0.353 1.00 0.00 N ATOM 361 CA GLY A 24 -5.502 -8.401 -0.323 1.00 0.00 C ATOM 362 C GLY A 24 -6.559 -9.464 -0.225 1.00 0.00 C ATOM 363 O GLY A 24 -7.550 -9.303 0.495 1.00 0.00 O ATOM 0 H GLY A 24 -5.818 -7.235 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.302 -8.181 -1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.572 -8.770 0.109 1.00 0.00 H new ATOM 367 N GLN A 25 -6.355 -10.570 -0.909 1.00 0.00 N ATOM 368 CA GLN A 25 -7.338 -11.648 -0.927 1.00 0.00 C ATOM 369 C GLN A 25 -7.368 -12.382 0.394 1.00 0.00 C ATOM 370 O GLN A 25 -8.330 -13.075 0.719 1.00 0.00 O ATOM 371 CB GLN A 25 -7.050 -12.609 -2.068 1.00 0.00 C ATOM 372 CG GLN A 25 -7.042 -11.932 -3.422 1.00 0.00 C ATOM 373 CD GLN A 25 -8.318 -11.149 -3.685 1.00 0.00 C ATOM 374 OE1 GLN A 25 -9.300 -11.692 -4.184 1.00 0.00 O ATOM 375 NE2 GLN A 25 -8.296 -9.868 -3.375 1.00 0.00 N ATOM 0 H GLN A 25 -5.518 -10.752 -1.463 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.322 -11.206 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.084 -13.085 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.800 -13.400 -2.068 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.187 -11.259 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.913 -12.684 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.459 -9.458 -2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.116 -9.287 -3.548 1.00 0.00 H new ATOM 384 N ASP A 26 -6.311 -12.224 1.165 1.00 0.00 N ATOM 385 CA ASP A 26 -6.222 -12.826 2.487 1.00 0.00 C ATOM 386 C ASP A 26 -7.165 -12.134 3.463 1.00 0.00 C ATOM 387 O ASP A 26 -7.467 -12.657 4.534 1.00 0.00 O ATOM 388 CB ASP A 26 -4.788 -12.764 3.011 1.00 0.00 C ATOM 389 CG ASP A 26 -3.915 -13.872 2.468 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.413 -13.739 1.333 1.00 0.00 O ATOM 391 OD2 ASP A 26 -3.721 -14.878 3.176 1.00 0.00 O ATOM 0 H ASP A 26 -5.492 -11.678 0.898 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.519 -13.871 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.351 -11.801 2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.802 -12.819 4.100 1.00 0.00 H new ATOM 396 N GLY A 27 -7.622 -10.941 3.095 1.00 0.00 N ATOM 397 CA GLY A 27 -8.539 -10.203 3.937 1.00 0.00 C ATOM 398 C GLY A 27 -7.805 -9.207 4.778 1.00 0.00 C ATOM 399 O GLY A 27 -8.326 -8.683 5.757 1.00 0.00 O ATOM 0 H GLY A 27 -7.371 -10.473 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.275 -9.690 3.318 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.087 -10.894 4.578 1.00 0.00 H new ATOM 403 N SER A 28 -6.585 -8.938 4.388 1.00 0.00 N ATOM 404 CA SER A 28 -5.729 -8.046 5.106 1.00 0.00 C ATOM 405 C SER A 28 -5.573 -6.724 4.366 1.00 0.00 C ATOM 406 O SER A 28 -5.342 -6.699 3.152 1.00 0.00 O ATOM 407 CB SER A 28 -4.380 -8.712 5.292 1.00 0.00 C ATOM 408 OG SER A 28 -4.520 -9.936 6.002 1.00 0.00 O ATOM 0 H SER A 28 -6.159 -9.340 3.553 1.00 0.00 H new ATOM 0 HA SER A 28 -6.171 -7.827 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.924 -8.899 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.711 -8.045 5.835 1.00 0.00 H new ATOM 0 HG SER A 28 -3.640 -10.353 6.112 1.00 0.00 H new ATOM 414 N VAL A 29 -5.731 -5.629 5.088 1.00 0.00 N ATOM 415 CA VAL A 29 -5.578 -4.304 4.516 1.00 0.00 C ATOM 416 C VAL A 29 -4.510 -3.501 5.255 1.00 0.00 C ATOM 417 O VAL A 29 -4.418 -3.540 6.481 1.00 0.00 O ATOM 418 CB VAL A 29 -6.932 -3.532 4.503 1.00 0.00 C ATOM 419 CG1 VAL A 29 -7.633 -3.642 5.837 1.00 0.00 C ATOM 420 CG2 VAL A 29 -6.740 -2.065 4.121 1.00 0.00 C ATOM 0 H VAL A 29 -5.967 -5.633 6.080 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.252 -4.432 3.484 1.00 0.00 H new ATOM 0 HB VAL A 29 -7.561 -3.996 3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.575 -3.094 5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.832 -4.691 6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.999 -3.221 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.706 -1.559 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.078 -1.585 4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.300 -2.003 3.126 1.00 0.00 H new ATOM 430 N VAL A 30 -3.702 -2.772 4.503 1.00 0.00 N ATOM 431 CA VAL A 30 -2.653 -1.950 5.079 1.00 0.00 C ATOM 432 C VAL A 30 -2.903 -0.499 4.718 1.00 0.00 C ATOM 433 O VAL A 30 -3.298 -0.195 3.592 1.00 0.00 O ATOM 434 CB VAL A 30 -1.247 -2.353 4.585 1.00 0.00 C ATOM 435 CG1 VAL A 30 -0.175 -1.711 5.456 1.00 0.00 C ATOM 436 CG2 VAL A 30 -1.086 -3.865 4.558 1.00 0.00 C ATOM 0 H VAL A 30 -3.754 -2.734 3.485 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.679 -2.097 6.159 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.129 -1.989 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.811 -2.005 5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.270 -0.626 5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.297 -2.042 6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.086 -4.118 4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.229 -4.264 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.827 -4.298 3.886 1.00 0.00 H new ATOM 446 N GLN A 31 -2.722 0.396 5.672 1.00 0.00 N ATOM 447 CA GLN A 31 -2.954 1.809 5.435 1.00 0.00 C ATOM 448 C GLN A 31 -1.632 2.567 5.299 1.00 0.00 C ATOM 449 O GLN A 31 -0.667 2.290 6.014 1.00 0.00 O ATOM 450 CB GLN A 31 -3.797 2.419 6.568 1.00 0.00 C ATOM 451 CG GLN A 31 -5.118 1.693 6.867 1.00 0.00 C ATOM 452 CD GLN A 31 -4.982 0.529 7.842 1.00 0.00 C ATOM 453 OE1 GLN A 31 -5.044 0.712 9.055 1.00 0.00 O ATOM 454 NE2 GLN A 31 -4.851 -0.675 7.317 1.00 0.00 N ATOM 0 H GLN A 31 -2.415 0.170 6.618 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.504 1.903 4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.196 2.435 7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.020 3.455 6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.831 2.411 7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.536 1.322 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.803 -0.787 6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.798 -1.493 7.924 1.00 0.00 H new ATOM 463 N PHE A 32 -1.582 3.520 4.370 1.00 0.00 N ATOM 464 CA PHE A 32 -0.365 4.298 4.125 1.00 0.00 C ATOM 465 C PHE A 32 -0.688 5.782 3.964 1.00 0.00 C ATOM 466 O PHE A 32 -1.798 6.151 3.589 1.00 0.00 O ATOM 467 CB PHE A 32 0.329 3.818 2.845 1.00 0.00 C ATOM 468 CG PHE A 32 0.459 2.328 2.722 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.582 1.576 2.205 1.00 0.00 C ATOM 470 CD2 PHE A 32 1.618 1.680 3.111 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.473 0.215 2.079 1.00 0.00 C ATOM 472 CE2 PHE A 32 1.734 0.311 2.988 1.00 0.00 C ATOM 473 CZ PHE A 32 0.684 -0.422 2.469 1.00 0.00 C ATOM 0 H PHE A 32 -2.370 3.773 3.773 1.00 0.00 H new ATOM 0 HA PHE A 32 0.290 4.156 4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.226 4.193 1.985 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.324 4.261 2.800 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.493 2.068 1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.440 2.252 3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.294 -0.357 1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.642 -0.186 3.296 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.771 -1.494 2.369 1.00 0.00 H new ATOM 509 N ILE A 34 0.885 9.117 2.007 1.00 0.00 N ATOM 510 CA ILE A 34 1.856 9.622 1.031 1.00 0.00 C ATOM 511 C ILE A 34 1.337 10.893 0.370 1.00 0.00 C ATOM 512 O ILE A 34 0.154 11.207 0.456 1.00 0.00 O ATOM 513 CB ILE A 34 2.160 8.582 -0.087 1.00 0.00 C ATOM 514 CG1 ILE A 34 0.921 8.350 -0.960 1.00 0.00 C ATOM 515 CG2 ILE A 34 2.642 7.265 0.511 1.00 0.00 C ATOM 516 CD1 ILE A 34 1.191 7.515 -2.195 1.00 0.00 C ATOM 0 HA ILE A 34 2.773 9.824 1.584 1.00 0.00 H new ATOM 0 HB ILE A 34 2.956 8.984 -0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.153 7.859 -0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.518 9.315 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.848 