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 68 ASN : amide:sc= 0.775 K(o=0.77,f=0.012) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc=-0.00734 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.147 K(o=-0.97,f=-1.5) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.821! K(o=-0.97!,f=-1.5) USER MOD Single : A 17 HIS :FLIP no HD1:sc=-0.00794 F(o=-0.71,f=-0.0079) USER MOD Single : A 19 ASN : amide:sc= -0.555 K(o=-0.56,f=-2.8!) 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= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0261 (180deg=-0.212) USER MOD Single : A 35 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 38 THR OG1 : rot -160:sc= -1.69! USER MOD Single : A 41 SER OG : rot 180:sc= -0.313 USER MOD Single : A 44 MET CE :methyl -177:sc= 0 (180deg=-0.00776) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0838 (180deg=-0.412) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 48 CYS SG : rot 47:sc= 1.14 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.016 F(o=-1,f=-0.016) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 134:sc= -0.34 (180deg=-2.02!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0176 F(o=-1.5!,f=-0.018) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.601 K(o=0.6,f=-0.23) USER MOD Single : A 78 MET CE :methyl 137:sc= -2.72! (180deg=-3.71!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.467 11.426 9.162 1.00 0.00 N ATOM 243 CA HIS A 17 -6.006 10.359 8.351 1.00 0.00 C ATOM 244 C HIS A 17 -7.108 9.364 8.136 1.00 0.00 C ATOM 245 O HIS A 17 -7.997 9.202 8.977 1.00 0.00 O ATOM 246 CB HIS A 17 -4.770 9.693 8.971 1.00 0.00 C ATOM 247 CG HIS A 17 -5.000 9.033 10.301 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.193 7.736 10.614 1.00 0.00 N flip ATOM 249 CD2 HIS A 17 -5.042 9.719 11.495 1.00 0.00 C flip ATOM 250 CE1 HIS A 17 -5.347 7.664 11.974 1.00 0.00 C flip ATOM 251 NE2 HIS A 17 -5.250 8.872 12.478 1.00 0.00 N flip ATOM 0 HA HIS A 17 -5.710 10.760 7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.391 8.946 8.273 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.991 10.446 9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.923 10.787 11.606 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.520 6.760 12.539 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.324 9.113 13.466 1.00 0.00 H new ATOM 260 N ILE A 18 -7.055 8.703 7.029 1.00 0.00 N ATOM 261 CA ILE A 18 -8.072 7.762 6.652 1.00 0.00 C ATOM 262 C ILE A 18 -7.593 6.337 6.797 1.00 0.00 C ATOM 263 O ILE A 18 -6.409 6.071 7.034 1.00 0.00 O ATOM 264 CB ILE A 18 -8.558 7.986 5.212 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.434 7.756 4.210 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.128 9.387 5.056 1.00 0.00 C ATOM 267 CD1 ILE A 18 -7.872 7.921 2.775 1.00 0.00 C ATOM 0 H ILE A 18 -6.300 8.797 6.349 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.906 7.930 7.333 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.346 7.262 5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.623 8.454 4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.034 6.752 4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.468 9.529 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.969 9.516 5.738 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.357 10.121 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.024 7.744 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.663 7.205 2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.246 8.934 2.623 1.00 0.00 H new ATOM 279 N ASN A 19 -8.516 5.421 6.677 1.00 0.00 N ATOM 280 CA ASN A 19 -8.223 4.016 6.775 1.00 0.00 C ATOM 281 C ASN A 19 -8.126 3.435 5.386 1.00 0.00 C ATOM 282 O ASN A 19 -8.775 3.912 4.472 1.00 0.00 O ATOM 283 CB ASN A 19 -9.334 3.308 7.549 1.00 0.00 C ATOM 284 CG ASN A 19 -9.601 3.941 8.896 1.00 0.00 C ATOM 285 OD1 ASN A 19 -8.999 3.568 9.894 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.509 4.903 8.931 1.00 0.00 N ATOM 0 H ASN A 19 -9.500 5.630 6.507 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.278 3.876 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.249 3.322 6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.063 2.262 7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.730 5.364 9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.988 5.184 8.075 1.00 0.00 H new ATOM 293 N LEU A 20 -7.307 2.437 5.213 1.00 0.00 N ATOM 294 CA LEU A 20 -7.176 1.779 3.929 1.00 0.00 C ATOM 295 C LEU A 20 -7.123 0.282 4.090 1.00 0.00 C ATOM 296 O LEU A 20 -6.894 -0.240 5.187 1.00 0.00 O ATOM 297 CB LEU A 20 -5.934 2.264 3.165 1.00 0.00 C ATOM 298 CG LEU A 20 -6.158 3.377 2.135 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.353 3.066 1.246 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.323 4.721 2.807 1.00 0.00 C ATOM 0 H LEU A 20 -6.712 2.053 5.947 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.059 2.042 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.201 2.614 3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.492 1.409 2.653 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.271 3.426 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.489 3.872 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.178 2.130 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.249 2.973 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.480 5.489 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.183 4.690 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.425 4.954 3.380 1.00 0.00 H new ATOM 312 N LYS A 21 -7.358 -0.409 3.003 1.00 0.00 N ATOM 313 CA LYS A 21 -7.307 -1.845 2.963 1.00 0.00 C ATOM 314 C LYS A 21 -6.590 -2.279 1.716 1.00 0.00 C ATOM 315 O LYS A 21 -6.660 -1.617 0.686 1.00 0.00 O ATOM 316 CB LYS A 21 -8.713 -2.429 2.967 1.00 0.00 C ATOM 317 CG LYS A 21 -9.476 -2.167 4.240 1.00 0.00 C ATOM 318 CD LYS A 21 -10.952 -2.515 4.103 1.00 0.00 C ATOM 319 CE LYS A 21 -11.169 -4.001 3.872 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.613 -4.339 3.768 1.00 0.00 N ATOM 0 H LYS A 21 -7.594 0.019 2.108 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.776 -2.205 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.271 -2.014 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.650 -3.505 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.040 -2.751 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.375 -1.117 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.482 -2.207 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.381 -1.953 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.658 -4.305 2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.722 -4.565 4.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.720 -5.361 3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.096 -4.072 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.034 -3.820 2.971 1.00 0.00 H new ATOM 334 N VAL A 22 -5.907 -3.380 1.790 1.00 0.00 N ATOM 335 CA VAL A 22 -5.194 -3.894 0.639 1.00 0.00 C ATOM 336 C VAL A 22 -5.537 -5.346 0.412 1.00 0.00 C ATOM 337 O VAL A 22 -5.291 -6.199 1.270 1.00 0.00 O ATOM 338 CB VAL A 22 -3.661 -3.746 0.771 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.969 -4.441 -0.373 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.261 -2.285 0.798 1.00 0.00 C ATOM 0 H VAL A 22 -5.822 -3.948 2.633 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.512 -3.296 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.356 -4.209 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.890 -4.329 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.226 -5.500 -0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.289 -3.997 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.178 -2.206 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.582 -1.803 -0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.735 -1.794 1.648 1.00 0.00 H new ATOM 350 N ALA A 23 -6.120 -5.622 -0.729 1.00 0.00 N ATOM 351 CA ALA A 23 -6.487 -6.964 -1.083 1.00 0.00 C ATOM 352 C ALA A 23 -5.357 -7.618 -1.833 1.00 0.00 C ATOM 353 O ALA A 23 -4.920 -7.138 -2.880 1.00 0.00 O ATOM 354 CB ALA A 23 -7.759 -6.979 -1.912 1.00 0.00 C ATOM 0 H ALA A 23 -6.351 -4.922 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.680 -7.526 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.015 -8.007 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.572 -6.534 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.604 -6.406 -2.826 1.00 0.00 H new ATOM 360 N GLY A 24 -4.889 -8.715 -1.312 1.00 0.00 N ATOM 361 CA GLY A 24 -3.807 -9.403 -1.936 1.00 0.00 C ATOM 362 C GLY A 24 -4.320 -10.408 -2.923 1.00 0.00 C ATOM 363 O GLY A 24 -5.488 -10.791 -2.871 1.00 0.00 O ATOM 0 H GLY A 24 -5.242 -9.148 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.157 -8.688 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.203 -9.904 -1.180 1.00 0.00 H new ATOM 367 N GLN A 25 -3.465 -10.869 -3.815 1.00 0.00 N ATOM 368 CA GLN A 25 -3.876 -11.858 -4.806 1.00 0.00 C ATOM 369 C GLN