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= 0.582 X(o=0.58,f=0.1) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.00174 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.145 X(o=-1.1,f=-0.83) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.962! X(o=-1.1!,f=-0.83) USER MOD Single : A 17 HIS :FLIP no HD1:sc= -0.0116 F(o=-1.1,f=-0.012) USER MOD Single : A 19 ASN : amide:sc= 0.575 K(o=0.57,f=-1.4) 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= -0.182 X(o=-0.18,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.024 (180deg=-0.222) 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= -2.25! USER MOD Single : A 41 SER OG : rot 180:sc=-0.000509 USER MOD Single : A 44 MET CE :methyl 175:sc= -0.0187 (180deg=-0.0288) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0397 (180deg=-0.256) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0225 USER MOD Single : A 48 CYS SG : rot 75:sc= 1.08 USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -107:sc= -1.12 (180deg=-2.83!) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) 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= 1.09 K(o=1.1,f=-0.4) USER MOD Single : A 78 MET CE :methyl 131:sc= -2.93! (180deg=-3.64!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -6.039 11.482 8.996 1.00 0.00 N ATOM 243 CA HIS A 17 -5.735 10.290 8.268 1.00 0.00 C ATOM 244 C HIS A 17 -6.958 9.415 8.119 1.00 0.00 C ATOM 245 O HIS A 17 -7.916 9.533 8.874 1.00 0.00 O ATOM 246 CB HIS A 17 -4.581 9.535 8.928 1.00 0.00 C ATOM 247 CG HIS A 17 -4.863 8.957 10.275 1.00 0.00 C ATOM 248 ND1 HIS A 17 -5.208 7.710 10.632 1.00 0.00 N flip ATOM 249 CD2 HIS A 17 -4.789 9.682 11.444 1.00 0.00 C flip ATOM 250 CE1 HIS A 17 -5.345 7.695 11.995 1.00 0.00 C flip ATOM 251 NE2 HIS A 17 -5.085 8.898 12.460 1.00 0.00 N flip ATOM 0 HA HIS A 17 -5.417 10.575 7.265 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.275 8.726 8.264 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.732 10.213 9.016 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.529 10.728 11.516 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.621 6.837 12.590 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.109 9.176 13.441 1.00 0.00 H new ATOM 260 N ILE A 18 -6.917 8.536 7.143 1.00 0.00 N ATOM 261 CA ILE A 18 -8.029 7.660 6.837 1.00 0.00 C ATOM 262 C ILE A 18 -7.605 6.204 6.892 1.00 0.00 C ATOM 263 O ILE A 18 -6.415 5.885 7.011 1.00 0.00 O ATOM 264 CB ILE A 18 -8.620 7.953 5.445 1.00 0.00 C ATOM 265 CG1 ILE A 18 -7.527 7.847 4.371 1.00 0.00 C ATOM 266 CG2 ILE A 18 -9.277 9.328 5.423 1.00 0.00 C ATOM 267 CD1 ILE A 18 -8.031 8.018 2.954 1.00 0.00 C ATOM 0 H ILE A 18 -6.108 8.407 6.535 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.792 7.849 7.592 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.387 7.210 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.766 8.602 4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.042 6.875 4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.689 9.519 4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.078 9.360 6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.534 10.090 5.660 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.197 7.929 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.770 7.247 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.490 9.001 2.847 1.00 0.00 H new ATOM 279 N ASN A 19 -8.573 5.327 6.829 1.00 0.00 N ATOM 280 CA ASN A 19 -8.339 3.906 6.856 1.00 0.00 C ATOM 281 C ASN A 19 -8.250 3.378 5.441 1.00 0.00 C ATOM 282 O ASN A 19 -8.948 3.842 4.558 1.00 0.00 O ATOM 283 CB ASN A 19 -9.478 3.204 7.593 1.00 0.00 C ATOM 284 CG ASN A 19 -9.681 3.729 8.998 1.00 0.00 C ATOM 285 OD1 ASN A 19 -9.139 3.188 9.963 1.00 0.00 O ATOM 286 ND2 ASN A 19 -10.455 4.796 9.122 1.00 0.00 N ATOM 0 H ASN A 19 -9.558 5.582 6.757 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.402 3.710 7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.401 3.328 7.027 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.272 2.135 