6.555 -0.290 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.552 7.438 1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.871 6.859 1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.268 7.394 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.935 8.014 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.565 6.535 -1.897 1.00 0.00 H new ATOM 528 N LYS A 35 2.217 11.622 -0.290 1.00 0.00 N ATOM 529 CA LYS A 35 1.830 12.834 -0.994 1.00 0.00 C ATOM 530 C LYS A 35 1.169 12.497 -2.319 1.00 0.00 C ATOM 531 O LYS A 35 1.436 11.454 -2.907 1.00 0.00 O ATOM 532 CB LYS A 35 3.042 13.721 -1.232 1.00 0.00 C ATOM 533 CG LYS A 35 3.529 14.447 0.003 1.00 0.00 C ATOM 534 CD LYS A 35 4.819 15.187 -0.278 1.00 0.00 C ATOM 535 CE LYS A 35 6.020 14.257 -0.238 1.00 0.00 C ATOM 536 NZ LYS A 35 6.226 13.681 1.113 1.00 0.00 N ATOM 0 H LYS A 35 3.210 11.396 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 35 1.114 13.372 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.854 13.110 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.796 14.456 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.768 15.151 0.340 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.684 13.733 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.760 15.663 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.950 15.982 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.880 13.452 -0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.913 14.804 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.214 13.372 1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.015 14.401 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.593 12.866 1.243 1.00 0.00 H new ATOM 550 N ARG A 36 0.320 13.391 -2.808 1.00 0.00 N ATOM 551 CA ARG A 36 -0.382 13.167 -4.060 1.00 0.00 C ATOM 552 C ARG A 36 0.581 13.214 -5.244 1.00 0.00 C ATOM 553 O ARG A 36 0.276 12.732 -6.325 1.00 0.00 O ATOM 554 CB ARG A 36 -1.481 14.209 -4.258 1.00 0.00 C ATOM 555 CG ARG A 36 -0.963 15.631 -4.425 1.00 0.00 C ATOM 556 CD ARG A 36 -1.739 16.355 -5.499 1.00 0.00 C ATOM 557 NE ARG A 36 -1.171 17.668 -5.820 1.00 0.00 N ATOM 558 CZ ARG A 36 -1.855 18.675 -6.377 1.00 0.00 C ATOM 559 NH1 ARG A 36 -3.152 18.539 -6.652 1.00 0.00 N ATOM 560 NH2 ARG A 36 -1.240 19.817 -6.662 1.00 0.00 N ATOM 0 H ARG A 36 0.102 14.278 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.833 12.176 -4.011 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.067 13.941 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.156 14.177 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.049 16.169 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.095 15.610 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.761 15.743 -6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.772 16.480 -5.173 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.187 17.825 -5.604 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.630 17.664 -6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.667 19.310 -7.076 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.247 19.927 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.761 20.585 -7.086 1.00 0.00 H new ATOM 574 N HIS A 37 1.751 13.793 -5.033 1.00 0.00 N ATOM 575 CA HIS A 37 2.740 13.914 -6.090 1.00 0.00 C ATOM 576 C HIS A 37 3.820 12.858 -5.884 1.00 0.00 C ATOM 577 O HIS A 37 4.790 12.769 -6.632 1.00 0.00 O ATOM 578 CB HIS A 37 3.346 15.320 -6.078 1.00 0.00 C ATOM 579 CG HIS A 37 4.131 15.666 -7.312 1.00 0.00 C ATOM 580 ND1 HIS A 37 5.476 15.956 -7.297 1.00 0.00 N ATOM 581 CD2 HIS A 37 3.740 15.786 -8.603 1.00 0.00 C ATOM 582 CE1 HIS A 37 5.876 16.238 -8.521 1.00 0.00 C ATOM 583 NE2 HIS A 37 4.844 16.140 -9.331 1.00 0.00 N ATOM 0 H HIS A 37 2.039 14.187 -4.138 1.00 0.00 H new ATOM 0 HA HIS A 37 2.268 13.755 -7.060 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.544 16.048 -5.956 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.997 15.415 -5.209 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.742 15.631 -8.987 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.882 16.505 -8.810 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.863 16.302 -10.338 1.00 0.00 H new ATOM 592 N THR A 38 3.627 12.060 -4.857 1.00 0.00 N ATOM 593 CA THR A 38 4.523 10.992 -4.510 1.00 0.00 C ATOM 594 C THR A 38 4.004 9.670 -5.104 1.00 0.00 C ATOM 595 O THR A 38 2.822 9.369 -5.000 1.00 0.00 O ATOM 596 CB THR A 38 4.634 10.903 -2.966 1.00 0.00 C ATOM 597 OG1 THR A 38 5.639 11.813 -2.492 1.00 0.00 O ATOM 598 CG2 THR A 38 4.924 9.489 -2.485 1.00 0.00 C ATOM 0 H THR A 38 2.826 12.141 -4.231 1.00 0.00 H new ATOM 0 HA THR A 38 5.514 11.185 -4.921 1.00 0.00 H new ATOM 0 HB THR A 38 3.666 11.185 -2.553 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.010 11.480 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.992 9.482 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.121 8.825 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.868 9.146 -2.910 1.00 0.00 H new ATOM 606 N PRO A 39 4.885 8.878 -5.746 1.00 0.00 N ATOM 607 CA PRO A 39 4.490 7.623 -6.395 1.00 0.00 C ATOM 608 C PRO A 39 4.013 6.569 -5.396 1.00 0.00 C ATOM 609 O PRO A 39 4.642 6.337 -4.357 1.00 0.00 O ATOM 610 CB PRO A 39 5.769 7.160 -7.101 1.00 0.00 C ATOM 611 CG PRO A 39 6.878 7.824 -6.360 1.00 0.00 C ATOM 612 CD PRO A 39 6.331 9.137 -5.876 1.00 0.00 C ATOM 0 HA PRO A 39 3.647 7.768 -7.071 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.867 6.075 -7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.767 7.449 -8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.211 7.209 -5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.742 7.977 -7.007 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.774 9.430 -4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.533 9.942 -6.583 1.00 0.00 H new ATOM 620 N LEU A 40 2.902 5.913 -5.719 1.00 0.00 N ATOM 621 CA LEU A 40 2.323 4.897 -4.842 1.00 0.00 C ATOM 622 C LEU A 40 3.193 3.633 -4.743 1.00 0.00 C ATOM 623 O LEU A 40 3.003 2.807 -3.854 1.00 0.00 O ATOM 624 CB LEU A 40 0.836 4.544 -5.195 1.00 0.00 C ATOM 625 CG LEU A 40 0.443 4.242 -6.674 1.00 0.00 C ATOM 626 CD1 LEU A 40 0.071 5.508 -7.413 1.00 0.00 C ATOM 627 CD2 LEU A 40 1.535 3.495 -7.422 1.00 0.00 C ATOM 0 H LEU A 40 2.383 6.067 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 40 2.305 5.355 -3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.558 3.674 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.215 5.373 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.431 3.592 -6.635 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.198 5.264 -8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.777 5.982 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.920 6.192 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.212 3.309 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.445 4.095 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.732 2.545 -6.925 1.00 0.00 H new ATOM 639 N SER A 41 4.135 3.479 -5.675 1.00 0.00 N ATOM 640 CA SER A 41 5.029 2.318 -5.714 1.00 0.00 C ATOM 641 C SER A 41 5.700 2.063 -4.369 1.00 0.00 C ATOM 642 O SER A 41 5.980 0.916 -4.006 1.00 0.00 O ATOM 643 CB SER A 41 6.085 2.513 -6.791 1.00 0.00 C ATOM 644 OG SER A 41 6.565 3.848 -6.798 1.00 0.00 O ATOM 0 H SER A 41 4.300 4.153 -6.423 1.00 0.00 H new ATOM 0 HA SER A 41 4.420 1.444 -5.947 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.914 1.826 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.664 2.269 -7.766 1.00 0.00 H new ATOM 0 HG SER A 41 6.515 4.209 -7.708 1.00 0.00 H new ATOM 650 N LYS A 42 5.938 3.131 -3.627 1.00 0.00 N ATOM 651 CA LYS A 42 6.569 3.041 -2.328 1.00 0.00 C ATOM 652 C LYS A 42 5.710 2.203 -1.385 1.00 0.00 C ATOM 653 O LYS A 42 6.194 1.282 -0.731 1.00 0.00 O ATOM 654 CB LYS A 42 6.778 4.446 -1.757 1.00 0.00 C ATOM 655 CG LYS A 42 7.463 5.400 -2.730 1.00 0.00 C ATOM 656 CD LYS A 42 7.598 