A 25 -4.148 -13.195 -4.122 1.00 0.00 C ATOM 370 O GLN A 25 -4.720 -14.112 -4.702 1.00 0.00 O ATOM 371 CB GLN A 25 -2.829 -11.989 -5.928 1.00 0.00 C ATOM 372 CG GLN A 25 -1.448 -12.425 -5.468 1.00 0.00 C ATOM 373 CD GLN A 25 -1.343 -13.922 -5.228 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.982 -14.719 -5.909 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.565 -14.304 -4.241 1.00 0.00 N ATOM 0 H GLN A 25 -2.489 -10.581 -3.878 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.800 -11.524 -5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.194 -12.706 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.740 -11.029 -6.436 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.713 -12.131 -6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.195 -11.897 -4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.051 -13.610 -3.699 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.475 -15.295 -4.017 1.00 0.00 H new ATOM 384 N ASP A 26 -3.731 -13.283 -2.859 1.00 0.00 N ATOM 385 CA ASP A 26 -3.940 -14.465 -2.032 1.00 0.00 C ATOM 386 C ASP A 26 -5.407 -14.555 -1.620 1.00 0.00 C ATOM 387 O ASP A 26 -5.915 -15.626 -1.279 1.00 0.00 O ATOM 388 CB ASP A 26 -3.049 -14.370 -0.783 1.00 0.00 C ATOM 389 CG ASP A 26 -3.162 -15.571 0.133 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.049 -15.579 1.010 1.00 0.00 O ATOM 391 OD2 ASP A 26 -2.346 -16.505 -0.007 1.00 0.00 O ATOM 0 H ASP A 26 -3.236 -12.530 -2.381 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.678 -15.359 -2.598 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.011 -14.257 -1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.313 -13.472 -0.225 1.00 0.00 H new ATOM 396 N GLY A 27 -6.090 -13.421 -1.669 1.00 0.00 N ATOM 397 CA GLY A 27 -7.493 -13.378 -1.301 1.00 0.00 C ATOM 398 C GLY A 27 -7.714 -12.830 0.094 1.00 0.00 C ATOM 399 O GLY A 27 -8.815 -12.901 0.637 1.00 0.00 O ATOM 0 H GLY A 27 -5.697 -12.525 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.034 -12.762 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.912 -14.382 -1.363 1.00 0.00 H new ATOM 403 N SER A 28 -6.674 -12.276 0.678 1.00 0.00 N ATOM 404 CA SER A 28 -6.755 -11.725 2.007 1.00 0.00 C ATOM 405 C SER A 28 -6.663 -10.228 1.925 1.00 0.00 C ATOM 406 O SER A 28 -6.160 -9.678 0.942 1.00 0.00 O ATOM 407 CB SER A 28 -5.633 -12.279 2.894 1.00 0.00 C ATOM 408 OG SER A 28 -5.824 -11.923 4.260 1.00 0.00 O ATOM 0 H SER A 28 -5.754 -12.196 0.245 1.00 0.00 H new ATOM 0 HA SER A 28 -7.708 -12.009 2.454 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.597 -13.364 2.801 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.672 -11.897 2.548 1.00 0.00 H new ATOM 0 HG SER A 28 -5.094 -12.292 4.799 1.00 0.00 H new ATOM 414 N VAL A 29 -7.139 -9.560 2.933 1.00 0.00 N ATOM 415 CA VAL A 29 -7.115 -8.127 2.942 1.00 0.00 C ATOM 416 C VAL A 29 -6.647 -7.594 4.284 1.00 0.00 C ATOM 417 O VAL A 29 -7.058 -8.075 5.347 1.00 0.00 O ATOM 418 CB VAL A 29 -8.499 -7.525 2.590 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.508 -7.762 3.708 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.376 -6.044 2.280 1.00 0.00 C ATOM 0 H VAL A 29 -7.550 -9.986 3.763 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.405 -7.820 2.174 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.867 -8.034 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.468 -7.328 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.628 -8.833 3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.151 -7.295 4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.359 -5.641 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.976 -5.522 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.705 -5.904 1.432 1.00 0.00 H new ATOM 430 N VAL A 30 -5.758 -6.638 4.246 1.00 0.00 N ATOM 431 CA VAL A 30 -5.270 -6.013 5.448 1.00 0.00 C ATOM 432 C VAL A 30 -5.959 -4.674 5.671 1.00 0.00 C ATOM 433 O VAL A 30 -6.216 -3.931 4.726 1.00 0.00 O ATOM 434 CB VAL A 30 -3.736 -5.799 5.383 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.353 -4.968 4.168 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.228 -5.144 6.659 1.00 0.00 C ATOM 0 H VAL A 30 -5.352 -6.271 3.385 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.496 -6.679 6.281 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.265 -6.777 5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.272 -4.833 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.673 -5.481 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.839 -3.994 4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.149 -5.003 6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.713 -4.176 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.458 -5.782 7.512 1.00 0.00 H new ATOM 446 N GLN A 31 -6.295 -4.383 6.912 1.00 0.00 N ATOM 447 CA GLN A 31 -6.892 -3.119 7.267 1.00 0.00 C ATOM 448 C GLN A 31 -5.892 -2.304 8.067 1.00 0.00 C ATOM 449 O GLN A 31 -5.287 -2.799 9.017 1.00 0.00 O ATOM 450 CB GLN A 31 -8.152 -3.352 8.064 1.00 0.00 C ATOM 451 CG GLN A 31 -8.997 -4.475 7.499 1.00 0.00 C ATOM 452 CD GLN A 31 -10.337 -4.581 8.151 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.507 -5.284 9.139 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.293 -3.887 7.606 1.00 0.00 N ATOM 0 H GLN A 31 -6.160 -5.018 7.699 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.157 -2.568 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.888 -3.584 9.096 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.740 -2.434 8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.131 -4.318 6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.465 -5.419 7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.103 -3.315 6.783 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.233 -3.914 8.002 1.00 0.00 H new ATOM 463 N PHE A 32 -5.708 -1.066 7.679 1.00 0.00 N ATOM 464 CA PHE A 32 -4.707 -0.204 8.291 1.00 0.00 C ATOM 465 C PHE A 32 -5.071 1.262 8.138 1.00 0.00 C ATOM 466 O PHE A 32 -5.999 1.611 7.420 1.00 0.00 O ATOM 467 CB PHE A 32 -3.321 -0.471 7.686 1.00 0.00 C ATOM 468 CG PHE A 32 -3.273 -0.345 6.185 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.888 -1.290 5.377 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.628 0.719 5.585 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.861 -1.175 4.011 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.599 0.838 4.219 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.215 -0.107 3.429 1.00 0.00 C ATOM 0 H PHE A 32 -6.242 -0.621 6.933 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.678 -0.436 9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.605 0.226 8.122 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.000 -1.474 7.967 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.395 -2.129 5.830 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.142 1.464 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.344 -1.918 3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.092 1.675 3.762 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.191 -0.011 2.354 1.00 0.00 H new ATOM 483 N LYS A 33 -4.353 2.119 8.833 1.00 0.00 N ATOM 484 CA LYS A 33 -4.620 3.543 8.786 1.00 0.00 C ATOM 485 C LYS A 33 -3.416 4.298 8.233 1.00 0.00 C ATOM 486 O LYS A 33 -2.267 3.989 8.571 1.00 0.00 O ATOM 487 CB LYS A 33 -4.978 4.057 10.177 1.00 0.00 C ATOM 488 CG LYS A 33 -5.956 3.161 10.919 1.00 0.00 C ATOM 489 CD LYS A 33 -6.473 3.814 12.191 1.00 0.00 C ATOM 490 CE LYS A 33 -5.358 4.044 13.199 1.00 0.00 C ATOM 491 NZ LYS A 33 -4.731 2.770 13.637 1.00 0.00 N ATOM 0 H LYS A 33 -3.577 1.854 9.440 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.466 3.715 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.066 4.153 10.766 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.407 5.055 10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.796 2.922 10.267 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.468 2.219 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.944 4.766 11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.242 3.183 12.637 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.598 4.689 12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.757 4.569 14.