7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.622 5.201 10.043 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.885 5.213 8.296 1.00 0.00 H new ATOM 293 N LEU A 20 -7.375 2.445 5.215 1.00 0.00 N ATOM 294 CA LEU A 20 -7.241 1.823 3.919 1.00 0.00 C ATOM 295 C LEU A 20 -7.170 0.324 4.048 1.00 0.00 C ATOM 296 O LEU A 20 -6.944 -0.217 5.137 1.00 0.00 O ATOM 297 CB LEU A 20 -6.007 2.341 3.172 1.00 0.00 C ATOM 298 CG LEU A 20 -6.251 3.470 2.163 1.00 0.00 C ATOM 299 CD1 LEU A 20 -7.407 3.123 1.233 1.00 0.00 C ATOM 300 CD2 LEU A 20 -6.502 4.789 2.864 1.00 0.00 C ATOM 0 H LEU A 20 -6.730 2.089 5.920 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.126 2.087 3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.282 2.690 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.549 1.504 2.645 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.349 3.580 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.562 3.938 0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.173 2.209 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.314 2.974 1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.671 5.569 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.380 4.700 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.635 5.049 3.472 1.00 0.00 H new ATOM 312 N LYS A 21 -7.385 -0.354 2.949 1.00 0.00 N ATOM 313 CA LYS A 21 -7.326 -1.789 2.904 1.00 0.00 C ATOM 314 C LYS A 21 -6.549 -2.231 1.698 1.00 0.00 C ATOM 315 O LYS A 21 -6.596 -1.597 0.649 1.00 0.00 O ATOM 316 CB LYS A 21 -8.725 -2.377 2.834 1.00 0.00 C ATOM 317 CG LYS A 21 -9.566 -2.101 4.052 1.00 0.00 C ATOM 318 CD LYS A 21 -11.023 -2.484 3.827 1.00 0.00 C ATOM 319 CE LYS A 21 -11.178 -3.971 3.558 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.593 -4.349 3.311 1.00 0.00 N ATOM 0 H LYS A 21 -7.608 0.081 2.054 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.834 -2.140 3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.233 -1.977 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.648 -3.455 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.170 -2.657 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.503 -1.043 4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.611 -2.209 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.422 -1.918 2.985 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.573 -4.248 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.796 -4.535 4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.653 -5.372 3.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.167 -4.109 4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.951 -3.831 2.483 1.00 0.00 H new ATOM 334 N VAL A 22 -5.840 -3.311 1.827 1.00 0.00 N ATOM 335 CA VAL A 22 -5.090 -3.854 0.712 1.00 0.00 C ATOM 336 C VAL A 22 -5.433 -5.304 0.515 1.00 0.00 C ATOM 337 O VAL A 22 -5.160 -6.149 1.375 1.00 0.00 O ATOM 338 CB VAL A 22 -3.558 -3.709 0.872 1.00 0.00 C ATOM 339 CG1 VAL A 22 -2.852 -4.395 -0.270 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.154 -2.250 0.916 1.00 0.00 C ATOM 0 H VAL A 22 -5.759 -3.843 2.693 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.378 -3.269 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.269 -4.178 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.774 -4.287 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.113 -5.453 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.158 -3.941 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.072 -2.175 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.457 -1.761 -0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.642 -1.763 1.760 1.00 0.00 H new ATOM 350 N ALA A 23 -6.051 -5.593 -0.599 1.00 0.00 N ATOM 351 CA ALA A 23 -6.425 -6.935 -0.928 1.00 0.00 C ATOM 352 C ALA A 23 -5.327 -7.578 -1.724 1.00 0.00 C ATOM 353 O ALA A 23 -4.829 -7.015 -2.697 1.00 0.00 O ATOM 354 CB ALA A 23 -7.729 -6.957 -1.701 1.00 0.00 C ATOM 0 H ALA A 23 -6.308 -4.901 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.576 -7.497 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.993 -7.987 -1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.518 -6.511 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.615 -6.388 -2.624 1.00 0.00 H new ATOM 360 N GLY A 24 -4.939 -8.747 -1.316 1.00 0.00 N ATOM 361 CA GLY A 24 -3.892 -9.432 -1.987 1.00 0.00 C ATOM 362 C GLY A 24 -4.442 -10.404 -2.988 1.00 0.00 C ATOM 363 O GLY A 24 -5.606 -10.793 -2.904 1.00 0.00 O ATOM 0 H GLY A 24 -5.337 -9.243 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.246 -8.713 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.275 -9.962 -1.261 1.00 0.00 H new ATOM 367 N GLN A 25 -3.615 -10.828 -3.922 1.00 0.00 N ATOM 368 CA GLN A 25 -4.033 -11.786 -4.948 1.00 0.00 C ATOM 369 C GLN A 25 -4.379 -13.141 -4.322 1.00 0.00 C ATOM 370 O GLN A 25 -4.956 -14.015 -4.961 1.00 0.00 O ATOM 371 CB GLN A 25 -2.942 -11.921 -6.021 1.00 0.00 C ATOM 372 CG GLN A 25 -1.572 -12.310 -5.478 1.00 0.00 C ATOM 373 CD GLN A 25 -1.422 -13.802 -5.233 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.989 -14.624 -5.949 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.674 -14.155 -4.214 1.00 0.00 N ATOM 0 H GLN A 25 -2.643 -10.528 -3.999 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.937 -11.413 -5.430 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.256 -12.668 -6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.853 -10.974 -6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.805 -11.986 -6.181 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.394 -11.776 -4.544 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.220 -13.442 -3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.547 -15.143 -3.993 1.00 0.00 H new ATOM 384 N ASP A 26 -4.021 -13.297 -3.054 1.00 0.00 N ATOM 385 CA ASP A 26 -4.317 -14.505 -2.300 1.00 0.00 C ATOM 386 C ASP A 26 -5.768 -14.483 -1.812 1.00 0.00 C ATOM 387 O ASP A 26 -6.326 -15.503 -1.414 1.00 0.00 O ATOM 388 CB ASP A 26 -3.354 -14.618 -1.110 1.00 0.00 C ATOM 389 CG ASP A 26 -3.672 -15.782 -0.196 1.00 0.00 C ATOM 390 OD1 ASP A 26 -3.501 -16.942 -0.617 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.104 -15.540 0.948 1.00 0.00 O ATOM 0 H ASP A 26 -3.517 -12.589 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.186 -15.372 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.336 -14.725 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.387 -13.693 -0.535 1.00 0.00 H new ATOM 396 N GLY A 27 -6.389 -13.311 -1.865 1.00 0.00 N ATOM 397 CA GLY A 27 -7.771 -13.180 -1.434 1.00 0.00 C ATOM 398 C GLY A 27 -7.898 -12.649 -0.020 1.00 0.00 C ATOM 399 O GLY A 27 -8.991 -12.593 0.541 1.00 0.00 O ATOM 0 H GLY A 27 -5.961 -12.447 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.298 -12.513 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.260 -14.152 -1.497 1.00 0.00 H new ATOM 403 N SER A 28 -6.785 -12.261 0.562 1.00 0.00 N ATOM 404 CA SER A 28 -6.775 -11.741 1.907 1.00 0.00 C ATOM 405 C SER A 28 -6.687 -10.244 1.862 1.00 0.00 C ATOM 406 O SER A 28 -6.174 -9.674 0.902 1.00 0.00 O ATOM 407 CB SER A 28 -5.599 -12.323 2.694 1.00 0.00 C ATOM 408 OG SER A 28 -5.572 -11.847 4.027 1.00 0.00 O ATOM 0 H SER A 28 -5.868 -12.297 0.118 1.00 0.00 H new ATOM 0 HA SER A 28 -7.697 -12.030 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.667 -13.411 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.665 -12.064 2.196 1.00 0.00 H new ATOM 0 HG SER A 28 -4.809 -12.241 4.500 1.00 0.00 H new ATOM 414 N VAL A 29 -7.176 -9.599 2.878 1.00 0.00 N ATOM 415 CA VAL A 29 -7.160 -8.161 2.906 1.00 0.00 C ATOM 416 C VAL A 29 -6.761 -7.634 4.277 1.00 0.00 C ATOM 417 O VAL A 29 -7.198 -8.144 5.312 1.00 0.00 O ATOM 418 CB VAL A 29 -8.529 -7.560 2.482 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.598 -7.803 3.544 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.398 -6.079 2.183 1.00 0.00 C ATOM 0 H VAL A 29 -7.591 -10.041 3.698 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.410 -7.843 2.182 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.844 -8.069 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.543 -7.370 