6.801 -2.153 1.00 0.00 C ATOM 657 CE LYS A 42 8.604 6.843 -1.019 1.00 0.00 C ATOM 658 NZ LYS A 42 8.776 8.214 -0.477 1.00 0.00 N ATOM 0 H LYS A 42 5.699 4.081 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 42 7.540 2.556 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.812 4.862 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.375 4.375 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.451 5.014 -2.981 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.893 5.443 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.906 7.491 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.628 7.142 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.278 6.176 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.565 6.470 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.472 8.197 0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.112 8.846 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.865 8.561 -0.115 1.00 0.00 H new ATOM 672 N LEU A 43 4.415 2.502 -1.347 1.00 0.00 N ATOM 673 CA LEU A 43 3.495 1.779 -0.486 1.00 0.00 C ATOM 674 C LEU A 43 3.213 0.387 -1.043 1.00 0.00 C ATOM 675 O LEU A 43 3.001 -0.561 -0.293 1.00 0.00 O ATOM 676 CB LEU A 43 2.181 2.575 -0.286 1.00 0.00 C ATOM 677 CG LEU A 43 1.173 2.574 -1.450 1.00 0.00 C ATOM 678 CD1 LEU A 43 0.261 1.352 -1.392 1.00 0.00 C ATOM 679 CD2 LEU A 43 0.350 3.848 -1.443 1.00 0.00 C ATOM 0 H LEU A 43 3.983 3.240 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 43 3.966 1.662 0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.678 2.180 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.443 3.610 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 43 1.739 2.528 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.439 1.381 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.863 0.445 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.293 1.356 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.357 3.829 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.196 3.923 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.011 4.709 -1.549 1.00 0.00 H new ATOM 691 N MET A 44 3.221 0.258 -2.371 1.00 0.00 N ATOM 692 CA MET A 44 2.941 -1.027 -3.001 1.00 0.00 C ATOM 693 C MET A 44 4.011 -2.043 -2.648 1.00 0.00 C ATOM 694 O MET A 44 3.714 -3.189 -2.299 1.00 0.00 O ATOM 695 CB MET A 44 2.808 -0.898 -4.524 1.00 0.00 C ATOM 696 CG MET A 44 1.663 -0.008 -4.976 1.00 0.00 C ATOM 697 SD MET A 44 1.183 -0.297 -6.696 1.00 0.00 S ATOM 698 CE MET A 44 2.734 -0.048 -7.554 1.00 0.00 C ATOM 0 H MET A 44 3.416 1.019 -3.022 1.00 0.00 H new ATOM 0 HA MET A 44 1.984 -1.376 -2.614 1.00 0.00 H new ATOM 0 HB2 MET A 44 3.741 -0.503 -4.927 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.671 -1.892 -4.951 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.801 -0.177 -4.330 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.952 1.036 -4.855 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.602 -0.264 -8.614 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.056 0.986 -7.432 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.490 -0.715 -7.139 1.00 0.00 H new ATOM 708 N LYS A 45 5.270 -1.634 -2.730 1.00 0.00 N ATOM 709 CA LYS A 45 6.360 -2.521 -2.377 1.00 0.00 C ATOM 710 C LYS A 45 6.378 -2.766 -0.886 1.00 0.00 C ATOM 711 O LYS A 45 6.663 -3.865 -0.433 1.00 0.00 O ATOM 712 CB LYS A 45 7.704 -1.975 -2.848 1.00 0.00 C ATOM 713 CG LYS A 45 7.814 -1.859 -4.356 1.00 0.00 C ATOM 714 CD LYS A 45 9.251 -1.644 -4.819 1.00 0.00 C ATOM 715 CE LYS A 45 10.111 -2.899 -4.634 1.00 0.00 C ATOM 716 NZ LYS A 45 10.773 -2.956 -3.293 1.00 0.00 N ATOM 0 H LYS A 45 5.556 -0.703 -3.035 1.00 0.00 H new ATOM 0 HA LYS A 45 6.195 -3.470 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.864 -0.993 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.499 -2.624 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.418 -2.764 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.196 -1.029 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.253 -1.355 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.691 -0.818 -4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.488 -3.784 -4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.874 -2.929 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.718 -3.380 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.863 -1.994 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.199 -3.534 -2.647 1.00 0.00 H new ATOM 730 N ALA A 46 6.017 -1.746 -0.116 1.00 0.00 N ATOM 731 CA ALA A 46 5.981 -1.861 1.329 1.00 0.00 C ATOM 732 C ALA A 46 4.934 -2.883 1.738 1.00 0.00 C ATOM 733 O ALA A 46 5.125 -3.653 2.680 1.00 0.00 O ATOM 734 CB ALA A 46 5.696 -0.514 1.963 1.00 0.00 C ATOM 0 H ALA A 46 5.745 -0.830 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 46 6.955 -2.198 1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.673 -0.620 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.478 0.192 1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.732 -0.144 1.614 1.00 0.00 H new ATOM 740 N TYR A 47 3.819 -2.898 1.006 1.00 0.00 N ATOM 741 CA TYR A 47 2.757 -3.854 1.237 1.00 0.00 C ATOM 742 C TYR A 47 3.287 -5.270 1.061 1.00 0.00 C ATOM 743 O TYR A 47 3.203 -6.095 1.961 1.00 0.00 O ATOM 744 CB TYR A 47 1.597 -3.603 0.262 1.00 0.00 C ATOM 745 CG TYR A 47 0.491 -4.644 0.322 1.00 0.00 C ATOM 746 CD1 TYR A 47 -0.585 -4.494 1.179 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.530 -5.775 -0.487 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.594 -5.438 1.233 1.00 0.00 C ATOM 749 CE2 TYR A 47 -0.471 -6.723 -0.442 1.00 0.00 C ATOM 750 CZ TYR A 47 -1.532 -6.550 0.420 1.00 0.00 C ATOM 751 OH TYR A 47 -2.531 -7.495 0.472 1.00 0.00 O ATOM 0 H TYR A 47 3.636 -2.248 0.242 1.00 0.00 H new ATOM 0 HA TYR A 47 2.391 -3.735 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.169 -2.623 0.471 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.992 -3.569 -0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.638 -3.624 1.817 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.360 -5.914 -1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.426 -5.305 1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.423 -7.595 -1.078 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.335 -8.214 -0.165 1.00 0.00 H new ATOM 761 N CYS A 48 3.865 -5.537 -0.099 1.00 0.00 N ATOM 762 CA CYS A 48 4.382 -6.854 -0.428 1.00 0.00 C ATOM 763 C CYS A 48 5.473 -7.283 0.547 1.00 0.00 C ATOM 764 O CYS A 48 5.477 -8.410 1.035 1.00 0.00 O ATOM 765 CB CYS A 48 4.931 -6.858 -1.856 1.00 0.00 C ATOM 766 SG CYS A 48 3.793 -6.190 -3.079 1.00 0.00 S ATOM 0 H CYS A 48 3.989 -4.846 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 48 3.560 -7.566 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.855 -6.280 -1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.187 -7.881 -2.133 1.00 0.00 H new ATOM 0 HG CYS A 48 3.663 -4.909 -2.897 1.00 0.00 H new ATOM 772 N GLU A 49 6.379 -6.366 0.852 1.00 0.00 N ATOM 773 CA GLU A 49 7.503 -6.651 1.727 1.00 0.00 C ATOM 774 C GLU A 49 7.063 -6.940 3.163 1.00 0.00 C ATOM 775 O GLU A 49 7.698 -7.723 3.865 1.00 0.00 O ATOM 776 CB GLU A 49 8.512 -5.504 1.672 1.00 0.00 C ATOM 777 CG GLU A 49 9.177 -5.375 0.306 1.00 0.00 C ATOM 778 CD GLU A 49 10.065 -4.156 0.175 1.00 0.00 C ATOM 779 OE1 GLU A 49 10.951 -3.960 1.029 1.00 0.00 O ATOM 780 OE2 GLU A 49 9.898 -3.398 -0.804 1.00 0.00 O ATOM 0 H GLU A 49 6.355 -5.408 0.501 1.00 0.00 H new ATOM 0 HA GLU A 49 7.985 -7.560 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.008 -4.569 1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.278 -5.661 2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.771 -6.269 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.405 -5.335 -0.462 1.00 0.00 H new ATOM 787 N ARG A 50 5.975 -6.323 3.609 1.00 0.00 N ATOM 788 CA ARG A 50 5.484 -6.573 4.961 1.00 0.00 C ATOM 789 C ARG A 50 4.547 -7.784 4.992 