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.138 2.945 14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.473 2.082 13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.142 2.391 12.868 1.00 0.00 H new ATOM 505 N ILE A 34 -3.668 5.279 7.377 1.00 0.00 N ATOM 506 CA ILE A 34 -2.602 6.072 6.778 1.00 0.00 C ATOM 507 C ILE A 34 -3.037 7.538 6.625 1.00 0.00 C ATOM 508 O ILE A 34 -4.228 7.841 6.437 1.00 0.00 O ATOM 509 CB ILE A 34 -2.159 5.489 5.403 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.013 6.313 4.801 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.337 5.416 4.444 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.463 5.754 3.506 1.00 0.00 C ATOM 0 H ILE A 34 -4.607 5.546 7.080 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.744 6.030 7.449 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.793 4.476 5.568 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.364 7.330 4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.204 6.377 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.005 5.006 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.110 4.774 4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.742 6.416 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.343 6.394 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.079 4.749 3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.257 5.716 2.760 1.00 0.00 H new ATOM 524 N LYS A 35 -2.086 8.451 6.734 1.00 0.00 N ATOM 525 CA LYS A 35 -2.379 9.866 6.633 1.00 0.00 C ATOM 526 C LYS A 35 -2.409 10.311 5.189 1.00 0.00 C ATOM 527 O LYS A 35 -1.813 9.689 4.321 1.00 0.00 O ATOM 528 CB LYS A 35 -1.366 10.690 7.420 1.00 0.00 C ATOM 529 CG LYS A 35 -1.088 10.137 8.805 1.00 0.00 C ATOM 530 CD LYS A 35 -0.714 11.233 9.794 1.00 0.00 C ATOM 531 CE LYS A 35 0.558 11.961 9.389 1.00 0.00 C ATOM 532 NZ LYS A 35 0.920 13.019 10.367 1.00 0.00 N ATOM 0 H LYS A 35 -1.102 8.234 6.893 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.366 10.032 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.432 10.735 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.733 11.712 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.969 9.607 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.279 9.409 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.533 11.949 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.582 10.797 10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.376 11.246 9.307 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.424 12.407 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.792 13.494 10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.149 13.715 10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.072 12.590 11.302 1.00 0.00 H new ATOM 546 N ARG A 36 -3.089 11.410 4.943 1.00 0.00 N ATOM 547 CA ARG A 36 -3.242 11.947 3.601 1.00 0.00 C ATOM 548 C ARG A 36 -1.906 12.469 3.084 1.00 0.00 C ATOM 549 O ARG A 36 -1.596 12.369 1.899 1.00 0.00 O ATOM 550 CB ARG A 36 -4.270 13.082 3.589 1.00 0.00 C ATOM 551 CG ARG A 36 -5.540 12.811 4.391 1.00 0.00 C ATOM 552 CD ARG A 36 -6.177 11.469 4.038 1.00 0.00 C ATOM 553 NE ARG A 36 -6.383 11.296 2.593 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.281 11.966 1.847 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.063 12.895 2.396 1.00 0.00 N ATOM 556 NH2 ARG A 36 -7.385 11.699 0.550 1.00 0.00 N ATOM 0 H ARG A 36 -3.553 11.960 5.666 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.591 11.143 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.798 13.984 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.548 13.289 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.305 12.830 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.259 13.610 4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.543 10.663 4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.136 11.382 4.550 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.797 10.611 2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.985 13.105 3.391 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.740 13.397 1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.787 10.990 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.063 12.203 -0.022 1.00 0.00 H new ATOM 570 N HIS A 37 -1.104 13.013 3.989 1.00 0.00 N ATOM 571 CA HIS A 37 0.193 13.587 3.634 1.00 0.00 C ATOM 572 C HIS A 37 1.305 12.569 3.839 1.00 0.00 C ATOM 573 O HIS A 37 2.490 12.877 3.722 1.00 0.00 O ATOM 574 CB HIS A 37 0.462 14.841 4.470 1.00 0.00 C ATOM 575 CG HIS A 37 -0.546 15.929 4.250 1.00 0.00 C ATOM 576 ND1 HIS A 37 -1.560 16.212 5.142 1.00 0.00 N ATOM 577 CD2 HIS A 37 -0.704 16.790 3.222 1.00 0.00 C ATOM 578 CE1 HIS A 37 -2.296 17.197 4.666 1.00 0.00 C ATOM 579 NE2 HIS A 37 -1.798 17.564 3.506 1.00 0.00 N ATOM 0 H HIS A 37 -1.328 13.070 4.982 1.00 0.00 H new ATOM 0 HA HIS A 37 0.171 13.864 2.580 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.469 14.570 5.526 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.455 15.222 4.232 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -0.084 16.856 2.340 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -3.161 17.629 5.147 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.167 18.307 2.912 1.00 0.00 H new ATOM 588 N THR A 38 0.919 11.358 4.154 1.00 0.00 N ATOM 589 CA THR A 38 1.852 10.285 4.356 1.00 0.00 C ATOM 590 C THR A 38 2.025 9.486 3.065 1.00 0.00 C ATOM 591 O THR A 38 1.044 9.134 2.415 1.00 0.00 O ATOM 592 CB THR A 38 1.392 9.362 5.509 1.00 0.00 C ATOM 593 OG1 THR A 38 1.558 10.041 6.761 1.00 0.00 O ATOM 594 CG2 THR A 38 2.180 8.064 5.525 1.00 0.00 C ATOM 0 H THR A 38 -0.057 11.090 4.278 1.00 0.00 H new ATOM 0 HA THR A 38 2.815 10.715 4.633 1.00 0.00 H new ATOM 0 HB THR A 38 0.341 9.119 5.353 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.578 9.385 7.489 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.833 7.438 6.347 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.034 7.538 4.581 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.239 8.283 5.658 1.00 0.00 H new ATOM 602 N PRO A 39 3.276 9.214 2.668 1.00 0.00 N ATOM 603 CA PRO A 39 3.569 8.461 1.449 1.00 0.00 C ATOM 604 C PRO A 39 3.078 7.021 1.528 1.00 0.00 C ATOM 605 O PRO A 39 3.007 6.424 2.612 1.00 0.00 O ATOM 606 CB PRO A 39 5.097 8.494 1.362 1.00 0.00 C ATOM 607 CG PRO A 39 5.549 8.740 2.756 1.00 0.00 C ATOM 608 CD PRO A 39 4.504 9.613 3.376 1.00 0.00 C ATOM 0 HA PRO A 39 3.070 8.890 0.580 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.492 7.554 0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.438 9.281 0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.652 7.804 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.524 9.227 2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.423 9.445 4.450 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.726 10.671 3.234 1.00 0.00 H new ATOM 616 N LEU A 40 2.749 6.459 0.380 1.00 0.00 N ATOM 617 CA LEU A 40 2.267 5.091 0.288 1.00 0.00 C ATOM 618 C LEU A 40 3.340 4.086 0.690 1.00 0.00 C ATOM 619 O LEU A 40 3.043 2.926 0.921 1.00 0.00 O ATOM 620 CB LEU A 40 1.771 4.798 -1.129 1.00 0.00 C ATOM 621 CG LEU A 40 0.472 5.487 -1.529 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.264 5.411 -3.026 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.707 4.868 -0.807 1.00 0.00 C ATOM 0 H LEU A 40 2.808 6.939 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 40 1.437 4.986 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.549 5.091 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.637 3.721 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 40 0.545 6.536 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.669 5.909 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.094 5.903 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.217 4.367 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.624 5.375 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.776 3.811 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.570 4.973 0.269 1.00 0.00 H new ATOM 635 N SER A 41 4.591 4.535 0.784 1.00 0.00 N ATOM 636 CA SER A 41 5.703 3.661 1.163 1.00 0.00 C ATOM 637 C SER A 41 5.395 2.858 2.429 1.00 0.00 C ATOM 638 O SER A 41 5.662 1.654 2.497 1.00 0.00 O ATOM 639 CB SER A 41 6.981 4.479 1.344 1.00 0.00 C ATOM 640 OG SER A 41 6.701 5.738 1.935 1.00 0.00 O ATOM 0 H SER A 41 4.861 5.502 0.603 1.00 0.00 H new ATOM 0 HA SER A 41 5.849 2.945 0.354 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.684 3.928 1.969 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.462 4.626 0.377 1.00 0.00 H new ATOM 0 HG SER A 41 7.535 6.242 2.042 1.00 0.00 H new ATOM 672 N LEU A 43 2.406 2.251 3.515 1.00 0.00 N ATOM 673 CA LEU A 43 1.270 1.417 3.144 1.00 0.00 C ATOM 674 C LEU A 43 1.750 0.120 2.505 1.00 0.00 C ATOM 675 O LEU A 43 1.315 -0.975 2.887 1.00 0.00 O ATOM 676 CB LEU A 43 0.320 2.197 2.199 1.00 0.00 C ATOM 677 CG LEU A 43 -0.761 1.379 1.468 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.950 2.254 1.135 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.207 0.791 0.183 1.00 0.00 C ATOM 0 HA LEU A 43 0.711 1.157 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.177 2.972 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.928 2.703 1.449 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.075 0.572 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.705 1.661 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.373 2.659 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.630 3.073 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.985 0.217 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.129 1.596 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.634 0.137 0.415 1.00 0.00 H new ATOM 691 N MET A 44 2.656 0.231 1.526 1.00 0.00 N ATOM 692 CA