USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 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 72 THR OG1 : rot 180:sc= -1.09 USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= -0.0577 F(o=-2.5!,f=-1.1) USER MOD Set 2.1: A 68 ASN : amide:sc= 0.0955 X(o=0.062,f=0.2) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= -0.0335 USER MOD Set 3.1: A 35 LYS NZ :NH3+ -172:sc= 0.0302 (180deg=-0.0804) USER MOD Set 3.2: A 38 THR OG1 : rot -100:sc= -2.03! USER MOD Set 4.1: A 25 GLN :FLIP amide:sc= -1.38 F(o=-1.5,f=-0.89) USER MOD Set 4.2: A 88 GLN :FLIP amide:sc= 0.493 F(o=-1.5!,f=-0.89) USER MOD Single : A 17 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 19 ASN : amide:sc= -0.686 K(o=-0.69,f=-3.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc=-0.00699 (180deg=-0.00699) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 48 CYS SG : rot 72:sc= 1.06 USER MOD Single : A 51 GLN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -120:sc= -0.237 (180deg=-2.09) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0936 F(o=-1.8!,f=-0.094) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 138:sc= -1.46 (180deg=-2.46!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.240 11.241 9.601 1.00 0.00 N ATOM 243 CA HIS A 17 -5.850 10.256 8.641 1.00 0.00 C ATOM 244 C HIS A 17 -7.025 9.358 8.300 1.00 0.00 C ATOM 245 O HIS A 17 -8.039 9.362 8.991 1.00 0.00 O ATOM 246 CB HIS A 17 -4.685 9.441 9.195 1.00 0.00 C ATOM 247 CG HIS A 17 -4.983 8.692 10.465 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.498 9.284 11.603 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.813 7.398 10.769 1.00 0.00 C ATOM 250 CE1 HIS A 17 -5.621 8.378 12.546 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.211 7.220 12.068 1.00 0.00 N ATOM 0 HA HIS A 17 -5.529 10.751 7.724 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.367 8.727 8.436 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.845 10.111 9.375 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.744 10.270 11.696 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.431 6.633 10.109 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.995 8.552 13.544 1.00 0.00 H new ATOM 260 N ILE A 18 -6.890 8.577 7.251 1.00 0.00 N ATOM 261 CA ILE A 18 -7.967 7.711 6.816 1.00 0.00 C ATOM 262 C ILE A 18 -7.562 6.254 6.869 1.00 0.00 C ATOM 263 O ILE A 18 -6.389 5.918 7.055 1.00 0.00 O ATOM 264 CB ILE A 18 -8.465 8.048 5.394 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.310 8.002 4.381 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.150 9.408 5.378 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.748 8.175 2.940 1.00 0.00 C ATOM 0 H ILE A 18 -6.045 8.523 6.682 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.786 7.886 7.513 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.195 7.294 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.592 8.784 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.791 7.049 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.495 9.630 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.002 9.394 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.444 10.175 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.876 8.131 2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.442 7.379 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.241 9.140 2.823 1.00 0.00 H new ATOM 279 N ASN A 19 -8.536 5.386 6.713 1.00 0.00 N ATOM 280 CA ASN A 19 -8.306 3.958 6.750 1.00 0.00 C ATOM 281 C ASN A 19 -8.204 3.423 5.343 1.00 0.00 C ATOM 282 O ASN A 19 -8.907 3.875 4.454 1.00 0.00 O ATOM 283 CB ASN A 19 -9.461 3.255 7.473 1.00 0.00 C ATOM 284 CG ASN A 19 -9.765 3.868 8.822 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.170 3.503 9.824 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.714 4.791 8.855 1.00 0.00 N ATOM 0 H ASN A 19 -9.509 5.649 6.557 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.376 3.767 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.354 3.298 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.214 2.201 7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.972 5.225 9.741 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.187 5.067 7.994 1.00 0.00 H new ATOM 293 N LEU A 20 -7.315 2.493 5.129 1.00 0.00 N ATOM 294 CA LEU A 20 -7.164 1.861 3.834 1.00 0.00 C ATOM 295 C LEU A 20 -7.076 0.363 3.988 1.00 0.00 C ATOM 296 O LEU A 20 -6.806 -0.152 5.076 1.00 0.00 O ATOM 297 CB LEU A 20 -5.928 2.385 3.085 1.00 0.00 C ATOM 298 CG LEU A 20 -6.169 3.523 2.082 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.293 3.167 1.120 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.460 4.830 2.790 1.00 0.00 C ATOM 0 H LEU A 20 -6.672 2.147 5.842 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.045 2.112 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.202 2.727 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.472 1.551 2.552 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.254 3.655 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.446 3.988 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.028 2.264 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.211 2.994 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.626 5.615 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.351 4.719 3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.613 5.099 3.421 1.00 0.00 H new ATOM 312 N LYS A 21 -7.324 -0.345 2.914 1.00 0.00 N ATOM 313 CA LYS A 21 -7.259 -1.784 2.907 1.00 0.00 C ATOM 314 C LYS A 21 -6.552 -2.260 1.661 1.00 0.00 C ATOM 315 O LYS A 21 -6.641 -1.636 0.611 1.00 0.00 O ATOM 316 CB LYS A 21 -8.660 -2.374 2.964 1.00 0.00 C ATOM 317 CG LYS A 21 -9.384 -2.097 4.261 1.00 0.00 C ATOM 318 CD LYS A 21 -10.867 -2.424 4.164 1.00 0.00 C ATOM 319 CE LYS A 21 -11.104 -3.892 3.857 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.551 -4.209 3.784 1.00 0.00 N ATOM 0 H LYS A 21 -7.578 0.064 2.015 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.702 -2.115 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.247 -1.973 2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.597 -3.452 2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.934 -2.685 5.061 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.260 -1.048 4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.358 -2.165 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.324 -1.812 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.627 -4.148 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.635 -4.505 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.675 -5.220 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.001 -3.988 4.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.993 -3.642 3.033 1.00 0.00 H new ATOM 334 N VAL A 22 -5.852 -3.357 1.765 1.00 0.00 N ATOM 335 CA VAL A 22 -5.140 -3.907 0.625 1.00 0.00 C ATOM 336 C VAL A 22 -5.493 -5.363 0.423 1.00 0.00 C ATOM 337 O VAL A 22 -5.251 -6.203 1.294 1.00 0.00 O ATOM 338 CB VAL A 22 -3.606 -3.768 0.763 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.914 -4.484 -0.369 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.192 -2.311 0.775 1.00 0.00 C ATOM 0 H VAL A 22 -5.754 -3.895 2.626 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.454 -3.327 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.311 -4.220 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.835 -4.379 -0.260 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.179 -5.541 -0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.227 -4.051 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.109 -2.241 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.503 -1.837 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.666 -1.805 1.616 1.00 0.00 H new ATOM 350 N ALA A 23 -6.077 -5.656 -0.718 1.00 0.00 N ATOM 351 CA ALA A 23 -6.448 -7.002 -1.061 1.00 0.00 C ATOM 352 C ALA A 23 -5.304 -7.692 -1.768 1.00 0.00 C ATOM 353 O ALA A 23 -4.832 -7.241 -2.813 1.00 0.00 O ATOM 354 CB ALA A 23 -7.696 -7.015 -1.927 1.00 0.00 C ATOM 0 H ALA A 23 -6.306 -4.964 -1.431 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.670 -7.544 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.957 -8.044 -2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.520 -6.552 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.508 -6.459 -2.845 1.00 0.00 H new ATOM 360 N GLY A 24 -4.857 -8.778 -1.203 1.00 0.00 N ATOM 361 CA GLY A 24 -3.779 -9.509 -1.782 1.00 0.00 C ATOM 362 C GLY A 24 -4.290 -10.545 -2.745 1.00 0.00 C ATOM 363 O GLY A 24 -5.452 -10.950 -2.671 1.00 0.00 O ATOM 0 H GLY A 24 -5.228 -9.173 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.107 -8.825 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.198 -9.992 -0.996 1.00 0.00 H new ATOM 367 N GLN A 25 -3.432 -11.001 -3.638 1.00 0.00 N ATOM 368 CA GLN A 25 -3.818 -12.003 -4.631 1.00 0.00 C ATOM 369 C GLN A 25 -4.212 -13.332 -3.970 1.00 0.00 C ATOM 370 O GLN A 25 -4.804 -14.207 -4.599 1.00 0.00 O