1.00 0.00 C ATOM 790 O ARG A 50 4.560 -8.572 5.936 1.00 0.00 O ATOM 791 CB ARG A 50 4.777 -5.332 5.544 1.00 0.00 C ATOM 792 CG ARG A 50 3.420 -5.027 4.928 1.00 0.00 C ATOM 793 CD ARG A 50 2.797 -3.771 5.523 1.00 0.00 C ATOM 794 NE ARG A 50 2.775 -3.798 6.991 1.00 0.00 N ATOM 795 CZ ARG A 50 3.023 -2.733 7.769 1.00 0.00 C ATOM 796 NH1 ARG A 50 3.411 -1.585 7.227 1.00 0.00 N ATOM 797 NH2 ARG A 50 2.916 -2.831 9.085 1.00 0.00 N ATOM 0 H ARG A 50 5.424 -5.658 3.067 1.00 0.00 H new ATOM 0 HA ARG A 50 6.351 -6.791 5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.650 -5.473 6.617 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.425 -4.465 5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.530 -4.903 3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.751 -5.873 5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.356 -2.897 5.187 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.779 -3.662 5.149 1.00 0.00 H new ATOM 0 HE ARG A 50 2.557 -4.683 7.449 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.522 -1.510 6.216 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.598 -0.778 7.822 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.644 -3.718 9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.105 -2.020 9.674 1.00 0.00 H new ATOM 811 N GLN A 51 3.746 -7.944 3.941 1.00 0.00 N ATOM 812 CA GLN A 51 2.771 -9.029 3.871 1.00 0.00 C ATOM 813 C GLN A 51 3.416 -10.349 3.519 1.00 0.00 C ATOM 814 O GLN A 51 2.879 -11.416 3.808 1.00 0.00 O ATOM 815 CB GLN A 51 1.693 -8.698 2.850 1.00 0.00 C ATOM 816 CG GLN A 51 0.859 -7.505 3.231 1.00 0.00 C ATOM 817 CD GLN A 51 0.062 -7.733 4.502 1.00 0.00 C ATOM 818 OE1 GLN A 51 -1.084 -8.164 4.458 1.00 0.00 O ATOM 819 NE2 GLN A 51 0.676 -7.472 5.641 1.00 0.00 N ATOM 0 H GLN A 51 3.753 -7.334 3.124 1.00 0.00 H new ATOM 0 HA GLN A 51 2.325 -9.129 4.861 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.162 -8.511 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.042 -9.563 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.508 -6.640 3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.176 -7.268 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.631 -7.114 5.635 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.195 -7.628 6.527 1.00 0.00 H new ATOM 828 N GLY A 52 4.567 -10.284 2.903 1.00 0.00 N ATOM 829 CA GLY A 52 5.248 -11.483 2.510 1.00 0.00 C ATOM 830 C GLY A 52 4.833 -11.928 1.131 1.00 0.00 C ATOM 831 O GLY A 52 4.691 -13.120 0.860 1.00 0.00 O ATOM 0 H GLY A 52 5.048 -9.417 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.325 -11.314 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.036 -12.275 3.228 1.00 0.00 H new ATOM 835 N LEU A 53 4.647 -10.967 0.244 1.00 0.00 N ATOM 836 CA LEU A 53 4.245 -11.252 -1.119 1.00 0.00 C ATOM 837 C LEU A 53 5.276 -10.713 -2.097 1.00 0.00 C ATOM 838 O LEU A 53 6.072 -9.836 -1.763 1.00 0.00 O ATOM 839 CB LEU A 53 2.875 -10.647 -1.437 1.00 0.00 C ATOM 840 CG LEU A 53 1.645 -11.389 -0.901 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.641 -12.846 -1.341 1.00 0.00 C ATOM 842 CD2 LEU A 53 1.538 -11.280 0.601 1.00 0.00 C ATOM 0 H LEU A 53 4.770 -9.975 0.447 1.00 0.00 H new ATOM 0 HA LEU A 53 4.175 -12.335 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.855 -9.630 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.781 -10.573 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 53 0.767 -10.906 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.756 -13.343 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.629 -12.897 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.536 -13.342 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.654 -11.818 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.427 -11.712 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.456 -10.231 0.885 1.00 0.00 H new ATOM 854 N SER A 54 5.273 -11.237 -3.304 1.00 0.00 N ATOM 855 CA SER A 54 6.180 -10.779 -4.330 1.00 0.00 C ATOM 856 C SER A 54 5.418 -10.001 -5.392 1.00 0.00 C ATOM 857 O SER A 54 4.253 -10.293 -5.664 1.00 0.00 O ATOM 858 CB SER A 54 6.898 -11.971 -4.962 1.00 0.00 C ATOM 859 OG SER A 54 7.613 -12.704 -3.986 1.00 0.00 O ATOM 0 H SER A 54 4.647 -11.986 -3.598 1.00 0.00 H new ATOM 0 HA SER A 54 6.922 -10.120 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.172 -12.621 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.583 -11.621 -5.734 1.00 0.00 H new ATOM 0 HG SER A 54 8.063 -13.463 -4.412 1.00 0.00 H new ATOM 865 N MET A 55 6.070 -9.015 -5.996 1.00 0.00 N ATOM 866 CA MET A 55 5.456 -8.208 -7.047 1.00 0.00 C ATOM 867 C MET A 55 4.996 -9.067 -8.218 1.00 0.00 C ATOM 868 O MET A 55 4.045 -8.737 -8.908 1.00 0.00 O ATOM 869 CB MET A 55 6.424 -7.129 -7.532 1.00 0.00 C ATOM 870 CG MET A 55 6.361 -5.876 -6.709 1.00 0.00 C ATOM 871 SD MET A 55 4.746 -5.096 -6.801 1.00 0.00 S ATOM 872 CE MET A 55 4.886 -3.938 -5.468 1.00 0.00 C ATOM 0 H MET A 55 7.031 -8.753 -5.775 1.00 0.00 H new ATOM 0 HA MET A 55 4.576 -7.728 -6.618 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.440 -7.522 -7.509 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.200 -6.887 -8.571 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.592 -6.112 -5.670 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.122 -5.176 -7.054 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.938 -3.882 -4.933 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.670 -4.264 -4.784 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.137 -2.954 -5.865 1.00 0.00 H new ATOM 882 N ARG A 56 5.691 -10.167 -8.447 1.00 0.00 N ATOM 883 CA ARG A 56 5.334 -11.096 -9.516 1.00 0.00 C ATOM 884 C ARG A 56 4.278 -12.108 -9.057 1.00 0.00 C ATOM 885 O ARG A 56 3.718 -12.850 -9.860 1.00 0.00 O ATOM 886 CB ARG A 56 6.571 -11.822 -10.065 1.00 0.00 C ATOM 887 CG ARG A 56 7.416 -12.529 -9.017 1.00 0.00 C ATOM 888 CD ARG A 56 8.566 -11.654 -8.540 1.00 0.00 C ATOM 889 NE ARG A 56 9.477 -11.309 -9.630 1.00 0.00 N ATOM 890 CZ ARG A 56 10.636 -10.662 -9.472 1.00 0.00 C ATOM 891 NH1 ARG A 56 11.050 -10.312 -8.257 1.00 0.00 N ATOM 892 NH2 ARG A 56 11.383 -10.378 -10.530 1.00 0.00 N ATOM 0 H ARG A 56 6.511 -10.444 -7.907 1.00 0.00 H new ATOM 0 HA ARG A 56 4.902 -10.502 -10.322 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.246 -12.555 -10.804 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.197 -11.099 -10.588 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.790 -12.802 -8.168 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.812 -13.456 -9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.168 -10.741 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.117 -12.174 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 56 9.210 -11.581 -10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.482 -10.537 -7.440 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.935 -9.818 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.073 -10.653 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.268 -9.884 -10.412 1.00 0.00 H new ATOM 906 N GLN A 57 4.017 -12.140 -7.758 1.00 0.00 N ATOM 907 CA GLN A 57 3.050 -13.077 -7.184 1.00 0.00 C ATOM 908 C GLN A 57 1.713 -12.424 -6.965 1.00 0.00 C ATOM 909 O GLN A 57 0.707 -13.097 -6.767 1.00 0.00 O ATOM 910 CB GLN A 57 3.561 -13.638 -5.864 1.00 0.00 C ATOM 911 CG GLN A 57 4.111 -15.048 -5.961 1.00 0.00 C ATOM 912 CD GLN A 57 4.931 -15.270 -7.210 1.00 0.00 C ATOM 913 OE1 GLN A 57 4.434 -15.773 -8.219 1.00 0.00 O ATOM 914 NE2 GLN A 57 6.158 -14.840 -7.173 1.00 0.00 N ATOM 0 H GLN A 57 4.462 -11.526 -7.075 1.00 0.00 H new ATOM 0 HA GLN A 57 2.926 -13.890 -7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.341 -12.981 -5.480 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.748 -13.626 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.727 -15.254 -5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.284 -15.758 -5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.529 -14.430 -6.316 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.749 -14.913 -8.001 1.00 0.00 H new ATOM 923 N ILE A 58 1.689 -11.110 -6.968 1.00 0.00 N ATOM 924 CA ILE A 58 0.440 -10.372 -6.781 1.00 0.00 C ATOM 925 C ILE A 58 0.387 -9.172 -7.710 1.00 0.00 C ATOM 926 O ILE A 58 1.316 -8.920 -8.466 1.00 0.00 O ATOM 927 CB ILE A 58 0.266 -9.865 -5.322 1.00 0.00 C ATOM 928 CG1 ILE A 58 1.251 -8.728 -5.029 1.00 0.00 C ATOM 929 CG2 ILE A 58 0.446 -11.002 -4.330 1.00 0.00 C ATOM 930 CD1 ILE A 58 1.156 -8.183 -3.624 1.00 0.00 C ATOM 0 H ILE A 58 2.513 -10.523 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.366 -11.070 -7.008 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.747 -9.479 -5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.266 -9.086 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.075 -7.917 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.320 -10.623 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.298 -11.775 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.445 -11.424 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.884 -7.382 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.153 -7.793 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.362 -8.980 -2.910 1.00 0.00 H new ATOM 942 N ARG A 59 -0.703 -8.433 -7.647 1.00 0.00 N ATOM 943 CA ARG A 59 -0.866 -7.223 -8.441 1.00 0.00 C ATOM 944 C ARG A 59 -1.830 -6.268 -7.781 1.00 0.00 C ATOM 945 O ARG A 59 -2.806 -6.683 -7.147 1.00 0.00 O ATOM 946 CB ARG A 59 -1.334 -7.532 -9.865 1.00 0.00 C ATOM 947 CG ARG A 59 -0.209 -7.719 -10.879 1.00 0.00 C ATOM 948 CD ARG A 59 0.654 -6.468 -10.996 1.00 0.00 C ATOM 949 NE ARG A 59 1.516 -6.505 -12.182 1.00 0.00 N ATOM 950 CZ ARG A 59 2.849 -6.632 -12.158 1.00 0.00 C ATOM 951 NH1 ARG A 59 3.491 -6.822 -11.010 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.536 -6.595 -13.293 1.00 0.00 N ATOM 0 H ARG A 59 -1.500 -8.650 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 59 0.115 -6.752 -8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.941 -8.437 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.980 -6.722 -10.204 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.412 -8.564 -10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.633 -7.962 -11.853 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.013 -5.588 -11.041 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.270 -6.368 -10.103 1.00 0.00 H new ATOM 0 HE ARG A 59 1.066 -6.428 -13.094 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.968 -6.872 -10.136 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.507 -6.917 -11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.049 -6.470 -14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.551 -6.691 -13.278 1.00 0.00 H new ATOM 966 N PHE A 60 -1.549 -4.983 -7.925 1.00 0.00 N ATOM 967 CA PHE A 60 -2.382 -3.931 -7.375 1.00 0.00 C ATOM 968 C PHE A 60 -3.264 -3.361 -8.477 1.00 0.00 C ATOM 969 O PHE A 60 -2.830 -3.209 -9.625 1.00 0.00 O ATOM 970 CB PHE A 60 -1.515 -2.819 -6.767 1.00 0.00 C ATOM 971 CG PHE A 60 -0.628 -3.276 -5.639 1.00 0.00 C ATOM 972 CD1 PHE A 60 0.495 -4.042 -5.898 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.913 -2.937 -4.319 1.00 0.00 C ATOM 974 CE1 PHE A 60 1.313 -4.465 -4.877 1.00 0.00 C ATOM 975 CE2 PHE A 60 -0.092 -3.361 -3.296 1.00 0.00 C ATOM 976 CZ PHE A 60 1.019 -4.123 -3.577 1.00 0.00 C ATOM 0 H PHE A 60 -0.732 -4.641 -8.430 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.007 -4.348 -6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.893 -2.388 -7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.166 -2.024 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.732 -4.311 -6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.783 -2.338 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.185 -5.064 -5.095 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.321 -3.095 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.662 -4.454 -2.775 1.00 0.00 H new ATOM 986 N ARG A 61 -4.485 -3.044 -8.139 1.00 0.00 N ATOM 987 CA ARG A 61 -5.447 -2.550 -9.104 1.00 0.00 C ATOM 988 C ARG A 61 -6.319 -1.469 -8.488 1.00 0.00 C ATOM 989 O ARG A 61 -6.731 -1.565 -7.332 1.00 0.00 O ATOM 990 CB ARG A 61 -6.282 -3.738 -9.628 1.00 0.00 C ATOM 991 CG ARG A 61 -7.471 -3.396 -10.521 1.00 0.00 C ATOM 992 CD ARG A 61 -8.754 -3.254 -9.711 1.00 0.00 C ATOM 993 NE ARG A 61 -9.938 -3.544 -10.515 1.00 0.00 N ATOM 994 CZ ARG A 61 -11.181 -3.628 -10.030 1.00 0.00 C ATOM 995 NH1 ARG A 61 -11.430 -3.365 -8.750 1.00 0.00 N ATOM 996 NH2 ARG A 61 -12.173 -3.965 -10.831 1.00 0.00 N ATOM 0 H ARG A 61 -4.847 -3.119 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.928 -2.091 -9.946 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.619 -4.402 -10.183 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.651 -4.300 -8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.271 -2.467 -11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.598 -4.174 -11.273 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.721 -3.930 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.823 -2.241 -9.314 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.808 -3.693 -11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.668 -3.096 -8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.383 -3.432 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.990 -4.160 -11.815 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.123 -4.031 -10.466 1.00 0.00 H new ATOM 1010 N PHE A 62 -6.581 -0.430 -9.257 1.00 0.00 N ATOM 1011 CA PHE A 62 -7.402 0.678 -8.815 1.00 0.00 C ATOM 1012 C PHE A 62 -8.185 1.222 -9.994 1.00 0.00 C ATOM 1013 O PHE A 62 -7.714 1.184 -11.121 1.00 0.00 O ATOM 1014 CB PHE A 62 -6.535 1.785 -8.197 1.00 0.00 C ATOM 1015 CG PHE A 62 -7.324 2.915 -7.612 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.836 2.822 -6.333 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.552 4.073 -8.337 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.560 3.858 -5.788 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.275 5.113 -7.798 1.00 0.00 C ATOM 1020 CZ PHE A 62 -8.780 5.005 -6.522 1.00 0.00 C ATOM 0 H PHE A 62 -6.229 -0.331 -10.209 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.093 0.325 -8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.908 1.350 -7.418 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.866 2.179 -8.962 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.666 1.926 -5.754 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.157 4.161 -9.338 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.955 3.773 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.445 6.010 -8.374 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.348 5.818 -6.096 1.00 0.00 H new ATOM 1030 N ASP A 63 -9.387 1.715 -9.731 1.00 0.00 N ATOM 1031 CA ASP A 63 -10.281 2.266 -10.772 1.00 0.00 C ATOM 1032 C ASP A 63 -10.524 1.259 -11.891 1.00 0.00 C ATOM 1033 O ASP A 63 -10.842 1.627 -13.022 1.00 0.00 O ATOM 1034 CB ASP A 63 -9.676 3.534 -11.369 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.638 4.701 -11.360 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.618 4.681 -12.134 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.421 5.643 -10.578 1.00 0.00 O ATOM 0 H ASP A 63 -9.782 1.750 -8.791 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.234 2.495 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.780 3.803 -10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.363 3.334 -12.394 1.00 0.00 H new ATOM 1042 N GLY A 64 -10.376 -0.012 -11.582 1.00 0.00 N ATOM 1043 CA GLY A 64 -10.598 -1.039 -12.569 1.00 0.00 C ATOM 1044 C GLY A 64 -9.401 -1.261 -13.482 1.00 0.00 C ATOM 1045 O GLY A 64 -9.460 -2.052 -14.420 1.00 0.00 O ATOM 0 H GLY A 64 -10.105 -0.354 -10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.839 -1.974 -12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.464 -0.771 -13.174 1.00 0.00 H new ATOM 1049 N GLN A 65 -8.314 -0.562 -13.230 1.00 0.00 N ATOM 1050 CA GLN A 65 -7.112 -0.713 -14.024 1.00 0.00 C ATOM 1051 C GLN A 65 -5.932 -1.121 -13.148 1.00 0.00 C ATOM 1052 O GLN A 65 -5.901 -0.815 -11.953 1.00 0.00 O ATOM 1053 CB GLN A 65 -6.794 0.588 -14.769 1.00 0.00 C ATOM 1054 CG GLN A 65 -6.702 1.812 -13.877 1.00 0.00 C ATOM 1055 CD GLN A 65 -6.260 3.048 -14.625 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -6.507 3.189 -15.818 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -5.605 3.953 -13.927 1.00 0.00 N ATOM 0 H GLN A 65 -8.238 0.121 -12.476 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.286 -1.502 -14.756 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.849 0.468 -15.299 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.563 0.759 -15.522 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.674 1.997 -13.420 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.001 1.613 -13.066 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.420 3.797 -12.936 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.283 4.810 -14.377 1.00 0.00 H new ATOM 1066 N PRO A 66 -4.960 -1.843 -13.720 1.00 0.00 N ATOM 1067 CA PRO A 66 -3.760 -2.246 -12.995 1.00 0.00 C ATOM 1068 C PRO A 66 -2.892 -1.039 -12.655 1.00 0.00 C ATOM 1069 O PRO A 66 -2.769 -0.098 -13.449 1.00 0.00 O ATOM 1070 CB PRO A 66 -3.033 -3.169 -13.982 1.00 0.00 C ATOM 1071 CG PRO A 66 -3.538 -2.764 -15.323 1.00 0.00 C ATOM 1072 CD PRO A 66 -4.958 -2.329 -15.114 1.00 0.00 C ATOM 0 HA PRO A 66 -3.988 -2.729 -12.045 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.952 -3.049 -13.913 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.251 -4.217 -13.777 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.938 -1.954 -15.738 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.483 -3.594 -16.028 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.246 -1.545 -15.814 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.657 -3.154 -15.254 1.00 0.00 H new ATOM 1080 N ILE A 67 -2.309 -1.046 -11.477 1.00 0.00 N ATOM 1081 CA ILE A 67 -1.470 0.052 -11.048 1.00 0.00 C ATOM 1082 C ILE A 67 -0.021 -0.208 -11.448 1.00 0.00 C ATOM 1083 O ILE A 67 0.437 -1.353 -11.454 1.00 0.00 O ATOM 1084 CB ILE A 67 -1.549 0.254 -9.513 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -3.004 0.389 -9.063 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -0.756 1.480 -9.093 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -3.157 0.574 -7.567 1.00 0.00 C ATOM 0 H ILE A 67 -2.400 -1.801 -10.797 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.831 0.957 -11.537 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.115 -0.623 -9.032 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.457 1.238 -9.575 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.555 -0.500 -9.370 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.824 1.605 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.288 1.353 -9.379 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.163 2.363 -9.586 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.214 0.663 -7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.733 -0.286 -7.049 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.634 1.478 -7.257 1.00 0.00 H new ATOM 1099 N ASN A 68 0.696 0.845 -11.796 1.00 0.00 N ATOM 1100 CA ASN A 68 2.095 0.723 -12.154 1.00 0.00 C ATOM 1101 C ASN A 68 2.917 1.392 -11.095 1.00 0.00 C ATOM 1102 O ASN A 68 2.427 2.267 -10.380 1.00 0.00 O ATOM 1103 CB ASN A 68 2.405 1.383 -13.511 1.00 0.00 C ATOM 1104 CG ASN A 68 1.185 1.646 -14.362 1.00 0.00 C ATOM 1105 OD1 ASN A 68 0.743 0.788 -15.121 1.00 0.00 O ATOM 1106 ND2 ASN A 68 0.657 2.845 -14.262 1.00 0.00 N ATOM 0 H ASN A 68 0.330 1.796 -11.838 1.00 0.00 H new ATOM 0 HA ASN A 68 2.333 -0.338 -12.235 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.922 2.326 -13.334 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.091 0.743 -14.066 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.154 3.094 -14.829 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.058 3.527 -13.618 1.00 0.00 H new ATOM 1113 N GLU A 69 4.167 1.018 -10.984 1.00 0.00 N ATOM 1114 CA GLU A 69 5.034 1.624 -9.999 1.00 0.00 C ATOM 1115 C GLU A 69 5.359 3.062 -10.402 1.00 0.00 C ATOM 1116 O GLU A 69 5.754 3.892 -9.578 1.00 0.00 O ATOM 1117 CB GLU A 69 6.317 0.807 -9.835 1.00 0.00 C ATOM 1118 CG GLU A 69 7.198 0.793 -11.065 1.00 0.00 C ATOM 1119 CD GLU A 69 8.423 -0.066 -10.889 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.224 0.215 -9.975 1.00 0.00 O ATOM 1121 OE2 GLU A 69 8.604 -1.013 -11.683 1.00 0.00 O ATOM 0 H GLU A 69 4.608 0.300 -11.560 1.00 0.00 H new ATOM 0 HA GLU A 69 4.517 1.638 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.887 1.208 -8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.052 -0.219 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.622 0.429 -11.916 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.504 1.812 -11.300 1.00 0.00 H new ATOM 1128 N THR A 70 5.170 3.354 -11.675 1.00 0.00 N ATOM 1129 CA THR A 70 5.451 4.655 -12.225 1.00 0.00 C ATOM 1130 C THR A 70 4.228 5.568 -12.180 1.00 0.00 C ATOM 1131 O THR A 70 4.260 6.694 -12.691 1.00 0.00 O ATOM 1132 CB THR A 70 5.917 4.506 -13.673 1.00 0.00 C ATOM 1133 OG1 THR A 70 5.048 3.576 -14.349 1.00 0.00 O ATOM 1134 CG2 THR A 70 7.341 3.985 -13.716 1.00 0.00 C ATOM 0 H THR A 70 4.814 2.685 -12.358 1.00 0.00 H new ATOM 0 HA THR A 70 6.233 5.111 -11.618 1.00 0.00 H new ATOM 0 HB THR A 70 5.883 5.479 -14.164 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.338 3.475 -15.280 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.660 3.884 -14.753 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.000 4.684 -13.200 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.388 3.013 -13.225 1.00 0.00 H new ATOM 1142 N ASP A 71 3.152 5.109 -11.554 1.00 0.00 N ATOM 1143 CA ASP A 71 1.932 5.900 -11.493 1.00 0.00 C ATOM 1144 C ASP A 71 1.900 6.729 -10.212 1.00 0.00 C ATOM 1145 O ASP A 71 2.509 6.361 -9.199 1.00 0.00 O ATOM 1146 CB ASP A 71 0.699 4.996 -11.557 1.00 0.00 C ATOM 1147 CG ASP A 71 -0.487 5.676 -12.221 1.00 0.00 C ATOM 1148 OD1 ASP A 71 -1.017 6.650 -11.658 1.00 0.00 O ATOM 1149 OD2 ASP A 71 -0.882 5.237 -13.326 1.00 0.00 O ATOM 0 H ASP A 71 3.099 4.204 -11.087 1.00 0.00 H new ATOM 0 HA ASP A 71 1.919 6.572 -12.351 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.947 4.087 -12.106 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.422 4.693 -10.547 1.00 0.00 H new ATOM 1154 N THR A 72 1.229 7.860 -10.263 1.00 0.00 N ATOM 1155 CA THR A 72 1.092 8.730 -9.108 1.00 0.00 C ATOM 1156 C THR A 72 -0.396 8.867 -8.740 1.00 0.00 C ATOM 1157 O THR A 72 -1.240 8.991 -9.622 1.00 0.00 O ATOM 1158 CB THR A 72 1.690 10.117 -9.419 1.00 0.00 C ATOM 1159 OG1 THR A 72 2.850 9.955 -10.247 1.00 0.00 O ATOM 1160 CG2 THR A 72 2.101 10.845 -8.154 1.00 0.00 C ATOM 0 H THR A 72 0.763 8.204 -11.103 1.00 0.00 H new ATOM 0 HA THR A 72 1.631 8.297 -8.265 1.00 0.00 H new ATOM 0 HB THR A 72 0.925 10.705 -9.926 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.233 10.834 -10.449 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.518 11.818 -8.413 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.230 10.982 -7.514 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.852 10.258 -7.624 1.00 0.00 H new ATOM 1168 N PRO A 73 -0.725 8.871 -7.426 1.00 0.00 N ATOM 1169 CA PRO A 73 -2.117 8.916 -6.930 1.00 0.00 C ATOM 1170 C PRO A 73 -2.929 10.061 -7.526 1.00 0.00 C ATOM 1171 O PRO A 73 -4.144 9.950 -7.738 1.00 0.00 O ATOM 1172 CB PRO A 73 -1.941 9.141 -5.416 1.00 0.00 C ATOM 1173 CG PRO A 73 -0.528 9.579 -5.262 1.00 0.00 C ATOM 1174 CD PRO A 73 0.222 8.861 -6.319 1.00 0.00 C ATOM 0 HA PRO A 73 -2.663 8.012 -7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.633 9.897 -5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.136 