MET A 44 3.208 -0.952 0.871 1.00 0.00 C ATOM 693 C MET A 44 3.916 -1.834 1.878 1.00 0.00 C ATOM 694 O MET A 44 3.846 -3.062 1.815 1.00 0.00 O ATOM 695 CB MET A 44 4.176 -0.583 -0.267 1.00 0.00 C ATOM 696 CG MET A 44 3.504 -0.148 -1.563 1.00 0.00 C ATOM 697 SD MET A 44 3.139 1.606 -1.629 1.00 0.00 S ATOM 698 CE MET A 44 2.505 1.752 -3.294 1.00 0.00 C ATOM 0 H MET A 44 3.017 1.119 1.176 1.00 0.00 H new ATOM 0 HA MET A 44 2.370 -1.497 0.435 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.827 0.221 0.076 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.813 -1.442 -0.476 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.149 -0.408 -2.402 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.577 -0.708 -1.688 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.282 2.797 -3.508 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.251 1.388 -4.001 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.595 1.160 -3.390 1.00 0.00 H new ATOM 708 N LYS A 45 4.597 -1.205 2.824 1.00 0.00 N ATOM 709 CA LYS A 45 5.307 -1.930 3.855 1.00 0.00 C ATOM 710 C LYS A 45 4.330 -2.609 4.807 1.00 0.00 C ATOM 711 O LYS A 45 4.514 -3.760 5.166 1.00 0.00 O ATOM 712 CB LYS A 45 6.249 -0.991 4.625 1.00 0.00 C ATOM 713 CG LYS A 45 7.009 -1.662 5.768 1.00 0.00 C ATOM 714 CD LYS A 45 7.902 -2.796 5.278 1.00 0.00 C ATOM 715 CE LYS A 45 9.102 -2.271 4.498 1.00 0.00 C ATOM 716 NZ LYS A 45 9.968 -1.393 5.328 1.00 0.00 N ATOM 0 H LYS A 45 4.670 -0.190 2.895 1.00 0.00 H new ATOM 0 HA LYS A 45 5.909 -2.703 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.969 -0.565 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.667 -0.162 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.618 -0.919 6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.297 -2.051 6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.249 -3.380 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.322 -3.468 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.688 -3.112 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.753 -1.716 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.909 -1.320 4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.542 -0.447 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.060 -1.798 6.282 1.00 0.00 H new ATOM 730 N ALA A 46 3.268 -1.899 5.179 1.00 0.00 N ATOM 731 CA ALA A 46 2.263 -2.425 6.103 1.00 0.00 C ATOM 732 C ALA A 46 1.699 -3.743 5.592 1.00 0.00 C ATOM 733 O ALA A 46 1.650 -4.743 6.315 1.00 0.00 O ATOM 734 CB ALA A 46 1.145 -1.415 6.306 1.00 0.00 C ATOM 0 H ALA A 46 3.079 -0.951 4.853 1.00 0.00 H new ATOM 0 HA ALA A 46 2.746 -2.607 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.407 -1.823 6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.557 -0.494 6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.669 -1.202 5.349 1.00 0.00 H new ATOM 740 N TYR A 47 1.282 -3.753 4.336 1.00 0.00 N ATOM 741 CA TYR A 47 0.755 -4.957 3.726 1.00 0.00 C ATOM 742 C TYR A 47 1.833 -6.040 3.635 1.00 0.00 C ATOM 743 O TYR A 47 1.569 -7.232 3.872 1.00 0.00 O ATOM 744 CB TYR A 47 0.181 -4.654 2.342 1.00 0.00 C ATOM 745 CG TYR A 47 -0.136 -5.895 1.542 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.316 -6.586 1.740 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.757 -6.378 0.600 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.606 -7.727 1.025 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.480 -7.516 -0.126 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.703 -8.190 0.088 1.00 0.00 C ATOM 751 OH TYR A 47 -0.981 -9.335 -0.630 1.00 0.00 O ATOM 0 H TYR A 47 1.299 -2.939 3.721 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.050 -5.331 4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.727 -4.061 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.893 -4.044 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.025 -6.224 2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.686 -5.854 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.532 -8.256 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.186 -7.878 -0.859 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.243 -9.521 -1.247 1.00 0.00 H new ATOM 761 N CYS A 48 3.050 -5.624 3.307 1.00 0.00 N ATOM 762 CA CYS A 48 4.182 -6.540 3.182 1.00 0.00 C ATOM 763 C CYS A 48 4.492 -7.203 4.519 1.00 0.00 C ATOM 764 O CYS A 48 4.885 -8.365 4.577 1.00 0.00 O ATOM 765 CB CYS A 48 5.410 -5.783 2.637 1.00 0.00 C ATOM 766 SG CYS A 48 7.014 -6.392 3.198 1.00 0.00 S ATOM 0 H CYS A 48 3.282 -4.648 3.121 1.00 0.00 H new ATOM 0 HA CYS A 48 3.922 -7.330 2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.386 -5.825 1.548 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.321 -4.734 2.918 1.00 0.00 H new ATOM 0 HG CYS A 48 7.047 -7.687 3.094 1.00 0.00 H new ATOM 772 N GLU A 49 4.293 -6.471 5.587 1.00 0.00 N ATOM 773 CA GLU A 49 4.545 -6.966 6.929 1.00 0.00 C ATOM 774 C GLU A 49 3.510 -7.996 7.351 1.00 0.00 C ATOM 775 O GLU A 49 3.837 -9.009 7.959 1.00 0.00 O ATOM 776 CB GLU A 49 4.555 -5.804 7.903 1.00 0.00 C ATOM 777 CG GLU A 49 5.699 -4.850 7.666 1.00 0.00 C ATOM 778 CD GLU A 49 7.011 -5.397 8.162 1.00 0.00 C ATOM 779 OE1 GLU A 49 7.677 -6.139 7.413 1.00 0.00 O ATOM 780 OE2 GLU A 49 7.383 -5.096 9.312 1.00 0.00 O ATOM 0 H GLU A 49 3.950 -5.511 5.556 1.00 0.00 H new ATOM 0 HA GLU A 49 5.517 -7.459 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.613 -5.261 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.615 -6.190 8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.777 -4.637 6.600 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.490 -3.904 8.166 1.00 0.00 H new ATOM 787 N ARG A 50 2.257 -7.745 7.015 1.00 0.00 N ATOM 788 CA ARG A 50 1.172 -8.645 7.394 1.00 0.00 C ATOM 789 C ARG A 50 1.254 -9.963 6.652 1.00 0.00 C ATOM 790 O ARG A 50 1.074 -11.029 7.232 1.00 0.00 O ATOM 791 CB ARG A 50 -0.176 -7.997 7.131 1.00 0.00 C ATOM 792 CG ARG A 50 -0.379 -6.697 7.870 1.00 0.00 C ATOM 793 CD ARG A 50 -0.263 -6.880 9.371 1.00 0.00 C ATOM 794 NE ARG A 50 -1.252 -7.830 9.896 1.00 0.00 N ATOM 795 CZ ARG A 50 -1.874 -7.700 11.073 1.00 0.00 C ATOM 796 NH1 ARG A 50 -1.622 -6.656 11.857 1.00 0.00 N ATOM 797 NH2 ARG A 50 -2.747 -8.616 11.465 1.00 0.00 N ATOM 0 H ARG A 50 1.962 -6.928 6.481 1.00 0.00 H new ATOM 0 HA ARG A 50 1.276 -8.845 8.460 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.280 -7.816 6.061 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.965 -8.693 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.359 -5.969 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.361 -6.290 7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.740 -7.231 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.392 -5.916 9.863 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.480 -8.644 9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.950 -5.947 11.562 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.100 -6.564 12.753 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.945 -9.420 10.869 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.222 -8.517 12.362 1.00 0.00 H new ATOM 811 N GLN A 51 1.521 -9.897 5.369 1.00 0.00 N ATOM 812 CA GLN A 51 1.601 -11.100 4.553 1.00 0.00 C ATOM 813 C GLN A 51 2.987 -11.736 4.619 1.00 0.00 C ATOM 814 O GLN A 51 3.171 -12.887 4.243 1.00 0.00 O ATOM 815 CB GLN A 51 1.204 -10.810 3.102 1.00 0.00 C ATOM 816 CG GLN A 51 -0.271 -11.074 2.785 1.00 0.00 C ATOM 817 CD GLN A 51 -1.246 -10.213 3.584 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.854 -8.989 3.896 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.355 -10.642 3.893 1.00 0.00 N flip ATOM 0 H GLN A 51 1.687 -9.028 4.862 1.00 0.00 H new ATOM 0 HA GLN A 51 0.890 -11.817 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.430 -9.768 2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.820 -11.420 2.441 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.439 -10.902 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.490 -12.124 2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.624 -11.592 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.006 -10.049 4.407 1.00 0.00 H new ATOM 828 N GLY A 52 3.969 -10.977 5.083 1.00 0.00 N ATOM 829 CA GLY A 52 5.322 -11.500 5.217 1.00 0.00 C ATOM 830 C GLY A 52 6.059 -11.581 3.891 1.00 0.00 C ATOM 831 O GLY A 52 7.190 -12.065 3.826 1.00 0.00 O ATOM 0 H GLY A 52 3.857 -10.005 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.885 -10.866 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.280 -12.493 5.664 1.00 0.00 H new ATOM 835 N LEU A 53 5.419 -11.123 2.829 1.00 0.00 N ATOM 836 CA LEU A 53 6.012 -11.136 1.499 1.00 0.00 C ATOM 837 C LEU A 53 6.915 -9.925 1.274 1.00 0.00 C ATOM 838 O LEU A 53 7.026 -9.051 2.127 1.00 0.00 O ATOM 839 CB LEU A 53 4.907 -11.213 0.424 1.00 0.00 C ATOM 840 CG LEU A 53 3.724 -10.236 0.581 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.138 -8.806 0.291 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.570 -10.649 -0.318 1.00 0.00 C ATOM 0 H