ATOM 371 CB GLN A 25 -2.698 -12.194 -5.674 1.00 0.00 C ATOM 372 CG GLN A 25 -1.314 -12.453 -5.085 1.00 0.00 C ATOM 373 CD GLN A 25 -1.187 -13.812 -4.415 1.00 0.00 C ATOM 374 OE1 GLN A 25 -0.448 -13.861 -3.335 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 -1.780 -14.791 -4.852 1.00 0.00 N flip ATOM 0 H GLN A 25 -2.460 -10.697 -3.701 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.702 -11.637 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.963 -13.028 -6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.650 -11.304 -6.302 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.570 -12.376 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.086 -11.675 -4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.346 -14.710 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.708 -15.688 -4.371 1.00 0.00 H new ATOM 384 N ASP A 26 -3.882 -13.472 -2.689 1.00 0.00 N ATOM 385 CA ASP A 26 -4.225 -14.668 -1.926 1.00 0.00 C ATOM 386 C ASP A 26 -5.676 -14.631 -1.476 1.00 0.00 C ATOM 387 O ASP A 26 -6.210 -15.618 -0.975 1.00 0.00 O ATOM 388 CB ASP A 26 -3.314 -14.820 -0.710 1.00 0.00 C ATOM 389 CG ASP A 26 -2.155 -15.759 -0.958 1.00 0.00 C ATOM 390 OD1 ASP A 26 -2.393 -16.974 -1.110 1.00 0.00 O ATOM 391 OD2 ASP A 26 -0.998 -15.293 -0.987 1.00 0.00 O ATOM 0 H ASP A 26 -3.374 -12.767 -2.155 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.083 -15.526 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.928 -13.841 -0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.899 -15.188 0.133 1.00 0.00 H new ATOM 396 N GLY A 27 -6.313 -13.482 -1.642 1.00 0.00 N ATOM 397 CA GLY A 27 -7.709 -13.347 -1.268 1.00 0.00 C ATOM 398 C GLY A 27 -7.886 -12.790 0.127 1.00 0.00 C ATOM 399 O GLY A 27 -8.982 -12.789 0.674 1.00 0.00 O ATOM 0 H GLY A 27 -5.890 -12.639 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.211 -12.694 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.194 -14.321 -1.331 1.00 0.00 H new ATOM 403 N SER A 28 -6.811 -12.318 0.707 1.00 0.00 N ATOM 404 CA SER A 28 -6.843 -11.763 2.034 1.00 0.00 C ATOM 405 C SER A 28 -6.706 -10.270 1.943 1.00 0.00 C ATOM 406 O SER A 28 -6.181 -9.749 0.965 1.00 0.00 O ATOM 407 CB SER A 28 -5.720 -12.355 2.888 1.00 0.00 C ATOM 408 OG SER A 28 -5.818 -11.955 4.249 1.00 0.00 O ATOM 0 H SER A 28 -5.889 -12.308 0.271 1.00 0.00 H new ATOM 0 HA SER A 28 -7.792 -12.011 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.753 -13.443 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.756 -12.042 2.487 1.00 0.00 H new ATOM 0 HG SER A 28 -5.084 -12.355 4.761 1.00 0.00 H new ATOM 414 N VAL A 29 -7.166 -9.578 2.940 1.00 0.00 N ATOM 415 CA VAL A 29 -7.111 -8.141 2.921 1.00 0.00 C ATOM 416 C VAL A 29 -6.640 -7.598 4.259 1.00 0.00 C ATOM 417 O VAL A 29 -7.056 -8.064 5.322 1.00 0.00 O ATOM 418 CB VAL A 29 -8.486 -7.520 2.550 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.503 -7.749 3.656 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.352 -6.036 2.242 1.00 0.00 C ATOM 0 H VAL A 29 -7.584 -9.981 3.779 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.392 -7.857 2.152 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.844 -8.020 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.457 -7.305 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.634 -8.820 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.148 -7.287 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.330 -5.628 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.960 -5.517 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.670 -5.899 1.403 1.00 0.00 H new ATOM 430 N VAL A 30 -5.750 -6.646 4.216 1.00 0.00 N ATOM 431 CA VAL A 30 -5.262 -6.021 5.420 1.00 0.00 C ATOM 432 C VAL A 30 -5.960 -4.684 5.641 1.00 0.00 C ATOM 433 O VAL A 30 -6.196 -3.932 4.696 1.00 0.00 O ATOM 434 CB VAL A 30 -3.725 -5.810 5.365 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.331 -4.940 4.184 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.207 -5.216 6.668 1.00 0.00 C ATOM 0 H VAL A 30 -5.343 -6.282 3.354 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.485 -6.687 6.254 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.263 -6.788 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.249 -4.810 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.649 -5.418 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.812 -3.966 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.128 -5.079 6.602 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.685 -4.252 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.437 -5.891 7.492 1.00 0.00 H new ATOM 446 N GLN A 31 -6.326 -4.405 6.879 1.00 0.00 N ATOM 447 CA GLN A 31 -6.955 -3.151 7.225 1.00 0.00 C ATOM 448 C GLN A 31 -5.985 -2.317 8.040 1.00 0.00 C ATOM 449 O GLN A 31 -5.422 -2.786 9.033 1.00 0.00 O ATOM 450 CB GLN A 31 -8.225 -3.412 8.005 1.00 0.00 C ATOM 451 CG GLN A 31 -9.061 -4.527 7.402 1.00 0.00 C ATOM 452 CD GLN A 31 -10.400 -4.679 8.057 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.559 -5.434 9.014 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.370 -3.967 7.547 1.00 0.00 N ATOM 0 H GLN A 31 -6.195 -5.040 7.666 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.217 -2.605 6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.969 -3.670 9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.818 -2.498 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.203 -4.332 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.515 -5.467 7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.189 -3.354 6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.308 -4.024 7.944 1.00 0.00 H new ATOM 463 N PHE A 32 -5.775 -1.095 7.623 1.00 0.00 N ATOM 464 CA PHE A 32 -4.786 -0.229 8.249 1.00 0.00 C ATOM 465 C PHE A 32 -5.156 1.236 8.114 1.00 0.00 C ATOM 466 O PHE A 32 -6.060 1.600 7.371 1.00 0.00 O ATOM 467 CB PHE A 32 -3.399 -0.476 7.645 1.00 0.00 C ATOM 468 CG PHE A 32 -3.359 -0.331 6.146 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.897 -1.313 5.329 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.800 0.789 5.558 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.881 -1.181 3.964 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.780 0.926 4.192 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.323 -0.060 3.392 1.00 0.00 C ATOM 0 H PHE A 32 -6.277 -0.666 6.845 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.765 -0.473 9.311 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.689 0.223 8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.069 -1.479 7.913 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.335 -2.194 5.774 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.375 1.563 6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.305 -1.954 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.340 1.804 3.743 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.310 0.048 2.318 1.00 0.00 H new ATOM 483 N LYS A 33 -4.454 2.074 8.844 1.00 0.00 N ATOM 484 CA LYS A 33 -4.712 3.501 8.827 1.00 0.00 C ATOM 485 C LYS A 33 -3.479 4.264 8.340 1.00 0.00 C ATOM 486 O LYS A 33 -2.354 3.982 8.757 1.00 0.00 O ATOM 487 CB LYS A 33 -5.143 3.967 10.218 1.00 0.00 C ATOM 488 CG LYS A 33 -6.219 3.081 10.831 1.00 0.00 C ATOM 489 CD LYS A 33 -6.875 3.718 12.051 1.00 0.00 C ATOM 490 CE LYS A 33 -5.888 3.917 13.182 1.00 0.00 C ATOM 491 NZ LYS A 33 -6.545 4.432 14.413 1.00 0.00 N ATOM 0 H LYS A 33 -3.694 1.791 9.462 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.524 3.709 8.130 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.274 3.983 10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.514 4.990 10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.982 2.870 10.081 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.779 2.125 11.116 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.306 4.679 11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.696 3.088 12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.395 2.970 13.403 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.112 4.614 12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.833 4.554 15.