8.227 -4.854 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.436 10.659 -5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.145 9.332 -4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.153 9.368 -6.574 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.484 7.847 -6.016 1.00 0.00 H new ATOM 1182 N ALA A 74 -2.257 11.156 -7.808 1.00 0.00 N ATOM 1183 CA ALA A 74 -2.901 12.339 -8.331 1.00 0.00 C ATOM 1184 C ALA A 74 -3.420 12.130 -9.749 1.00 0.00 C ATOM 1185 O ALA A 74 -4.312 12.845 -10.209 1.00 0.00 O ATOM 1186 CB ALA A 74 -1.942 13.506 -8.278 1.00 0.00 C ATOM 0 H ALA A 74 -1.249 11.250 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.768 12.554 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.431 14.397 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.643 13.684 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.060 13.280 -8.877 1.00 0.00 H new ATOM 1192 N GLN A 75 -2.877 11.144 -10.442 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.289 10.852 -11.804 1.00 0.00 C ATOM 1194 C GLN A 75 -4.656 10.196 -11.832 1.00 0.00 C ATOM 1195 O GLN A 75 -5.476 10.478 -12.708 1.00 0.00 O ATOM 1196 CB GLN A 75 -2.263 9.956 -12.499 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.180 10.707 -13.258 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.521 11.800 -12.440 1.00 0.00 C ATOM 1199 OE1 GLN A 75 0.451 11.563 -11.739 1.00 0.00 O ATOM 1200 NE2 GLN A 75 -1.039 13.006 -12.540 1.00 0.00 N ATOM 0 H GLN A 75 -2.147 10.530 -10.082 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.351 11.798 -12.342 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.790 9.320 -11.751 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.785 9.298 -13.193 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.419 9.999 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.614 11.147 -14.156 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.851 13.164 -13.136 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.628 13.782 -12.021 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.925 9.339 -10.861 1.00 0.00 N ATOM 1210 CA LEU A 76 -6.187 8.626 -10.815 1.00 0.00 C ATOM 1211 C LEU A 76 -7.230 9.435 -10.058 1.00 0.00 C ATOM 1212 O LEU A 76 -8.389 9.030 -9.949 1.00 0.00 O ATOM 1213 CB LEU A 76 -6.005 7.254 -10.151 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.718 6.507 -10.518 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.652 6.730 -9.458 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -4.986 5.025 -10.697 1.00 0.00 C ATOM 0 H LEU A 76 -4.286 9.122 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.532 8.478 -11.838 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.031 7.387 -9.069 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.856 6.626 -10.415 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.354 6.904 -11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.745 6.192 -9.735 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.433 7.795 -9.381 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.012 6.363 -8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.058 4.516 -10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.379 4.611 -9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.715 4.881 -11.495 1.00 0.00 H new ATOM 1228 N GLU A 77 -6.806 10.594 -9.529 1.00 0.00 N ATOM 1229 CA GLU A 77 -7.682 11.486 -8.763 1.00 0.00 C ATOM 1230 C GLU A 77 -8.266 10.768 -7.558 1.00 0.00 C ATOM 1231 O GLU A 77 -9.397 11.031 -7.140 1.00 0.00 O ATOM 1232 CB GLU A 77 -8.802 12.038 -9.646 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.314 12.918 -10.779 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.448 13.478 -11.593 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -10.064 14.469 -11.156 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.733 12.935 -12.677 1.00 0.00 O ATOM 0 H GLU A 77 -5.849 10.935 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.079 12.322 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.366 11.204 -10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.492 12.610 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.723 13.738 -10.371 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.654 12.341 -11.427 1.00 0.00 H new ATOM 1243 N MET A 78 -7.486 9.874 -6.984 1.00 0.00 N ATOM 1244 CA MET A 78 -7.925 9.094 -5.846 1.00 0.00 C ATOM 1245 C MET A 78 -7.923 9.942 -4.576 1.00 0.00 C ATOM 1246 O MET A 78 -7.252 10.974 -4.502 1.00 0.00 O ATOM 1247 CB MET A 78 -7.047 7.849 -5.693 1.00 0.00 C ATOM 1248 CG MET A 78 -5.604 8.139 -5.335 1.00 0.00 C ATOM 1249 SD MET A 78 -4.463 6.891 -5.977 1.00 0.00 S ATOM 1250 CE MET A 78 -5.233 5.380 -5.422 1.00 0.00 C ATOM 0 H MET A 78 -6.535 9.669 -7.292 1.00 0.00 H new ATOM 0 HA MET A 78 -8.950 8.766 -6.016 1.00 0.00 H new ATOM 0 HB2 MET A 78 -7.478 7.208 -4.923 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.071 7.286 -6.626 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.326 9.117 -5.728 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.506 8.192 -4.251 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.463 4.658 -5.150 1.00 0.00 H new ATOM 0 HE2 MET A 78 -5.858 5.588 -4.554 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.849 4.970 -6.223 1.00 0.00 H new ATOM 1260 N GLU A 79 -8.662 9.505 -3.578 1.00 0.00 N ATOM 1261 CA GLU A 79 -8.816 10.262 -2.346 1.00 0.00 C ATOM 1262 C GLU A 79 -8.236 9.496 -1.174 1.00 0.00 C ATOM 1263 O GLU A 79 -7.898 8.314 -1.299 1.00 0.00 O ATOM 1264 CB GLU A 79 -10.297 10.528 -2.103 1.00 0.00 C ATOM 1265 CG GLU A 79 -11.099 9.261 -1.853 1.00 0.00 C ATOM 1266 CD GLU A 79 -12.576 9.457 -2.060 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -13.032 9.385 -3.223 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -13.296 9.674 -1.072 1.00 0.00 O ATOM 0 H GLU A 79 -9.171 8.621 -3.594 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.280 11.206 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.404 11.193 -1.246 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.712 11.049 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.744 8.474 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.922 8.919 -0.833 1.00 0.00 H new ATOM 1275 N ASP A 80 -8.090 10.163 -0.033 1.00 0.00 N ATOM 1276 CA ASP A 80 -7.596 9.510 1.165 1.00 0.00 C ATOM 1277 C ASP A 80 -8.509 8.375 1.602 1.00 0.00 C ATOM 1278 O ASP A 80 -9.739 8.456 1.508 1.00 0.00 O ATOM 1279 CB ASP A 80 -7.404 10.511 2.317 1.00 0.00 C ATOM 1280 CG ASP A 80 -8.708 11.078 2.846 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -9.248 12.018 2.224 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -9.197 10.592 3.888 1.00 0.00 O ATOM 0 H ASP A 80 -8.307 11.153 0.083 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.623 9.087 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.873 10.018 3.132 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.772 11.331 1.975 1.00 0.00 H new ATOM 1287 N GLU A 81 -7.875 7.309 2.059 1.00 0.00 N ATOM 1288 CA GLU A 81 -8.523 6.106 2.543 1.00 0.00 C ATOM 1289 C GLU A 81 -9.181 5.311 1.432 1.00 0.00 C ATOM 1290 O GLU A 81 -10.035 4.458 1.687 1.00 0.00 O ATOM 1291 CB GLU A 81 -9.503 6.399 3.669 1.00 0.00 C ATOM 1292 CG GLU A 81 -8.825 6.827 4.950 1.00 0.00 C ATOM 1293 CD GLU A 81 -9.623 6.442 6.162 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -9.653 5.236 6.494 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -10.223 7.333 6.792 1.00 0.00 O ATOM 0 H GLU A 81 -6.857 7.257 2.104 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.730 5.480 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.190 7.182 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.102 5.509 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.836 6.372 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.679 7.907 4.940 1.00 0.00 H new ATOM 1302 N ASP A 82 -8.794 5.572 0.197 1.00 0.00 N ATOM 1303 CA ASP A 82 -9.320 4.797 -0.913 1.00 0.00 C ATOM 1304 C ASP A 82 -8.756 3.381 -0.854 1.00 0.00 C ATOM 1305 O ASP A 82 -7.701 3.148 -0.254 1.00 0.00 O ATOM 1306 CB ASP A 82 -9.013 5.449 -2.257 1.00 0.00 C ATOM 1307 CG ASP A 82 -10.166 5.287 -3.229 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -10.714 4.165 -3.331 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -10.543 6.284 -3.885 1.00 0.00 O ATOM 0 H ASP A 82 -8.129 6.301 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.406 4.759 -0.822 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.806 6.509 -2.110 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.113 5.004 -2.681 1.00 0.00 H new ATOM 1314 N THR A 83 -9.442 2.434 -1.456 1.00 0.00 N ATOM 1315 CA THR A 83 -9.047 1.044 -1.341 1.00 0.00 C ATOM 1316 C THR A 83 -8.441 0.483 -2.630 1.00 0.00 C ATOM 1317 O THR A 83 -8.974 0.659 -3.724 1.00 0.00 O ATOM 1318 CB THR A 83 -10.241 0.184 -0.904 1.00 0.00 C ATOM 1319 OG1 THR A 83 -10.895 0.830 0.198 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.782 -1.203 -0.473 1.00 0.00 C ATOM 0 H THR A 83 -10.271 2.598 -2.027 1.00 0.00 H new ATOM 0 HA THR A 83 -8.266 1.006 -0.581 1.00 0.00 H new ATOM 0 HB THR A 83 -10.925 0.074 -1.745 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.661 0.291 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.646 -1.794 -0.168 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.282 -1.696 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.090 -1.113 0.364 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.309 -0.188 -2.477 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.603 -0.820 -3.572 1.00 0.00 C ATOM 1330 C ILE A 84 -6.970 -2.299 -3.630 1.00 0.00 C ATOM 1331 O ILE A 84 -7.149 -2.949 -2.592 1.00 0.00 O ATOM 1332 CB ILE A 84 -5.068 -0.706 -3.371 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.658 0.756 -3.130 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -4.319 -1.289 -4.568 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -4.787 1.641 -4.334 1.00 0.00 C ATOM 0 H ILE A 84 -6.852 -0.308 -1.573 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.887 -0.318 -4.497 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.797 -1.285 -2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.270 1.165 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.624 0.779 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.245 -1.198 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.581 -2.341 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.596 -0.745 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.478 2.654 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.153 1.261 -5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.825 1.653 -4.668 1.00 0.00 H new ATOM 1347 N ASP A 85 -7.091 -2.832 -4.826 1.00 0.00 N ATOM 1348 CA ASP A 85 -7.416 -4.237 -5.005 1.00 0.00 C ATOM 1349 C ASP A 85 -6.163 -5.034 -5.323 1.00 0.00 C ATOM 1350 O ASP A 85 -5.505 -4.788 -6.325 1.00 0.00 O ATOM 1351 CB ASP A 85 -8.408 -4.423 -6.152 1.00 0.00 C ATOM 1352 CG ASP A 85 -9.724 -3.717 -5.944 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -10.541 -4.191 -5.127 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -9.958 -2.691 -6.617 1.00 0.00 O ATOM 0 H ASP A 85 -6.969 -2.313 -5.696 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.860 -4.593 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.954 -4.060 -7.074 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.596 -5.488 -6.287 1.00 0.00 H new ATOM 1359 N VAL A 86 -5.817 -5.970 -4.469 1.00 0.00 N ATOM 1360 CA VAL A 86 -4.683 -6.843 -4.726 1.00 0.00 C ATOM 1361 C VAL A 86 -5.150 -8.256 -4.946 1.00 0.00 C ATOM 1362 O VAL A 86 -5.940 -8.791 -4.173 1.00 0.00 O ATOM 1363 CB VAL A 86 -3.648 -6.816 -3.579 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -2.627 -7.937 -3.730 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -2.946 -5.493 -3.564 1.00 0.00 C ATOM 0 H VAL A 86 -6.301 -6.150 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.194 -6.469 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.179 -6.963 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.912 -7.891 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.138 -8.899 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.099 -7.823 -4.677 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.217 -5.477 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.435 -5.341 -4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.674 -4.696 -3.412 1.00 0.00 H new ATOM 1375 N PHE A 87 -4.642 -8.872 -5.980 1.00 0.00 N ATOM 1376 CA PHE A 87 -5.017 -10.225 -6.324 1.00 0.00 C ATOM 1377 C PHE A 87 -3.779 -11.054 -6.579 1.00 0.00 C ATOM 1378 O PHE A 87 -2.738 -10.525 -7.002 1.00 0.00 O ATOM 1379 CB PHE A 87 -5.963 -10.249 -7.535 1.00 0.00 C ATOM 1380 CG PHE A 87 -5.511 -9.406 -8.693 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -5.802 -8.054 -8.730 1.00 0.00 C ATOM 1382 CD2 PHE A 87 -4.806 -9.963 -9.746 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -5.398 -7.274 -9.788 1.00 0.00 C ATOM 1384 CE2 PHE A 87 -4.401 -9.186 -10.811 1.00 0.00 C ATOM 1385 CZ PHE A 87 -4.698 -7.838 -10.831 1.00 0.00 C ATOM 0 H PHE A 87 -3.957 -8.454 -6.609 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.558 -10.660 -5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.074 -11.279 -7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.949 -9.909 -7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.354 -7.605 -7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.571 -11.017 -9.733 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.630 -6.219 -9.801 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.852 -9.631 -11.628 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.382 -7.227 -11.663 1.00 0.00 H new ATOM 1395 N GLN A 88 -3.858 -12.342 -6.285 1.00 0.00 N ATOM 1396 CA GLN A 88 -2.729 -13.234 -6.456 1.00 0.00 C ATOM 1397 C GLN A 88 -2.482 -13.543 -7.935 1.00 0.00 C ATOM 1398 O GLN A 88 -3.277 -14.217 -8.587 1.00 0.00 O ATOM 1399 CB GLN A 88 -2.971 -14.537 -5.689 1.00 0.00 C ATOM 1400 CG GLN A 88 -1.720 -15.378 -5.477 1.00 0.00 C ATOM 1401 CD GLN A 88 -1.023 -15.099 -4.151 1.00 0.00 C ATOM 1402 OE1 GLN A 88 -0.375 -15.974 -3.587 1.00 0.00 O ATOM 1403 NE2 GLN A 88 -1.158 -13.887 -3.640 1.00 0.00 N ATOM 0 H GLN A 88 -4.699 -12.793 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.844 -12.735 -6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.404 -14.299 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.708 -15.132 -6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.988 -16.433 -5.523 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.022 -15.190 -6.293 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.704 -13.182 -4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.716 -13.657 -2.750 1.00 0.00 H new ATOM 1412 N GLN A 89 -1.382 -13.042 -8.450 1.00 0.00 N ATOM 1413 CA GLN A 89 -0.965 -13.299 -9.824 1.00 0.00 C ATOM 1414 C GLN A 89 -0.014 -14.479 -9.877 1.00 0.00 C ATOM 1415 O GLN A 89 0.774 -14.626 -10.813 1.00 0.00 O ATOM 1416 CB GLN A 89 -0.287 -12.067 -10.424 1.00 0.00 C ATOM 1417 CG GLN A 89 -1.248 -11.025 -10.969 1.00 0.00 C ATOM 1418 CD GLN A 89 -2.007 -11.502 -12.197 1.00 0.00 C ATOM 1419 OE1 GLN A 89 -2.309 -12.682 -12.343 1.00 0.00 O ATOM 1420 NE2 GLN A 89 -2.302 -10.586 -13.096 1.00 0.00 N ATOM 0 H GLN A 89 -0.743 -12.440 -7.930 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.856 -13.530 -10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.338 -11.603 -9.661 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.376 -12.387 -11.227 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.961 -10.754 -10.190 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -0.692 -10.122 -11.220 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.035 -9.614 -12.940 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.798 -10.849 -13.948 1.00 0.00 H new