LEU A 53 4.477 -10.733 2.862 1.00 0.00 H new ATOM 0 HA LEU A 53 6.640 -12.023 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.366 -11.040 -0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.511 -12.229 0.414 1.00 0.00 H new ATOM 0 HG LEU A 53 3.394 -10.280 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.278 -8.147 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.925 -8.507 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.509 -8.735 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.744 -9.949 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.898 -10.643 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.239 -11.652 -0.048 1.00 0.00 H new ATOM 854 N SER A 54 7.559 -9.880 0.123 1.00 0.00 N ATOM 855 CA SER A 54 8.440 -8.783 -0.228 1.00 0.00 C ATOM 856 C SER A 54 7.692 -7.722 -1.040 1.00 0.00 C ATOM 857 O SER A 54 7.021 -8.037 -2.023 1.00 0.00 O ATOM 858 CB SER A 54 9.629 -9.324 -1.020 1.00 0.00 C ATOM 859 OG SER A 54 10.431 -10.170 -0.209 1.00 0.00 O ATOM 0 H SER A 54 7.486 -10.602 -0.594 1.00 0.00 H new ATOM 0 HA SER A 54 8.800 -8.310 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.272 -9.877 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.230 -8.495 -1.395 1.00 0.00 H new ATOM 0 HG SER A 54 11.186 -10.508 -0.735 1.00 0.00 H new ATOM 865 N MET A 55 7.822 -6.456 -0.635 1.00 0.00 N ATOM 866 CA MET A 55 7.142 -5.351 -1.324 1.00 0.00 C ATOM 867 C MET A 55 7.686 -5.151 -2.737 1.00 0.00 C ATOM 868 O MET A 55 7.018 -4.593 -3.598 1.00 0.00 O ATOM 869 CB MET A 55 7.241 -4.030 -0.529 1.00 0.00 C ATOM 870 CG MET A 55 8.661 -3.614 -0.153 1.00 0.00 C ATOM 871 SD MET A 55 8.881 -1.819 -0.092 1.00 0.00 S ATOM 872 CE MET A 55 7.602 -1.351 1.067 1.00 0.00 C ATOM 0 H MET A 55 8.389 -6.169 0.163 1.00 0.00 H new ATOM 0 HA MET A 55 6.090 -5.629 -1.394 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.788 -3.233 -1.118 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.652 -4.126 0.383 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.912 -4.038 0.819 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.360 -4.036 -0.875 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.009 -0.649 1.794 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.779 -0.881 0.530 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.238 -2.238 1.585 1.00 0.00 H new ATOM 882 N ARG A 56 8.900 -5.619 -2.980 1.00 0.00 N ATOM 883 CA ARG A 56 9.516 -5.488 -4.297 1.00 0.00 C ATOM 884 C ARG A 56 8.992 -6.561 -5.258 1.00 0.00 C ATOM 885 O ARG A 56 9.275 -6.540 -6.451 1.00 0.00 O ATOM 886 CB ARG A 56 11.042 -5.585 -4.185 1.00 0.00 C ATOM 887 CG ARG A 56 11.549 -6.945 -3.738 1.00 0.00 C ATOM 888 CD ARG A 56 13.063 -6.973 -3.664 1.00 0.00 C ATOM 889 NE ARG A 56 13.590 -6.099 -2.611 1.00 0.00 N ATOM 890 CZ ARG A 56 14.889 -5.828 -2.441 1.00 0.00 C ATOM 891 NH1 ARG A 56 15.796 -6.355 -3.264 1.00 0.00 N ATOM 892 NH2 ARG A 56 15.281 -5.032 -1.449 1.00 0.00 N ATOM 0 H ARG A 56 9.479 -6.092 -2.287 1.00 0.00 H new ATOM 0 HA ARG A 56 9.250 -4.509 -4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.482 -5.346 -5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.392 -4.830 -3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.131 -7.188 -2.761 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.203 -7.711 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.396 -7.995 -3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.476 -6.668 -4.625 1.00 0.00 H new ATOM 0 HE ARG A 56 12.924 -5.671 -1.968 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.500 -6.966 -4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.786 -6.147 -3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.591 -4.627 -0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.272 -4.827 -1.321 1.00 0.00 H new ATOM 906 N GLN A 57 8.233 -7.504 -4.728 1.00 0.00 N ATOM 907 CA GLN A 57 7.704 -8.605 -5.530 1.00 0.00 C ATOM 908 C GLN A 57 6.235 -8.424 -5.827 1.00 0.00 C ATOM 909 O GLN A 57 5.587 -9.311 -6.385 1.00 0.00 O ATOM 910 CB GLN A 57 7.908 -9.917 -4.791 1.00 0.00 C ATOM 911 CG GLN A 57 9.353 -10.218 -4.486 1.00 0.00 C ATOM 912 CD GLN A 57 10.164 -10.471 -5.738 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.722 -9.420 -6.299 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.271 -11.601 -6.203 1.00 0.00 N flip ATOM 0 H GLN A 57 7.966 -7.534 -3.744 1.00 0.00 H new ATOM 0 HA GLN A 57 8.243 -8.616 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.346 -9.890 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.494 -10.729 -5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.788 -9.383 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.411 -11.091 -3.836 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.822 -12.389 -5.736 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.809 -11.753 -7.056 1.00 0.00 H new ATOM 923 N ILE A 58 5.698 -7.281 -5.487 1.00 0.00 N ATOM 924 CA ILE A 58 4.285 -7.052 -5.656 1.00 0.00 C ATOM 925 C ILE A 58 4.014 -5.679 -6.233 1.00 0.00 C ATOM 926 O ILE A 58 4.913 -4.851 -6.365 1.00 0.00 O ATOM 927 CB ILE A 58 3.526 -7.200 -4.317 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.194 -6.361 -3.240 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.479 -8.650 -3.890 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.393 -6.251 -1.965 1.00 0.00 C ATOM 0 H ILE A 58 6.215 -6.496 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 58 3.925 -7.808 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 58 2.505 -6.847 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.168 -6.792 -3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.373 -5.360 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.941 -8.734 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.968 -9.237 -4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.495 -9.025 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.936 -5.637 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.428 -5.791 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.236 -7.245 -1.547 1.00 0.00 H new ATOM 942 N ARG A 59 2.767 -5.442 -6.579 1.00 0.00 N ATOM 943 CA ARG A 59 2.348 -4.180 -7.140 1.00 0.00 C ATOM 944 C ARG A 59 1.005 -3.780 -6.596 1.00 0.00 C ATOM 945 O ARG A 59 0.147 -4.633 -6.332 1.00 0.00 O ATOM 946 CB ARG A 59 2.297 -4.247 -8.657 1.00 0.00 C ATOM 947 CG ARG A 59 3.655 -4.179 -9.315 1.00 0.00 C ATOM 948 CD ARG A 59 4.261 -2.792 -9.179 1.00 0.00 C ATOM 949 NE ARG A 59 3.524 -1.778 -9.942 1.00 0.00 N ATOM 950 CZ ARG A 59 3.954 -0.526 -10.142 1.00 0.00 C ATOM 951 NH1 ARG A 59 5.139 -0.143 -9.678 1.00 0.00 N ATOM 952 NH2 ARG A 59 3.205 0.328 -10.831 1.00 0.00 N ATOM 0 H ARG A 59 2.014 -6.123 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 59 3.083 -3.427 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.805 -5.173 -8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.682 -3.427 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.319 -4.915 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.565 -4.438 -10.370 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.278 -2.508 -8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.296 -2.817 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 59 2.626 -2.044 -10.346 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.725 -0.804 -9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.463 0.812 -9.833 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.305 0.029 -11.206 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.530 1.282 -10.985 1.00 0.00 H new ATOM 966 N PHE A 60 0.821 -2.485 -6.429 1.00 0.00 N ATOM 967 CA PHE A 60 -0.413 -1.941 -5.879 1.00 0.00 C ATOM 968 C PHE A 60 -1.141 -1.109 -6.921 1.00 0.00 C ATOM 969 O PHE A 60 -0.545 -0.237 -7.571 1.00 0.00 O ATOM 970 CB PHE A 60 -0.123 -1.068 -4.643 1.00 0.00 C ATOM 971 CG PHE A 60 0.380 -1.822 -3.441 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.616 -2.448 -3.455 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.387 -1.896 -2.292 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.075 -3.132 -2.347 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.068 -2.580 -1.181 1.00 0.00 C ATOM 976 CZ PHE A 60 1.299 -3.197 -1.210 1.00 0.00 C ATOM 0 H PHE A 60 1.518 -1.779 -6.669 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.043 -2.780 -5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.614 -0.312 -4.914 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.035 -0.539 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.228 -2.400 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.353 -1.413 -2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.041 -3.615 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.541 -2.631 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.656 -3.732 -0.342 1.00 0.00 H new ATOM 986 N ARG A 61 -2.422 -1.368 -7.093 1.00 0.00 N ATOM 987 CA ARG A 61 -3.218 -0.603 -8.027 1.00 0.00 C ATOM 988 C ARG A 61 -4.538 -0.172 -7.395 1.00 0.00 C ATOM 989 O ARG A 61 -5.190 -0.941 -6.680 1.00 0.00 O ATOM 990 CB ARG A 61 -3.437 -1.386 -9.340 1.00 0.00 C ATOM 991 CG ARG A 61 -4.389 -2.560 -9.244 1.00 0.00 C ATOM 992 CD ARG A 61 -5.833 -2.137 -9.494 1.00 0.00 C ATOM 993 NE ARG A 61 -6.700 -3.273 -9.801 1.00 0.00 N ATOM 994 CZ ARG A 61 -8.008 -3.320 -9.544 1.00 0.00 C ATOM 995 NH1 ARG A 61 -8.597 -2.334 -8.868 1.00 0.00 N ATOM 996 NH2 ARG A 61 -8.717 -4.370 -9.938 1.00 0.00 N ATOM 0 H ARG A 61 -2.931 -2.101 -6.599 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.669 0.304 -8.280 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.812 -0.697 -10.096 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.472 -1.750 -9.691 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.102 -3.321 -9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.309 -3.014 -8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.215 -1.619 -8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.863 -1.427 -10.320 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.275 -4.088 -10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.047 -1.538 -8.544 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.598 -2.375 -8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.261 -5.136 -10.435 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.718 -4.412 -9.744 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.922 1.052 -7.651 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.138 1.613 -7.110 1.00 0.00 C ATOM 1012 C PHE A 62 -6.842 2.423 -8.179 1.00 0.00 C ATOM 1013 O PHE A 62 -6.200 3.104 -8.952 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.812 2.512 -5.907 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.999 3.257 -5.363 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.876 2.643 -4.492 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.238 4.572 -5.734 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.970 3.322 -4.002 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.330 5.257 -5.245 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.198 4.629 -4.378 1.00 0.00 C ATOM 0 H PHE A 62 -4.397 1.694 -8.245 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.790 0.804 -6.781 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.385 1.899 -5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.047 3.231 -6.200 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.703 1.620 -4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.560 5.066 -6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.650 2.830 -3.322 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.504 6.281 -5.540 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.056 5.160 -3.993 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.167 2.335 -8.233 1.00 0.00 N ATOM 1031 CA ASP A 63 -8.968 3.126 -9.191 1.00 0.00 C ATOM 1032 C ASP A 63 -8.600 2.791 -10.627 1.00 0.00 C ATOM 1033 O ASP A 63 -8.782 3.600 -11.534 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.725 4.616 -8.959 1.00 0.00 C ATOM 1035 CG ASP A 63 -9.860 5.490 -9.440 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -10.993 5.318 -8.954 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.617 6.375 -10.290 1.00 0.00 O ATOM 0 H ASP A 63 -8.719 1.726 -7.629 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.018 2.881 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.568 4.790 -7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.808 4.911 -9.469 1.00 0.00 H new ATOM 1042 N GLY A 64 -8.102 1.596 -10.855 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.686 1.243 -12.183 1.00 0.00 C ATOM 1044 C GLY A 64 -6.282 1.726 -12.510 1.00 0.00 C ATOM 1045 O GLY A 64 -5.729 1.383 -13.549 1.00 0.00 O ATOM 0 H GLY A 64 -7.979 0.869 -10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.728 0.160 -12.296 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.387 1.666 -12.903 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.686 2.508 -11.620 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.358 3.054 -11.863 1.00 0.00 C ATOM 1051 C GLN A 65 -3.358 2.574 -10.815 1.00 0.00 C ATOM 1052 O GLN A 65 -3.692 2.415 -9.648 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.405 4.592 -11.901 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.019 5.223 -10.662 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.115 6.725 -10.759 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.207 7.450 -10.358 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.213 7.199 -11.296 1.00 0.00 N ATOM 0 H GLN A 65 -6.099 2.778 -10.727 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.022 2.691 -12.834 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.391 4.973 -12.026 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.974 4.906 -12.776 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.015 4.809 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.422 4.957 -9.790 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.941 6.560 -11.615 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.339 8.206 -11.394 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.128 2.311 -11.229 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.071 1.881 -10.319 1.00 0.00 C ATOM 1068 C PRO A 66 -0.551 3.047 -9.475 1.00 0.00 C ATOM 1069 O PRO A 66 -0.557 4.202 -9.915 1.00 0.00 O ATOM 1070 CB PRO A 66 0.019 1.377 -11.266 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.182 2.161 -12.518 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.663 2.400 -12.625 1.00 0.00 C ATOM 0 HA PRO A 66 -1.410 1.130 -9.605 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.013 1.541 -10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.077 0.307 -11.448 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.363 3.104 -12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.188 1.614 -13.385 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.882 3.375 -13.059 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.145 1.654 -13.257 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.113 2.760 -8.259 1.00 0.00 N ATOM 1081 CA ILE A 67 0.408 3.801 -7.384 1.00 0.00 C ATOM 1082 C ILE A 67 1.770 3.440 -6.843 1.00 0.00 C ATOM 1083 O ILE A 67 2.020 2.303 -6.438 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.531 4.158 -6.192 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -0.978 2.899 -5.404 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.726 4.975 -6.665 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.159 2.167 -6.002 1.00 0.00 C ATOM 0 H ILE A 67 -0.107 1.823 -7.857 1.00 0.00 H new ATOM 0 HA ILE A 67 0.478 4.684 -8.020 1.00 0.00 H new ATOM 0 HB ILE A 67 0.043 4.774 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.136 2.210 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.229 3.194 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.365 5.211 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.376 5.900 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.293 4.400 -7.397 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.401 1.301 -5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.019 2.836 -6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.909 1.836 -7.010 1.00 0.00 H new ATOM 1099 N ASN A 68 2.656 4.398 -6.871 1.00 0.00 N ATOM 1100 CA ASN A 68 3.995 4.235 -6.355 1.00 0.00 C ATOM 1101 C ASN A 68 4.073 4.720 -4.924 1.00 0.00 C ATOM 1102 O ASN A 68 3.297 5.574 -4.502 1.00 0.00 O ATOM 1103 CB ASN A 68 4.999 4.995 -7.227 1.00 0.00 C ATOM 1104 CG ASN A 68 4.361 6.173 -7.935 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.902 6.055 -9.072 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.314 7.300 -7.273 1.00 0.00 N ATOM 0 H ASN A 68 2.470 5.324 -7.256 1.00 0.00 H new ATOM 0 HA ASN A 68 4.246 3.175 -6.377 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.823 5.348 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.424 4.316 -7.966 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.885 8.123 -7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.706 7.356 -6.333 1.00 0.00 H new ATOM 1113 N GLU A 69 5.022 4.184 -4.181 1.00 0.00 N ATOM 1114 CA GLU A 69 5.212 4.525 -2.767 1.00 0.00 C ATOM 1115 C GLU A 69 5.518 6.008 -2.571 1.00 0.00 C ATOM 1116 O GLU A 69 5.343 6.556 -1.480 1.00 0.00 O ATOM 1117 CB GLU A 69 6.351 3.707 -2.190 1.00 0.00 C ATOM 1118 CG GLU A 69 7.621 3.783 -3.014 1.00 0.00 C ATOM 1119 CD GLU A 69 8.857 3.460 -2.216 1.00 0.00 C ATOM 1120 OE1 GLU A 69 9.382 4.367 -1.533 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.321 2.305 -2.273 1.00 0.00 O ATOM 0 H GLU A 69 5.689 3.497 -4.533 1.00 0.00 H new ATOM 0 HA GLU A 69 4.279 4.299 -2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.561 4.053 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.038 2.666 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.546 3.092 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.717 4.785 -3.433 1.00 0.00 H new ATOM 1128 N THR A 70 5.988 6.645 -3.619 1.00 0.00 N ATOM 1129 CA THR A 70 6.344 8.044 -3.579 1.00 0.00 C ATOM 