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.994 5.348 14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.268 3.755 14.730 1.00 0.00 H new ATOM 505 N ILE A 34 -3.686 5.225 7.444 1.00 0.00 N ATOM 506 CA ILE A 34 -2.589 6.002 6.868 1.00 0.00 C ATOM 507 C ILE A 34 -2.967 7.490 6.779 1.00 0.00 C ATOM 508 O ILE A 34 -4.136 7.837 6.567 1.00 0.00 O ATOM 509 CB ILE A 34 -2.201 5.458 5.457 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.058 6.277 4.844 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.410 5.443 4.535 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.544 5.725 3.530 1.00 0.00 C ATOM 0 H ILE A 34 -4.609 5.487 7.098 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.725 5.900 7.525 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.850 4.433 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.400 7.300 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.234 6.321 5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.117 5.060 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.183 4.802 4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.798 6.456 4.427 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.262 6.358 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.170 4.713 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.354 5.707 2.801 1.00 0.00 H new ATOM 524 N LYS A 35 -1.990 8.376 6.963 1.00 0.00 N ATOM 525 CA LYS A 35 -2.248 9.812 6.934 1.00 0.00 C ATOM 526 C LYS A 35 -2.355 10.320 5.520 1.00 0.00 C ATOM 527 O LYS A 35 -1.774 9.760 4.599 1.00 0.00 O ATOM 528 CB LYS A 35 -1.166 10.591 7.674 1.00 0.00 C ATOM 529 CG LYS A 35 -0.846 10.028 9.039 1.00 0.00 C ATOM 530 CD LYS A 35 -0.253 11.085 9.971 1.00 0.00 C ATOM 531 CE LYS A 35 1.142 11.524 9.537 1.00 0.00 C ATOM 532 NZ LYS A 35 2.150 10.440 9.695 1.00 0.00 N ATOM 0 H LYS A 35 -1.016 8.125 7.133 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.200 9.971 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.258 10.599 7.071 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.485 11.627 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.753 9.620 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.143 9.202 8.934 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.912 11.953 9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.207 10.687 10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.113 11.841 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.447 12.390 10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.101 10.822 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.103 10.061 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.951 9.679 9.015 1.00 0.00 H new ATOM 546 N ARG A 36 -3.093 11.401 5.351 1.00 0.00 N ATOM 547 CA ARG A 36 -3.305 12.010 4.044 1.00 0.00 C ATOM 548 C ARG A 36 -1.976 12.436 3.413 1.00 0.00 C ATOM 549 O ARG A 36 -1.759 12.271 2.215 1.00 0.00 O ATOM 550 CB ARG A 36 -4.236 13.226 4.173 1.00 0.00 C ATOM 551 CG ARG A 36 -5.499 12.974 5.002 1.00 0.00 C ATOM 552 CD ARG A 36 -6.218 11.694 4.585 1.00 0.00 C ATOM 553 NE ARG A 36 -6.522 11.660 3.147 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.636 12.162 2.585 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.571 12.744 3.339 1.00 0.00 N ATOM 556 NH2 ARG A 36 -7.812 12.074 1.270 1.00 0.00 N ATOM 0 H ARG A 36 -3.565 11.885 6.115 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.770 11.267 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.679 14.048 4.623 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.531 13.550 3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.232 12.911 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.177 13.821 4.894 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.600 10.834 4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.145 11.601 5.151 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.837 11.223 2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.443 12.810 4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.413 13.122 2.905 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.103 11.626 0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.656 12.454 0.842 1.00 0.00 H new ATOM 570 N HIS A 37 -1.085 12.976 4.236 1.00 0.00 N ATOM 571 CA HIS A 37 0.225 13.434 3.766 1.00 0.00 C ATOM 572 C HIS A 37 1.279 12.352 3.916 1.00 0.00 C ATOM 573 O HIS A 37 2.472 12.597 3.745 1.00 0.00 O ATOM 574 CB HIS A 37 0.659 14.686 4.523 1.00 0.00 C ATOM 575 CG HIS A 37 -0.028 15.941 4.074 1.00 0.00 C ATOM 576 ND1 HIS A 37 0.418 16.707 3.021 1.00 0.00 N ATOM 577 CD2 HIS A 37 -1.136 16.564 4.542 1.00 0.00 C ATOM 578 CE1 HIS A 37 -0.378 17.742 2.861 1.00 0.00 C ATOM 579 NE2 HIS A 37 -1.329 17.680 3.771 1.00 0.00 N ATOM 0 H HIS A 37 -1.243 13.109 5.235 1.00 0.00 H new ATOM 0 HA HIS A 37 0.127 13.671 2.707 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.467 14.540 5.586 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.735 14.813 4.408 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.752 16.241 5.368 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.270 18.512 2.111 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.086 18.354 3.883 1.00 0.00 H new ATOM 588 N THR A 38 0.850 11.157 4.243 1.00 0.00 N ATOM 589 CA THR A 38 1.752 10.053 4.402 1.00 0.00 C ATOM 590 C THR A 38 1.853 9.245 3.105 1.00 0.00 C ATOM 591 O THR A 38 0.841 8.869 2.523 1.00 0.00 O ATOM 592 CB THR A 38 1.333 9.153 5.582 1.00 0.00 C ATOM 593 OG1 THR A 38 1.625 9.823 6.816 1.00 0.00 O ATOM 594 CG2 THR A 38 2.063 7.827 5.539 1.00 0.00 C ATOM 0 H THR A 38 -0.131 10.928 4.405 1.00 0.00 H new ATOM 0 HA THR A 38 2.739 10.457 4.630 1.00 0.00 H new ATOM 0 HB THR A 38 0.263 8.957 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.462 9.474 7.188 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.749 7.211 6.382 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.829 7.313 4.607 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.137 8.001 5.597 1.00 0.00 H new ATOM 602 N PRO A 39 3.081 8.994 2.639 1.00 0.00 N ATOM 603 CA PRO A 39 3.326 8.268 1.392 1.00 0.00 C ATOM 604 C PRO A 39 2.924 6.794 1.452 1.00 0.00 C ATOM 605 O PRO A 39 2.960 6.152 2.513 1.00 0.00 O ATOM 606 CB PRO A 39 4.837 8.385 1.201 1.00 0.00 C ATOM 607 CG PRO A 39 5.379 8.617 2.564 1.00 0.00 C ATOM 608 CD PRO A 39 4.336 9.406 3.293 1.00 0.00 C ATOM 0 HA PRO A 39 2.732 8.684 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.251 7.478 0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.088 9.207 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.579 7.673 3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.322 9.162 2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.329 9.176 4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.505 10.479 3.200 1.00 0.00 H new ATOM 616 N LEU A 40 2.539 6.263 0.300 1.00 0.00 N ATOM 617 CA LEU A 40 2.168 4.871 0.128 1.00 0.00 C ATOM 618 C LEU A 40 3.308 3.910 0.459 1.00 0.00 C ATOM 619 O LEU A 40 3.096 2.705 0.560 1.00 0.00 O ATOM 620 CB LEU A 40 1.702 4.649 -1.306 1.00 0.00 C ATOM 621 CG LEU A 40 0.215 4.875 -1.572 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.301 6.130 -0.895 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.057 4.924 -3.058 1.00 0.00 C ATOM 0 H LEU A 40 2.475 6.805 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 40 1.362 4.657 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.272 5.311 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.951 3.627 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.323 4.030 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.362 6.250 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.158 6.047 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.246 6.996 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.121 5.086 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.510 5.741 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.244 3.981 -3.514 1.00 0.00 H new ATOM 635 N SER A 41 4.520 4.430 0.598 1.00 0.00 N ATOM 636 CA SER A 41 5.672 3.608 0.940 1.00 0.00 C ATOM 637 C SER A 41 5.406 2.803 2.217 1.00 0.00 C ATOM 638 O SER A 41 5.738 1.615 2.303 1.00 0.00 O ATOM 639 CB SER A 41 6.916 4.487 1.103 1.00 0.00 C ATOM 640 OG SER A 41 6.657 5.591 1.960 1.00 0.00 O ATOM 0 H SER A 41 4.731 5.421 0.479 1.00 0.00 H new ATOM 0 HA SER A 41 5.848 2.902 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.734 3.892 1.509 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.239 4.849 0.127 1.00 0.00 H new ATOM 0 HG SER A 41 7.468 6.134 2.048 1.00 0.00 H new ATOM 672 N LEU A 43 2.374 2.183 3.309 1.00 0.00 N ATOM 673 CA LEU A 43 1.226 1.350 2.964 1.00 0.00 C ATOM 674 C LEU A 43 1.704 0.030 2.382 1.00 0.00 C ATOM 675 O LEU A 43 1.287 -1.051 2.814 1.00 0.00 O ATOM 676 CB LEU A 43 0.299 2.097 1.971 1.00 0.00 C ATOM 677 CG LEU A 43 -0.900 1.305 1.410 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.994 2.252 0.968 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.483 0.439 0.231 1.00 0.00 C ATOM 0 HA LEU A 43 0.650 1.139 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.085 2.988 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.905 2.437 1.131 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.272 0.660 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.834 1.679 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.327 2.846 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.610 2.914 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.349 -0.107 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.083 1.071 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.282 -0.269 0.552 1.00 0.00 H new ATOM 691 N MET A 44 2.591 0.121 1.400 1.00 0.00 N ATOM 692 CA MET A 44 3.170 -1.053 0.770 1.00 0.00 C ATOM 693 C MET A 44 3.915 -1.882 1.795 1.00 0.00 C ATOM 694 O MET A 44 3.889 -3.111 1.767 1.00 0.00 O ATOM 695 CB MET A 44 4.116 -0.639 -0.359 1.00 0.00 C ATOM 696 CG MET A 44 3.419 -0.322 -1.668 1.00 0.00 C ATOM 697 SD MET A 44 4.444 0.622 -2.798 1.00 0.00 S ATOM 698 CE MET A 44 3.318 0.821 -4.171 1.00 0.00 C ATOM 0 H MET A 44 2.926 1.007 1.021 1.00 0.00 H new ATOM 0 HA MET A 44 2.365 -1.654 0.348 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.683 0.236 -0.041 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.835 -1.441 -0.528 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.120 -1.253 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.506 0.237 -1.461 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.806 1.390 -4.962 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.032 -0.159 -4.552 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.428 1.354 -3.837 1.00 0.00 H new ATOM 708 N LYS A 45 4.571 -1.200 2.716 1.00 0.00 N ATOM 709 CA LYS A 45 5.313 -1.853 3.768 1.00 0.00 C ATOM 710 C LYS A 45 4.376 -2.571 4.735 1.00 0.00 C ATOM 711 O LYS A 45 4.595 -3.720 5.072 1.00 0.00 O ATOM 712 CB LYS A 45 6.168 -0.835 4.525 1.00 0.00 C ATOM 713 CG LYS A 45 6.867 -1.392 5.756 1.00 0.00 C ATOM 714 CD LYS A 45 7.916 -2.434 5.399 1.00 0.00 C ATOM 715 CE LYS A 45 9.049 -1.822 4.594 1.00 0.00 C ATOM 716 NZ LYS A 45 10.291 -2.619 4.683 1.00 0.00 N ATOM 0 H LYS A 45 4.602 -0.181 2.752 1.00 0.00 H new ATOM 0 HA LYS A 45 5.966 -2.596 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.920 -0.434 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.535 -0.001 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.339 -0.576 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.127 -1.837 6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.314 -2.880 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.453 -3.238 4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.747 -1.738 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.242 -0.811 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.037 -2.164 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.595 -2.678 5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.116 -3.577 4.317 1.00 0.00 H new ATOM 730 N ALA A 46 3.313 -1.891 5.147 1.00 0.00 N ATOM 731 CA ALA A 46 2.359 -2.445 6.106 1.00 0.00 C ATOM 732 C ALA A 46 1.802 -3.764 5.609 1.00 0.00 C ATOM 733 O ALA A 46 1.790 -4.766 6.330 1.00 0.00 O ATOM 734 CB ALA A 46 1.231 -1.457 6.369 1.00 0.00 C ATOM 0 H ALA A 46 3.087 -0.948 4.830 1.00 0.00 H new ATOM 0 HA ALA A 46 2.885 -2.627 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.531 -1.887 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.644 -0.533 6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.710 -1.243 5.436 1.00 0.00 H new ATOM 740 N TYR A 47 1.353 -3.777 4.365 1.00 0.00 N ATOM 741 CA TYR A 47 0.833 -4.988 3.767 1.00 0.00 C ATOM 742 C TYR A 47 1.935 -6.051 3.633 1.00 0.00 C ATOM 743 O TYR A 47 1.696 -7.253 3.839 1.00 0.00 O ATOM 744 CB TYR A 47 0.206 -4.687 2.401 1.00 0.00 C ATOM 745 CG TYR A 47 -0.093 -5.927 1.597 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.273 -6.626 1.778 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.818 -6.404 0.668 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.543 -7.769 1.058 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.558 -7.544 -0.060 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.624 -8.225 0.136 1.00 0.00 C ATOM 751 OH TYR A 47 -0.881 -9.371 -0.586 1.00 0.00 O ATOM 0 H TYR A 47 1.339 -2.961 3.753 1.00 0.00 H new ATOM 0 HA TYR A 47 0.058 -5.385 4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.717 -4.126 2.548 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.881 -4.047 1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.996 -6.269 2.497 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.746 -5.874 0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.468 -8.304 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.277 -7.903 -0.781 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.132 -9.551 -1.192 1.00 0.00 H new ATOM 761 N CYS A 48 3.140 -5.609 3.305 1.00 0.00 N ATOM 762 CA CYS A 48 4.281 -6.502 3.139 1.00 0.00 C ATOM 763 C CYS A 48 4.643 -7.163 4.459 1.00 0.00 C ATOM 764 O CYS A 48 4.949 -8.351 4.513 1.00 0.00 O ATOM 765 CB CYS A 48 5.475 -5.714 2.558 1.00 0.00 C ATOM 766 SG CYS A 48 7.113 -6.326 3.003 1.00 0.00 S ATOM 0 H CYS A 48 3.356 -4.625 3.146 1.00 0.00 H new ATOM 0 HA CYS A 48 4.017 -7.295 2.440 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.391 -5.714 1.471 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.395 -4.677 2.884 1.00 0.00 H new ATOM 0 HG CYS A 48 7.348 -7.437 2.370 1.00 0.00 H new ATOM 772 N GLU A 49 4.562 -6.399 5.526 1.00 0.00 N ATOM 773 CA GLU A 49 4.880 -6.882 6.861 1.00 0.00 C ATOM 774 C GLU A 49 3.853 -7.902 7.334 1.00 0.00 C ATOM 775 O GLU A 49 4.193 -8.907 7.957 1.00 0.00 O ATOM 776 CB GLU A 49 4.929 -5.710 7.832 1.00 0.00 C ATOM 777 CG GLU A 49 6.011 -4.701 7.506 1.00 0.00 C ATOM 778 CD GLU A 49 7.395 -5.194 7.855 1.00 0.00 C ATOM 779 OE1 GLU A 49 8.037 -5.835 7.006 1.00 0.00 O ATOM 780 OE2 GLU A 49 7.852 -4.933 8.988 1.00 0.00 O ATOM 0 H GLU A 49 4.273 -5.421 5.497 1.00 0.00 H new ATOM 0 HA GLU A 49 5.854 -7.370 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.962 -5.207 7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.090 -6.090 8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.972 -4.464 6.443 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.813 -3.775 8.046 1.00 0.00 H new ATOM 787 N ARG A 50 2.587 -7.642 7.032 1.00 0.00 N ATOM 788 CA ARG A 50 1.497 -8.527 7.433 1.00 0.00 C ATOM 789 C ARG A 50 1.598 -9.875 6.743 1.00 0.00 C ATOM 790 O ARG A 50 1.557 -10.923 7.385 1.00 0.00 O ATOM 791 CB ARG A 50 0.150 -7.897 7.110 1.00 0.00 C ATOM 792 CG ARG A 50 -0.151 -6.647 7.899 1.00 0.00 C ATOM 793 CD ARG A 50 -0.318 -6.946 9.376 1.00 0.00 C ATOM 794 NE ARG A 50 -0.686 -5.754 10.130 1.00 0.00 N ATOM 795 CZ ARG A 50 -1.602 -5.729 11.096 1.00 0.00 C ATOM 796 NH1 ARG A 50 -2.219 -6.846 11.465 1.00 0.00 N ATOM 797 NH2 ARG A 50 -1.889 -4.584 11.705 1.00 0.00 N ATOM 0 H ARG A 50 2.287 -6.820 6.507 1.00 0.00 H new ATOM 0 HA ARG A 50 1.579 -8.678 8.509 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.118 -7.659 6.047 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.636 -8.629 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.655 -5.927 7.762 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.060 -6.184 7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.083 -7.711 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.612 -7.354 9.772 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.210 -4.881 9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.992 -7.729 11.008 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.920 -6.821 12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.408 -3.727 11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.590 -4.562 12.445 1.00 0.00 H new ATOM 811 N GLN A 51 1.731 -9.854 5.431 1.00 0.00 N ATOM 812 CA GLN A 51 1.800 -11.084 4.657 1.00 0.00 C ATOM 813 C GLN A 51 3.187 -11.719 4.732 1.00 0.00 C ATOM 814 O GLN A 51 3.356 -12.899 4.446 1.00 0.00 O ATOM 815 CB GLN A 51 1.391 -10.833 3.200 1.00 0.00 C ATOM 816 CG GLN A 51 -0.094 -11.087 2.913 1.00 0.00 C ATOM 817 CD GLN A 51 -1.046 -10.200 3.712 1.00 0.00 C ATOM 818 OE1 GLN A 51 -2.144 -10.623 4.069 1.00 0.00 O ATOM 819 NE2 GLN A 51 -0.658 -8.961 3.964 1.00 0.00 N ATOM 0 H GLN A 51 1.794 -9.000 4.876 1.00 0.00 H new ATOM 0 HA GLN A 51 1.094 -11.789 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.629 -9.802 2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.990 -11.472 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.279 -10.934 1.850 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.321 -12.131 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.260 -8.641 3.654 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.276 -8.326 4.468 1.00 0.00 H new ATOM 828 N GLY A 52 4.181 -10.932 5.114 1.00 0.00 N ATOM 829 CA GLY A 52 5.534 -11.447 5.244 1.00 0.00 C ATOM 830 C GLY A 52 6.252 -11.549 3.913 1.00 0.00 C ATOM 831 O GLY A 52 7.367 -12.073 3.831 1.00 0.00 O ATOM 0 H GLY A 52 4.077 -9.942 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.103 -10.798 5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.500 -12.432 5.710 1.00 0.00 H new ATOM 835 N LEU A 53 5.615 -11.059 2.866 1.00 0.00 N ATOM 836 CA LEU A 53 6.182 -11.087 1.528 1.00 0.00 C ATOM 837 C LEU A 53 7.065 -9.870 1.282 1.00 0.00 C ATOM 838 O LEU A 53 7.196 -9.011 2.140 1.00 0.00 O ATOM 839 CB LEU A 53 5.065 -11.193 0.466 1.00 0.00 C ATOM 840 CG LEU A 53 3.871 -10.229 0.618 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.262 -8.806 0.278 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.709 -10.685 -0.247 1.00 0.00 C ATOM 0 H LEU A 53 4.691 -10.630 2.917 1.00 0.00 H new ATOM 0 HA LEU A 53 6.812 -11.972 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.511 -11.030 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.682 -12.213 0.476 1.00 0.00 H new ATOM 0 HG LEU A 53 3.558 -10.246 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.397 -8.153 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.058 -8.478 0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.613 -8.761 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.874 -9.994 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.019 -10.704 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.399 -11.685 0.058 1.00 0.00 H new ATOM 854 N SER A 54 7.677 -9.805 0.119 1.00 0.00 N ATOM 855 CA SER A 54 8.534 -8.695 -0.231 1.00 0.00 C ATOM 856 C SER A 54 7.755 -7.655 -1.047 1.00 0.00 C ATOM 857 O SER A 54 7.182 -7.973 -2.090 1.00 0.00 O ATOM 858 CB SER A 54 9.741 -9.206 -1.019 1.00 0.00 C ATOM 859 OG SER A 54 10.552 -10.050 -0.216 1.00 0.00 O ATOM 0 H SER A 54 7.595 -10.517 -0.607 1.00 0.00 H new ATOM 0 HA SER A 54 8.887 -8.214 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.401 -9.752 -1.899 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.331 -8.362 -1.376 1.00 0.00 H new ATOM 0 HG SER A 54 11.316 -10.366 -0.742 1.00 0.00 H new ATOM 865 N MET A 55 7.738 -6.407 -0.569 1.00 0.00 N ATOM 866 CA MET A 55 7.014 -5.314 -1.245 1.00 0.00 C ATOM 867 C MET A 55 7.562 -5.055 -2.652 1.00 0.00 C ATOM 868 O MET A 55 6.867 -4.535 -3.517 1.00 0.00 O ATOM 869 CB MET A 55 7.057 -4.014 -0.415 1.00 0.00 C ATOM 870 CG MET A 55 8.458 -3.579 0.004 1.00 0.00 C ATOM 871 SD MET A 55 8.752 -1.812 -0.219 1.00 0.00 S ATOM 872 CE MET A 55 7.492 -1.106 0.833 1.00 0.00 C ATOM 0 H MET A 55 8.217 -6.123 0.285 1.00 0.00 H new ATOM 0 HA MET A 55 5.976 -5.634 -1.337 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.599 -3.212 -0.994 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.449 -4.148 0.480 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.613 -3.837 1.052 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.193 -4.139 -0.574 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.827 -0.482 0.236 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.917 -1.906 1.300 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.962 -0.498 1.606 1.00 0.00 H new ATOM 882 N ARG A 56 8.808 -5.427 -2.879 1.00 0.00 N ATOM 883 CA ARG A 56 9.446 -5.230 -4.178 1.00 0.00 C ATOM 884 C ARG A 56 8.964 -6.283 -5.184 1.00 0.00 C ATOM 885 O ARG A 56 9.143 -6.143 -6.390 1.00 0.00 O ATOM 886 CB ARG A 56 10.965 -5.331 -4.026 1.00 0.00 C ATOM 887 CG ARG A 56 11.445 -6.731 -3.773 1.00 0.00 C ATOM 888 CD ARG A 56 12.820 -6.745 -3.174 1.00 0.00 C ATOM 889 NE ARG A 56 13.387 -8.065 -3.240 1.00 0.00 N ATOM 890 CZ ARG A 56 13.934 -8.721 -2.215 1.00 0.00 C ATOM 891 NH1 ARG A 56 14.000 -8.159 -1.013 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.412 -9.942 -2.395 1.00 0.00 N ATOM 0 H ARG A 56 9.405 -5.870 -2.180 1.00 0.00 H new ATOM 0 HA ARG A 56 9.177 -4.241 -4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.440 -4.949 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.284 -4.691 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.751 -7.238 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.450 -7.289 -4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.461 -6.041 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.774 -6.414 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 56 13.370 -8.538 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.631 -7.219 -0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.420 -8.667 -0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.362 -10.379 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.831 -10.446 -1.613 1.00 0.00 H new ATOM 906 N GLN A 57 8.357 -7.344 -4.676 1.00 0.00 N ATOM 907 CA GLN A 57 7.914 -8.460 -5.510 1.00 0.00 C ATOM 908 C GLN A 57 6.430 -8.368 -5.805 1.00 0.00 C ATOM 909 O GLN A 57 5.839 -9.274 -6.395 1.00 0.00 O ATOM 910 CB GLN A 57 8.221 -9.773 -4.800 1.00 0.00 C ATOM 911 CG GLN A 57 9.681 -9.919 -4.425 1.00 0.00 C ATOM 912 CD GLN A 57 10.569 -10.198 -5.617 1.00 0.00 C ATOM 913 OE1 GLN A 57 11.010 -9.151 -6.272 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.832 -11.350 -5.960 1.00 0.00 N flip ATOM 0 H GLN A 57 8.157 -7.460 -3.683 1.00 0.00 H new ATOM 0 HA GLN A 57 8.449 -8.418 -6.459 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.612 -9.843 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.933 -10.604 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.018 -9.006 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.786 -10.728 -3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 57 10.469 -12.137 -5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.413 -11.517 -6.781 1.00 0.00 H new ATOM 923 N ILE A 58 5.822 -7.280 -5.402 1.00 0.00 N ATOM 924 CA ILE A 58 4.406 -7.102 -5.591 1.00 0.00 C ATOM 925 C ILE A 58 4.101 -5.738 -6.158 1.00 0.00 C ATOM 926 O ILE A 58 4.960 -4.854 -6.196 1.00 0.00 O ATOM 927 CB ILE A 58 3.630 -7.276 -4.276 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.221 -6.388 -3.197 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.650 -8.720 -3.839 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.380 -6.308 -1.949 1.00 0.00 C ATOM 0 H ILE A 58 6.290 -6.501 -4.939 1.00 0.00 H new ATOM 0 HA ILE A 58 4.088 -7.871 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 58 2.594 -6.981 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.211 -6.761 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.355 -5.384 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.096 -8.826 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.188 -9.339 -4.608 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.681 -9.040 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.866 -5.656 -1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.398 -5.906 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.267 -7.305 -1.522 1.00 0.00 H new ATOM 942 N ARG A 59 2.873 -5.565 -6.589 1.00 0.00 N ATOM 943 CA ARG A 59 2.427 -4.312 -7.149 1.00 0.00 C ATOM 944 C ARG A 59 1.054 -3.952 -6.641 1.00 0.00 C ATOM 945 O ARG A 59 0.224 -4.829 -6.370 1.00 0.00 O ATOM 946 CB ARG A 59 2.442 -4.349 -8.670 1.00 0.00 C ATOM 947 CG ARG A 59 3.837 -4.351 -9.272 1.00 0.00 C ATOM 948 CD ARG A 59 4.682 -3.208 -8.724 1.00 0.00 C ATOM 949 NE ARG A 59 5.934 -3.046 -9.462 1.00 0.00 N ATOM 950 CZ ARG A 59 7.136 -2.894 -8.892 1.00 0.00 C ATOM 951 NH1 ARG A 59 7.265 -2.954 -7.568 1.00 0.00 N ATOM 952 NH2 ARG A 59 8.210 -2.700 -9.651 1.00 0.00 N ATOM 0 H ARG A 59 2.156 -6.290 -6.561 1.00 0.00 H new ATOM 0 HA ARG A 59 3.125 -3.540 -6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.910 -5.239 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.894 -3.487 -9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.326 -5.302 -9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.767 -4.266 -10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.111 -2.281 -8.772 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.903 -3.393 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 59 5.889 -3.049 -10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.446 -3.116 -6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.183 -2.838 -7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.118 -2.667 -10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.126 -2.584 -9.218 1.00 0.00 H new ATOM 966 N PHE A 60 0.817 -2.660 -6.512 1.00 0.00 N ATOM 967 CA PHE A 60 -0.432 -2.136 -5.986 1.00 0.00 C ATOM 968 C PHE A 60 -1.170 -1.338 -7.051 1.00 0.00 C ATOM 969 O PHE A 60 -0.579 -0.492 -7.732 1.00 0.00 O ATOM 970 CB PHE A 60 -0.156 -1.230 -4.768 1.00 0.00 C ATOM 971 CG PHE A 60 0.383 -1.945 -3.562 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.628 -2.557 -3.590 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.351 -1.990 -2.392 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.121 -3.199 -2.473 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.141 -2.634 -1.274 1.00 0.00 C ATOM 976 CZ PHE A 60 1.375 -3.237 -1.316 1.00 0.00 C ATOM 0 H PHE A 60 1.490 -1.938 -6.771 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.053 -2.978 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.553 -0.456 -5.062 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.082 -0.726 -4.491 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.217 -2.530 -4.495 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.321 -1.516 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.092 -3.672 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.444 -2.664 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.760 -3.741 -0.442 1.00 0.00 H new ATOM 986 N ARG A 61 -2.456 -1.606 -7.212 1.00 0.00 N ATOM 987 CA ARG A 61 -3.267 -0.866 -8.170 1.00 0.00 C ATOM 988 C ARG A 61 -4.582 -0.409 -7.546 1.00 0.00 C ATOM 989 O ARG A 61 -5.254 -1.162 -6.832 1.00 0.00 O ATOM 990 CB ARG A 61 -3.488 -1.678 -9.465 1.00 0.00 C ATOM 991 CG ARG A 61 -4.325 -2.933 -9.317 1.00 0.00 C ATOM 992 CD ARG A 61 -5.798 -2.691 -9.610 1.00 0.00 C ATOM 993 