1130 C THR A 70 5.101 8.934 -3.615 1.00 0.00 C ATOM 1131 O THR A 70 5.167 10.138 -3.356 1.00 0.00 O ATOM 1132 CB THR A 70 7.259 8.381 -4.759 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.632 7.960 -5.971 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.583 7.657 -4.618 1.00 0.00 C ATOM 0 H THR A 70 6.135 6.205 -4.527 1.00 0.00 H new ATOM 0 HA THR A 70 6.870 8.234 -2.643 1.00 0.00 H new ATOM 0 HB THR A 70 7.436 9.456 -4.775 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.212 8.174 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.225 7.905 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.068 7.964 -3.691 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.409 6.581 -4.598 1.00 0.00 H new ATOM 1142 N ASP A 71 3.966 8.341 -3.929 1.00 0.00 N ATOM 1143 CA ASP A 71 2.716 9.074 -3.981 1.00 0.00 C ATOM 1144 C ASP A 71 1.954 8.928 -2.678 1.00 0.00 C ATOM 1145 O ASP A 71 2.290 8.089 -1.838 1.00 0.00 O ATOM 1146 CB ASP A 71 1.862 8.632 -5.177 1.00 0.00 C ATOM 1147 CG ASP A 71 1.968 9.612 -6.338 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.513 10.767 -6.186 1.00 0.00 O ATOM 1149 OD2 ASP A 71 2.518 9.242 -7.399 1.00 0.00 O ATOM 0 H ASP A 71 3.884 7.349 -4.153 1.00 0.00 H new ATOM 0 HA ASP A 71 2.950 10.130 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.180 7.643 -5.506 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.820 8.545 -4.868 1.00 0.00 H new ATOM 1154 N THR A 72 0.950 9.755 -2.490 1.00 0.00 N ATOM 1155 CA THR A 72 0.158 9.738 -1.270 1.00 0.00 C ATOM 1156 C THR A 72 -1.291 9.347 -1.563 1.00 0.00 C ATOM 1157 O THR A 72 -1.762 9.484 -2.699 1.00 0.00 O ATOM 1158 CB THR A 72 0.174 11.126 -0.594 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.191 12.136 -1.548 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.548 11.436 -0.021 1.00 0.00 C ATOM 0 H THR A 72 0.657 10.456 -3.171 1.00 0.00 H new ATOM 0 HA THR A 72 0.601 8.999 -0.602 1.00 0.00 H new ATOM 0 HB THR A 72 -0.547 11.117 0.224 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.181 13.015 -1.114 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.533 12.419 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.811 10.682 0.721 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.287 11.429 -0.823 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.031 8.860 -0.540 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.447 8.493 -0.688 1.00 0.00 C ATOM 1170 C PRO A 73 -4.342 9.722 -0.936 1.00 0.00 C ATOM 1171 O PRO A 73 -5.556 9.605 -1.137 1.00 0.00 O ATOM 1172 CB PRO A 73 -3.792 7.846 0.662 1.00 0.00 C ATOM 1173 CG PRO A 73 -2.800 8.405 1.616 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.538 8.603 0.832 1.00 0.00 C ATOM 0 HA PRO A 73 -3.612 7.838 -1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.811 8.085 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.721 6.760 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.151 9.348 2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.637 7.725 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.954 9.440 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.897 7.722 0.871 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.744 10.898 -0.914 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.473 12.128 -1.151 1.00 0.00 C ATOM 1184 C ALA A 74 -4.382 12.528 -2.612 1.00 0.00 C ATOM 1185 O ALA A 74 -5.229 13.255 -3.124 1.00 0.00 O ATOM 1186 CB ALA A 74 -3.936 13.240 -0.268 1.00 0.00 C ATOM 0 H ALA A 74 -2.748 11.027 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.521 11.960 -0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.494 14.157 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.046 12.958 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.882 13.404 -0.490 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.366 12.013 -3.298 1.00 0.00 N ATOM 1193 CA GLN A 75 -3.115 12.349 -4.693 1.00 0.00 C ATOM 1194 C GLN A 75 -4.278 11.916 -5.574 1.00 0.00 C ATOM 1195 O GLN A 75 -4.680 12.623 -6.498 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.841 11.664 -5.174 1.00 0.00 C ATOM 1197 CG GLN A 75 -1.120 12.420 -6.264 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.409 13.639 -5.723 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.973 14.735 -5.670 1.00 0.00 O ATOM 1200 NE2 GLN A 75 0.829 13.455 -5.313 1.00 0.00 N ATOM 0 H GLN A 75 -2.696 11.353 -2.903 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.002 13.431 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.167 11.534 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.090 10.668 -5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.398 11.762 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.834 12.725 -7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.255 12.530 -5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.362 14.237 -4.932 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.828 10.758 -5.278 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.917 10.205 -6.059 1.00 0.00 C ATOM 1211 C LEU A 76 -7.242 10.335 -5.325 1.00 0.00 C ATOM 1212 O LEU A 76 -8.286 9.915 -5.818 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.640 8.724 -6.468 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.918 7.799 -5.444 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.423 8.096 -5.371 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.545 7.901 -4.063 1.00 0.00 C ATOM 0 H LEU A 76 -4.536 10.175 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.986 10.788 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.596 8.263 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.046 8.737 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.042 6.777 -5.801 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.955 7.430 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.973 7.939 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.272 9.131 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.016 7.242 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.476 8.929 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.593 7.605 -4.116 1.00 0.00 H new ATOM 1228 N GLU A 77 -7.189 10.942 -4.140 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.367 11.144 -3.302 1.00 0.00 C ATOM 1230 C GLU A 77 -9.156 9.865 -3.066 1.00 0.00 C ATOM 1231 O GLU A 77 -10.304 9.733 -3.489 1.00 0.00 O ATOM 1232 CB GLU A 77 -9.267 12.248 -3.859 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.868 13.638 -3.401 1.00 0.00 C ATOM 1234 CD GLU A 77 -9.168 13.871 -1.931 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -8.916 12.963 -1.109 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.669 14.959 -1.592 1.00 0.00 O ATOM 0 H GLU A 77 -6.327 11.307 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.994 11.464 -2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.243 12.211 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.296 12.055 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.803 13.785 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.396 14.380 -3.999 1.00 0.00 H new ATOM 1243 N MET A 78 -8.525 8.901 -2.422 1.00 0.00 N ATOM 1244 CA MET A 78 -9.210 7.672 -2.071 1.00 0.00 C ATOM 1245 C MET A 78 -10.124 7.898 -0.876 1.00 0.00 C ATOM 1246 O MET A 78 -10.015 8.910 -0.171 1.00 0.00 O ATOM 1247 CB MET A 78 -8.224 6.530 -1.803 1.00 0.00 C ATOM 1248 CG MET A 78 -7.100 6.887 -0.863 1.00 0.00 C ATOM 1249 SD MET A 78 -5.980 5.508 -0.539 1.00 0.00 S ATOM 1250 CE MET A 78 -5.724 4.840 -2.180 1.00 0.00 C ATOM 0 H MET A 78 -7.548 8.944 -2.133 1.00 0.00 H new ATOM 0 HA MET A 78 -9.821 7.374 -2.923 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.771 5.683 -1.390 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.798 6.203 -2.752 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.532 7.717 -1.284 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.520 7.235 0.081 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.669 4.603 -2.316 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.318 3.934 -2.301 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.029 5.576 -2.924 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.013 6.964 -0.649 1.00 0.00 N ATOM 1261 CA GLU A 79 -12.012 7.072 0.400 1.00 0.00 C ATOM 1262 C GLU A 79 -11.553 6.333 1.660 1.00 0.00 C ATOM 1263 O GLU A 79 -10.602 5.544 1.619 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.322 6.484 -0.127 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.522 6.637 0.784 1.00 0.00 C ATOM 1266 CD GLU A 79 -15.752 6.003 0.188 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -15.835 4.754 0.183 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -16.626 6.740 -0.311 1.00 0.00 O ATOM 0 H GLU A 79 -11.070 6.099 -1.187 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.158 8.118 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.552 6.955 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.170 5.423 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.307 6.180 