NE ARG A 61 -6.533 -3.953 -9.761 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.777 -4.057 -10.240 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.459 -2.971 -10.577 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.343 -5.250 -10.366 1.00 0.00 N ATOM 0 H ARG A 61 -2.960 -2.327 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.718 0.033 -8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.964 -1.031 -10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.514 -1.958 -9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.945 -3.700 -9.992 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.219 -3.319 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.239 -2.107 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.896 -2.101 -10.521 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.061 -4.812 -9.480 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.035 -2.049 -10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.408 -3.057 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.829 -6.089 -10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.292 -5.328 -10.731 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.941 0.829 -7.809 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.134 1.433 -7.257 1.00 0.00 C ATOM 1012 C PHE A 62 -6.823 2.278 -8.314 1.00 0.00 C ATOM 1013 O PHE A 62 -6.164 2.950 -9.096 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.759 2.307 -6.051 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.907 3.069 -5.457 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.758 2.469 -4.554 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.128 4.393 -5.804 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.811 3.167 -4.004 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.179 5.099 -5.260 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.024 4.484 -4.358 1.00 0.00 C ATOM 0 H PHE A 62 -4.408 1.450 -8.418 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.816 0.647 -6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.322 1.673 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.988 3.015 -6.356 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.597 1.438 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.468 4.877 -6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.469 2.684 -3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.341 6.130 -5.538 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.850 5.032 -3.930 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.151 2.221 -8.353 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.945 3.010 -9.307 1.00 0.00 C ATOM 1032 C ASP A 63 -8.562 2.690 -10.747 1.00 0.00 C ATOM 1033 O ASP A 63 -8.707 3.525 -11.646 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.775 4.513 -9.038 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.068 5.185 -8.622 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.517 4.969 -7.480 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -10.640 5.941 -9.431 1.00 0.00 O ATOM 0 H ASP A 63 -8.709 1.634 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.992 2.741 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.029 4.655 -8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.392 4.997 -9.936 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.088 1.468 -10.981 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.699 1.072 -12.313 1.00 0.00 C ATOM 1044 C GLY A 64 -6.280 1.467 -12.672 1.00 0.00 C ATOM 1045 O GLY A 64 -5.769 1.078 -13.726 1.00 0.00 O ATOM 0 H GLY A 64 -7.969 0.749 -10.267 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.801 -0.009 -12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.385 1.520 -13.032 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.625 2.223 -11.812 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.271 2.682 -12.095 1.00 0.00 C ATOM 1051 C GLN A 65 -3.294 2.220 -11.021 1.00 0.00 C ATOM 1052 O GLN A 65 -3.653 2.097 -9.853 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.235 4.211 -12.228 1.00 0.00 C ATOM 1054 CG GLN A 65 -4.690 4.956 -10.986 1.00 0.00 C ATOM 1055 CD GLN A 65 -4.715 6.452 -11.189 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -3.731 7.147 -10.933 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -5.831 6.959 -11.663 1.00 0.00 N ATOM 0 H GLN A 65 -6.002 2.533 -10.916 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.963 2.241 -13.043 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.218 4.519 -12.470 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.866 4.506 -13.066 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.686 4.614 -10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.024 4.716 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.624 6.349 -11.862 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.904 7.962 -11.832 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.056 1.921 -11.410 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.015 1.528 -10.467 1.00 0.00 C ATOM 1068 C PRO A 66 -0.546 2.724 -9.642 1.00 0.00 C ATOM 1069 O PRO A 66 -0.523 3.858 -10.127 1.00 0.00 O ATOM 1070 CB PRO A 66 0.111 1.024 -11.374 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.088 1.759 -12.656 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.572 1.935 -12.802 1.00 0.00 C ATOM 0 HA PRO A 66 -1.354 0.783 -9.747 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.091 1.233 -10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 66 0.050 -0.054 -11.521 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.420 2.723 -12.637 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.324 1.199 -13.496 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.818 2.871 -13.304 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.016 1.132 -13.390 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.169 2.485 -8.404 1.00 0.00 N ATOM 1081 CA ILE A 67 0.289 3.558 -7.541 1.00 0.00 C ATOM 1082 C ILE A 67 1.650 3.254 -6.991 1.00 0.00 C ATOM 1083 O ILE A 67 1.944 2.131 -6.589 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.682 3.899 -6.366 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.059 2.651 -5.537 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.922 4.625 -6.873 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.166 1.813 -6.128 1.00 0.00 C ATOM 0 H ILE A 67 -0.170 1.561 -7.972 1.00 0.00 H new ATOM 0 HA ILE A 67 0.325 4.440 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.148 4.572 -5.695 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.173 2.028 -5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.357 2.971 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.580 4.850 -6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.626 5.554 -7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.448 3.991 -7.587 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.363 0.960 -5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.070 2.416 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.866 1.457 -7.114 1.00 0.00 H new ATOM 1099 N ASN A 68 2.487 4.246 -7.007 1.00 0.00 N ATOM 1100 CA ASN A 68 3.829 4.136 -6.514 1.00 0.00 C ATOM 1101 C ASN A 68 3.889 4.508 -5.051 1.00 0.00 C ATOM 1102 O ASN A 68 3.070 5.284 -4.560 1.00 0.00 O ATOM 1103 CB ASN A 68 4.762 5.037 -7.333 1.00 0.00 C ATOM 1104 CG ASN A 68 4.043 6.260 -7.888 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.556 6.248 -9.014 1.00 0.00 O ATOM 1106 ND2 ASN A 68 3.958 7.305 -7.102 1.00 0.00 N ATOM 0 H ASN A 68 2.254 5.171 -7.369 1.00 0.00 H new ATOM 0 HA ASN A 68 4.156 3.101 -6.617 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.594 5.360 -6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.187 4.463 -8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.475 8.145 -7.421 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.375 7.279 -6.172 1.00 0.00 H new ATOM 1113 N GLU A 69 4.865 3.958 -4.351 1.00 0.00 N ATOM 1114 CA GLU A 69 5.069 4.226 -2.925 1.00 0.00 C ATOM 1115 C GLU A 69 5.293 5.715 -2.661 1.00 0.00 C ATOM 1116 O GLU A 69 5.107 6.201 -1.547 1.00 0.00 O ATOM 1117 CB GLU A 69 6.268 3.428 -2.417 1.00 0.00 C ATOM 1118 CG GLU A 69 7.435 3.418 -3.382 1.00 0.00 C ATOM 1119 CD GLU A 69 8.699 2.849 -2.785 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.395 3.581 -2.055 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.012 1.672 -3.058 1.00 0.00 O ATOM 0 H GLU A 69 5.544 3.310 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 69 4.168 3.921 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.596 3.846 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.957 2.401 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.164 2.836 -4.263 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.627 4.437 -3.719 1.00 0.00 H new ATOM 1128 N THR A 70 5.683 6.433 -3.686 1.00 0.00 N ATOM 1129 CA THR A 70 5.964 7.841 -3.575 1.00 0.00 C ATOM 1130 C THR A 70 4.693 8.689 -3.681 1.00 0.00 C ATOM 1131 O THR A 70 4.748 9.919 -3.602 1.00 0.00 O