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.709 7.695 0.967 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.220 6.584 2.787 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.880 5.898 4.025 1.00 0.00 C ATOM 1277 C ASP A 80 -12.279 4.444 3.935 1.00 0.00 C ATOM 1278 O ASP A 80 -13.394 4.109 3.519 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.558 6.509 5.254 1.00 0.00 C ATOM 1280 CG ASP A 80 -12.018 7.839 5.677 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -12.356 8.860 5.043 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -11.275 7.877 6.678 1.00 0.00 O ATOM 0 H ASP A 80 -12.989 7.250 2.864 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.802 6.004 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.623 6.615 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.462 5.813 6.087 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.353 3.589 4.302 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.538 2.144 4.317 1.00 0.00 C ATOM 1289 C GLU A 81 -11.636 1.580 2.912 1.00 0.00 C ATOM 1290 O GLU A 81 -12.156 0.481 2.707 1.00 0.00 O ATOM 1291 CB GLU A 81 -12.750 1.722 5.159 1.00 0.00 C ATOM 1292 CG GLU A 81 -12.629 2.074 6.630 1.00 0.00 C ATOM 1293 CD GLU A 81 -13.504 1.204 7.505 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -13.138 0.037 7.742 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -14.558 1.680 7.964 1.00 0.00 O ATOM 0 H GLU A 81 -10.424 3.880 4.607 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.651 1.723 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.644 2.196 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.889 0.645 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.590 1.969 6.942 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.901 3.120 6.774 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.127 2.322 1.932 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.122 1.851 0.553 1.00 0.00 C ATOM 1304 C ASP A 82 -10.168 0.668 0.425 1.00 0.00 C ATOM 1305 O ASP A 82 -9.489 0.303 1.380 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.700 2.966 -0.406 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.400 2.855 -1.753 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.251 1.809 -2.425 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.104 3.811 -2.147 1.00 0.00 O ATOM 0 H ASP A 82 -10.716 3.246 2.067 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.133 1.540 0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.926 3.934 0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.621 2.928 -0.554 1.00 0.00 H new ATOM 1314 N THR A 83 -10.090 0.075 -0.736 1.00 0.00 N ATOM 1315 CA THR A 83 -9.254 -1.087 -0.912 1.00 0.00 C ATOM 1316 C THR A 83 -8.391 -0.970 -2.173 1.00 0.00 C ATOM 1317 O THR A 83 -8.789 -0.362 -3.171 1.00 0.00 O ATOM 1318 CB THR A 83 -10.100 -2.375 -0.962 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.230 -2.233 -0.087 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.280 -3.565 -0.495 1.00 0.00 C ATOM 0 H THR A 83 -10.592 0.374 -1.572 1.00 0.00 H new ATOM 0 HA THR A 83 -8.589 -1.142 -0.050 1.00 0.00 H new ATOM 0 HB THR A 83 -10.427 -2.538 -1.989 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.772 -3.049 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.891 -4.467 -0.536 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.412 -3.685 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.948 -3.398 0.530 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.212 -1.565 -2.120 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.252 -1.519 -3.211 1.00 0.00 C ATOM 1330 C ILE A 84 -5.953 -2.942 -3.659 1.00 0.00 C ATOM 1331 O ILE A 84 -5.890 -3.852 -2.834 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.916 -0.813 -2.778 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -5.127 0.689 -2.541 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.808 -1.031 -3.796 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.822 1.018 -1.245 1.00 0.00 C ATOM 0 H ILE A 84 -6.891 -2.098 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.683 -0.941 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.609 -1.272 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.158 1.188 -2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.710 1.097 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.901 -0.528 -3.460 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.613 -2.099 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.114 -0.623 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.932 2.099 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.807 0.551 -1.231 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.231 0.643 -0.410 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.791 -3.145 -4.954 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.508 -4.474 -5.479 1.00 0.00 C ATOM 1349 C ASP A 85 -4.030 -4.718 -5.523 1.00 0.00 C ATOM 1350 O ASP A 85 -3.253 -3.860 -5.962 1.00 0.00 O ATOM 1351 CB ASP A 85 -6.067 -4.641 -6.875 1.00 0.00 C ATOM 1352 CG ASP A 85 -5.839 -6.030 -7.442 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -6.262 -7.012 -6.812 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.255 -6.141 -8.542 1.00 0.00 O ATOM 0 H ASP A 85 -5.850 -2.412 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.984 -5.194 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.137 -4.432 -6.860 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.608 -3.905 -7.535 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.635 -5.864 -5.066 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.264 -6.245 -5.082 1.00 0.00 C ATOM 1361 C VAL A 86 -2.072 -7.509 -5.871 1.00 0.00 C ATOM 1362 O VAL A 86 -2.844 -8.467 -5.763 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.694 -6.411 -3.651 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.488 -7.348 -3.629 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.301 -5.066 -3.109 1.00 0.00 C ATOM 0 H VAL A 86 -4.261 -6.564 -4.669 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.711 -5.440 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.471 -6.853 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.117 -7.439 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.784 -8.331 -3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.298 -6.944 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.900 -5.182 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.542 -4.622 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.176 -4.416 -3.078 1.00 0.00 H new ATOM 1375 N PHE A 87 -1.048 -7.509 -6.661 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.700 -8.645 -7.465 1.00 0.00 C ATOM 1377 C PHE A 87 0.784 -8.888 -7.371 1.00 0.00 C ATOM 1378 O PHE A 87 1.569 -7.943 -7.258 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.154 -8.454 -8.918 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.994 -7.052 -9.450 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.888 -6.054 -9.087 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.037 -6.734 -10.314 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.755 -4.774 -9.569 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.173 -5.452 -10.805 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.724 -4.470 -10.430 1.00 0.00 C ATOM 0 H PHE A 87 -0.420 -6.713 -6.771 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.220 -9.525 -7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.589 -9.136 -9.553 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.203 -8.740 -8.997 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.701 -6.287 -8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.743 -7.497 -10.608 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.457 -4.008 -9.273 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.980 -5.216 -11.482 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.617 -3.465 -10.812 1.00 0.00 H new ATOM 1395 N GLN A 88 1.184 -10.140 -7.389 1.00 0.00 N ATOM 1396 CA GLN A 88 2.583 -10.475 -7.250 1.00 0.00 C ATOM 1397 C GLN A 88 3.110 -11.018 -8.544 1.00 0.00 C ATOM 1398 O GLN A 88 2.669 -12.060 -9.012 1.00 0.00 O ATOM 1399 CB GLN A 88 2.807 -11.496 -6.131 1.00 0.00 C ATOM 1400 CG GLN A 88 1.805 -11.407 -4.987 1.00 0.00 C ATOM 1401 CD GLN A 88 2.277 -12.108 -3.726 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.473 -12.691 -2.995 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.563 -12.006 -3.428 1.00 0.00 N ATOM 0 H GLN A 88 0.562 -10.941 -7.498 1.00 0.00 H new ATOM 0 HA GLN A 88 3.121 -9.564 -6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.765 -12.498 -6.557 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.811 -11.362 -5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.612 -10.358 -4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.859 -11.844 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.196 -11.515 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 88 3.921 -12.418 -2.567 1.00 0.00 H new