ATOM 1132 CB THR A 70 6.954 8.264 -4.664 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.399 7.965 -5.947 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.248 7.500 -4.506 1.00 0.00 C ATOM 0 H THR A 70 5.815 6.054 -4.624 1.00 0.00 H new ATOM 0 HA THR A 70 6.399 8.011 -2.590 1.00 0.00 H new ATOM 0 HB THR A 70 7.146 9.333 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.029 8.236 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.948 7.805 -5.284 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.678 7.711 -3.527 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.052 6.431 -4.593 1.00 0.00 H new ATOM 1142 N ASP A 71 3.545 8.049 -3.867 1.00 0.00 N ATOM 1143 CA ASP A 71 2.287 8.778 -3.963 1.00 0.00 C ATOM 1144 C ASP A 71 1.597 8.818 -2.615 1.00 0.00 C ATOM 1145 O ASP A 71 1.911 8.028 -1.729 1.00 0.00 O ATOM 1146 CB ASP A 71 1.376 8.157 -5.034 1.00 0.00 C ATOM 1147 CG ASP A 71 1.172 9.081 -6.222 1.00 0.00 C ATOM 1148 OD1 ASP A 71 2.179 9.466 -6.862 1.00 0.00 O ATOM 1149 OD2 ASP A 71 0.011 9.424 -6.523 1.00 0.00 O ATOM 0 H ASP A 71 3.459 7.036 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 71 2.503 9.803 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.810 7.218 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.409 7.918 -4.592 1.00 0.00 H new ATOM 1154 N THR A 72 0.693 9.761 -2.438 1.00 0.00 N ATOM 1155 CA THR A 72 -0.039 9.905 -1.189 1.00 0.00 C ATOM 1156 C THR A 72 -1.538 9.687 -1.406 1.00 0.00 C ATOM 1157 O THR A 72 -2.062 9.988 -2.479 1.00 0.00 O ATOM 1158 CB THR A 72 0.196 11.308 -0.592 1.00 0.00 C ATOM 1159 OG1 THR A 72 0.158 12.294 -1.645 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.534 11.372 0.127 1.00 0.00 C ATOM 0 H THR A 72 0.444 10.447 -3.150 1.00 0.00 H new ATOM 0 HA THR A 72 0.328 9.149 -0.495 1.00 0.00 H new ATOM 0 HB THR A 72 -0.592 11.515 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.306 13.185 -1.264 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.678 12.371 0.540 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.548 10.640 0.935 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.336 11.151 -0.577 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.263 9.179 -0.383 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.708 8.913 -0.492 1.00 0.00 C ATOM 1170 C PRO A 73 -4.527 10.196 -0.698 1.00 0.00 C ATOM 1171 O PRO A 73 -5.712 10.153 -1.045 1.00 0.00 O ATOM 1172 CB PRO A 73 -4.059 8.255 0.851 1.00 0.00 C ATOM 1173 CG PRO A 73 -2.982 8.690 1.785 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.738 8.818 0.954 1.00 0.00 C ATOM 0 HA PRO A 73 -3.940 8.290 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.040 8.575 1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.090 7.169 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.235 9.639 2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.843 7.963 2.585 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.069 9.585 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.173 7.886 0.927 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.894 11.336 -0.485 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.545 12.626 -0.663 1.00 0.00 C ATOM 1184 C ALA A 74 -4.255 13.189 -2.043 1.00 0.00 C ATOM 1185 O ALA A 74 -4.860 14.166 -2.473 1.00 0.00 O ATOM 1186 CB ALA A 74 -4.088 13.598 0.405 1.00 0.00 C ATOM 0 H ALA A 74 -2.921 11.396 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.621 12.481 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.583 14.558 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.343 13.204 1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.008 13.732 0.337 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.323 12.571 -2.746 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.942 13.044 -4.061 1.00 0.00 C ATOM 1194 C GLN A 75 -3.972 12.620 -5.100 1.00 0.00 C ATOM 1195 O GLN A 75 -4.235 13.334 -6.062 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.553 12.529 -4.424 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.929 13.233 -5.613 1.00 0.00 C ATOM 1198 CD GLN A 75 0.530 12.870 -5.813 1.00 0.00 C ATOM 1199 OE1 GLN A 75 1.234 12.602 -4.725 1.00 0.00 O flip ATOM 1200 NE2 GLN A 75 1.027 12.852 -6.938 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.819 11.743 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.909 14.133 -4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.897 12.643 -3.561 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.616 11.462 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.488 12.980 -6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.015 14.311 -5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.452 13.064 -7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.014 12.625 -7.056 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.569 11.459 -4.892 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.595 10.954 -5.794 1.00 0.00 C ATOM 1211 C LEU A 76 -6.972 11.018 -5.142 1.00 0.00 C ATOM 1212 O LEU A 76 -7.972 10.606 -5.726 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.275 9.514 -6.305 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.609 8.512 -5.319 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.131 8.822 -5.129 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.323 8.495 -3.978 1.00 0.00 C ATOM 0 H LEU A 76 -4.361 10.845 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.603 11.603 -6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.208 9.069 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.624 9.607 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.696 7.520 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.695 8.104 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.619 8.755 -6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.019 9.829 -4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.832 7.784 -3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.288 9.490 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.362 8.198 -4.123 1.00 0.00 H new ATOM 1228 N GLU A 77 -7.006 11.549 -3.917 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.238 11.719 -3.140 1.00 0.00 C ATOM 1230 C GLU A 77 -9.090 10.456 -3.082 1.00 0.00 C ATOM 1231 O GLU A 77 -10.230 10.426 -3.553 1.00 0.00 O ATOM 1232 CB GLU A 77 -9.048 12.909 -3.648 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.428 14.249 -3.297 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.348 14.467 -1.799 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -7.488 13.843 -1.144 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.149 15.270 -1.265 1.00 0.00 O ATOM 0 H GLU A 77 -6.171 11.876 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.928 11.924 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.149 12.835 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.053 12.861 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.427 14.308 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.015 15.049 -3.748 1.00 0.00 H new ATOM 1243 N MET A 78 -8.529 9.401 -2.530 1.00 0.00 N ATOM 1244 CA MET A 78 -9.268 8.165 -2.342 1.00 0.00 C ATOM 1245 C MET A 78 -10.258 8.302 -1.190 1.00 0.00 C ATOM 1246 O MET A 78 -10.240 9.289 -0.446 1.00 0.00 O ATOM 1247 CB MET A 78 -8.319 6.988 -2.097 1.00 0.00 C ATOM 1248 CG MET A 78 -7.265 7.254 -1.039 1.00 0.00 C ATOM 1249 SD MET A 78 -6.257 5.804 -0.658 1.00 0.00 S ATOM 1250 CE MET A 78 -5.792 5.235 -2.293 1.00 0.00 C ATOM 0 H MET A 78 -7.563 9.372 -2.203 1.00 0.00 H new ATOM 0 HA MET A 78 -9.826 7.964 -3.257 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.905 6.118 -1.801 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.823 6.734 -3.034 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.615 8.061 -1.377 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.753 7.599 -0.127 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.743 4.940 -2.291 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.408 4.380 -2.570 1.00 0.00 H new ATOM 0 HE3 MET A 78 -5.942 6.038 -3.014 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.121 7.321 -1.043 1.00 0.00 N ATOM 1261 CA GLU A 79 -12.128 7.336 -0.001 1.00 0.00 C ATOM 1262 C GLU A 79 -11.620 6.574 1.219 1.00 0.00 C ATOM 1263 O GLU A 79 -10.726 5.733 1.111 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.426 6.708 -0.532 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.591 6.735 0.443 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.846 6.139 -0.145 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -16.022 4.913 -0.053 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -16.664 6.899 -0.712 1.00 0.00 O ATOM 0 H GLU A 79 -11.146 6.493 -1.639 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.333 8.365 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.720 7.230 -1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.226 5.673 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.319 6.186 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.787 7.765 0.743 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.170 6.871 2.385 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.761 6.183 3.591 1.00 0.00 C ATOM 1277 C ASP A 80 -12.326 4.779 3.619 1.00 0.00 C ATOM 1278 O ASP A 80 -13.476 4.543 3.243 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.146 6.960 4.864 1.00 0.00 C ATOM 1280 CG ASP A 80 -13.636 7.167 5.027 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -14.206 8.028 4.314 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -14.240 6.504 5.896 1.00 0.00 O ATOM 0 H ASP A 80 -12.894 7.577 2.518 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.673 6.120 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.766 6.424 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.653 7.932 4.848 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.483 3.845 4.033 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.798 2.420 4.113 1.00 0.00 C ATOM 1289 C GLU A 81 -11.841 1.789 2.725 1.00 0.00 C ATOM 1290 O GLU A 81 -12.407 0.707 2.531 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.097 2.158 4.885 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.096 2.749 6.283 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.225 2.234 7.138 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -15.350 2.749 7.019 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -13.987 1.312 7.948 1.00 0.00 O ATOM 0 H GLU A 81 -10.532 4.060 4.332 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.994 1.944 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.935 2.572 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.260 1.082 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.147 2.521 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.166 3.835 6.213 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.228 2.464 1.751 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.150 1.952 0.387 1.00 0.00 C ATOM 1304 C ASP A 82 -10.186 0.768 0.322 1.00 0.00 C ATOM 1305 O ASP A 82 -9.539 0.424 1.314 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.694 3.051 -0.577 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.494 3.056 -1.862 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.387 2.087 -2.644 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.243 4.031 -2.097 1.00 0.00 O ATOM 0 H ASP A 82 -10.778 3.369 1.885 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.144 1.618 0.089 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.788 4.021 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.638 2.912 -0.809 1.00 0.00 H new ATOM 1314 N THR A 83 -10.063 0.152 -0.838 1.00 0.00 N ATOM 1315 CA THR A 83 -9.214 -1.017 -0.972 1.00 0.00 C ATOM 1316 C THR A 83 -8.307 -0.917 -2.206 1.00 0.00 C ATOM 1317 O THR A 83 -8.647 -0.272 -3.195 1.00 0.00 O ATOM 1318 CB THR A 83 -10.062 -2.303 -1.064 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.300 -2.113 -0.357 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.315 -3.484 -0.453 1.00 0.00 C ATOM 0 H THR A 83 -10.536 0.438 -1.695 1.00 0.00 H new ATOM 0 HA THR A 83 -8.587 -1.060 -0.082 1.00 0.00 H new ATOM 0 HB THR A 83 -10.259 -2.514 -2.115 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.839 -2.929 -0.417 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.930 -4.381 -0.528 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.379 -3.640 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.102 -3.276 0.596 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.150 -1.558 -2.138 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.188 -1.567 -3.231 1.00 0.00 C ATOM 1330 C ILE A 84 -5.922 -3.012 -3.640 1.00 0.00 C ATOM 1331 O ILE A 84 -5.920 -3.904 -2.796 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.834 -0.878 -2.824 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -5.015 0.631 -2.614 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.748 -1.131 -3.856 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.670 0.998 -1.308 1.00 0.00 C ATOM 0 H ILE A 84 -6.850 -2.089 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.608 -1.002 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.523 -1.325 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.039 1.114 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.613 1.031 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.827 -0.640 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.575 -2.203 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.062 -0.731 -4.820 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.760 2.082 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.661 0.547 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.063 0.631 -0.481 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.715 -3.253 -4.925 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.471 -4.602 -5.419 1.00 0.00 C ATOM 1349 C ASP A 85 -3.994 -4.869 -5.487 1.00 0.00 C ATOM 1350 O ASP A 85 -3.221 -4.029 -5.961 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.060 -4.761 -6.798 1.00 0.00 C ATOM 1352 CG ASP A 85 -6.004 -6.174 -7.324 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.313 -7.109 -6.567 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.675 -6.350 -8.521 1.00 0.00 O ATOM 0 H ASP A 85 -5.711 -2.532 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.939 -5.310 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.099 -4.431 -6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.529 -4.105 -7.488 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.590 -6.016 -5.017 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.207 -6.396 -5.040 1.00 0.00 C ATOM 1361 C VAL A 86 -2.008 -7.673 -5.808 1.00 0.00 C ATOM 1362 O VAL A 86 -2.785 -8.627 -5.693 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.631 -6.537 -3.604 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.425 -7.474 -3.566 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.237 -5.185 -3.086 1.00 0.00 C ATOM 0 H VAL A 86 -4.211 -6.713 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.663 -5.599 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.408 -6.968 -2.972 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.052 -7.546 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.722 -8.463 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.360 -7.083 -4.213 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.833 -5.285 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.480 -4.752 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.112 -4.535 -3.063 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.964 -7.694 -6.585 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.610 -8.848 -7.369 1.00 0.00 C ATOM 1377 C PHE A 87 0.888 -9.063 -7.312 1.00 0.00 C ATOM 1378 O PHE A 87 1.660 -8.108 -7.183 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.105 -8.704 -8.819 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.931 -7.324 -9.404 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.806 -6.304 -9.064 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.097 -7.050 -10.290 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.661 -5.043 -9.588 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.246 -5.785 -10.825 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.634 -4.778 -10.472 1.00 0.00 C ATOM 0 H PHE A 87 -0.327 -6.905 -6.695 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.101 -9.726 -6.950 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.572 -9.420 -9.445 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.161 -8.971 -8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.614 -6.504 -8.376 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.789 -7.832 -10.565 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.350 -4.259 -9.309 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.049 -5.583 -11.518 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.518 -3.787 -10.887 1.00 0.00 H new ATOM 1395 N GLN A 88 1.311 -10.310 -7.386 1.00 0.00 N ATOM 1396 CA GLN A 88 2.723 -10.622 -7.313 1.00 0.00 C ATOM 1397 C GLN A 88 3.207 -11.072 -8.672 1.00 0.00 C ATOM 1398 O GLN A 88 2.819 -12.128 -9.166 1.00 0.00 O ATOM 1399 CB GLN A 88 2.997 -11.710 -6.267 1.00 0.00 C ATOM 1400 CG GLN A 88 2.140 -11.591 -5.010 1.00 0.00 C ATOM 1401 CD GLN A 88 2.826 -12.116 -3.759 1.00 0.00 C ATOM 1402 OE1 GLN A 88 4.122 -11.882 -3.640 1.00 0.00 O flip ATOM 1403 NE2 GLN A 88 2.175 -12.675 -2.878 1.00 0.00 N flip ATOM 0 H GLN A 88 0.700 -11.119 -7.496 1.00 0.00 H new ATOM 0 HA GLN A 88 3.263 -9.725 -7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.826 -12.687 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.049 -11.670 -5.983 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.875 -10.545 -4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.209 -12.137 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.176 -12.838 -3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.634 -12.976 -2.018 1.00 0.00 H new