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.724 -8.875 3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.292 -7.338 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.369 -5.680 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.047 -5.558 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.684 -5.933 1.372 1.00 0.00 H new ATOM 430 N VAL A 30 -5.907 -6.637 4.290 1.00 0.00 N ATOM 431 CA VAL A 30 -5.479 -6.020 5.526 1.00 0.00 C ATOM 432 C VAL A 30 -6.151 -4.657 5.702 1.00 0.00 C ATOM 433 O VAL A 30 -6.328 -3.912 4.736 1.00 0.00 O ATOM 434 CB VAL A 30 -3.932 -5.840 5.561 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.456 -4.925 4.443 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.480 -5.319 6.917 1.00 0.00 C ATOM 0 H VAL A 30 -5.491 -6.232 3.451 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.772 -6.680 6.342 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.479 -6.819 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.372 -4.820 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.733 -5.353 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.921 -3.945 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.396 -5.201 6.919 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.950 -4.355 7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.769 -6.027 7.694 1.00 0.00 H new ATOM 446 N GLN A 31 -6.557 -4.342 6.925 1.00 0.00 N ATOM 447 CA GLN A 31 -7.155 -3.058 7.227 1.00 0.00 C ATOM 448 C GLN A 31 -6.200 -2.255 8.097 1.00 0.00 C ATOM 449 O GLN A 31 -5.766 -2.713 9.158 1.00 0.00 O ATOM 450 CB GLN A 31 -8.479 -3.262 7.926 1.00 0.00 C ATOM 451 CG GLN A 31 -9.309 -4.358 7.285 1.00 0.00 C ATOM 452 CD GLN A 31 -10.692 -4.456 7.847 1.00 0.00 C ATOM 453 OE1 GLN A 31 -10.940 -5.187 8.806 1.00 0.00 O ATOM 454 NE2 GLN A 31 -11.600 -3.718 7.269 1.00 0.00 N ATOM 0 H GLN A 31 -6.480 -4.967 7.727 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.339 -2.507 6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.300 -3.510 8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.042 -2.329 7.912 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.372 -4.177 6.212 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.802 -5.314 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.348 -3.127 6.477 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.561 -3.732 7.610 1.00 0.00 H new ATOM 463 N PHE A 32 -5.874 -1.070 7.654 1.00 0.00 N ATOM 464 CA PHE A 32 -4.866 -0.239 8.304 1.00 0.00 C ATOM 465 C PHE A 32 -5.165 1.234 8.127 1.00 0.00 C ATOM 466 O PHE A 32 -6.042 1.612 7.372 1.00 0.00 O ATOM 467 CB PHE A 32 -3.472 -0.555 7.750 1.00 0.00 C ATOM 468 CG PHE A 32 -3.365 -0.397 6.256 1.00 0.00 C ATOM 469 CD1 PHE A 32 -3.992 -1.295 5.407 1.00 0.00 C ATOM 470 CD2 PHE A 32 -2.658 0.653 5.701 1.00 0.00 C ATOM 471 CE1 PHE A 32 -3.915 -1.151 4.048 1.00 0.00 C ATOM 472 CE2 PHE A 32 -2.579 0.802 4.341 1.00 0.00 C ATOM 473 CZ PHE A 32 -3.209 -0.100 3.511 1.00 0.00 C ATOM 0 H PHE A 32 -6.295 -0.642 6.830 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.890 -0.467 9.370 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.743 0.099 8.229 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.207 -1.578 8.018 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.550 -2.121 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.163 1.364 6.346 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.407 -1.861 3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.023 1.626 3.920 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.148 0.018 2.439 1.00 0.00 H new ATOM 483 N LYS A 33 -4.441 2.064 8.842 1.00 0.00 N ATOM 484 CA LYS A 33 -4.642 3.494 8.777 1.00 0.00 C ATOM 485 C LYS A 33 -3.430 4.189 8.162 1.00 0.00 C ATOM 486 O LYS A 33 -2.289 3.778 8.375 1.00 0.00 O ATOM 487 CB LYS A 33 -4.910 4.040 10.168 1.00 0.00 C ATOM 488 CG LYS A 33 -5.964 3.258 10.929 1.00 0.00 C ATOM 489 CD LYS A 33 -6.408 3.992 12.185 1.00 0.00 C ATOM 490 CE LYS A 33 -5.261 4.158 13.169 1.00 0.00 C ATOM 491 NZ LYS A 33 -4.713 2.852 13.614 1.00 0.00 N ATOM 0 H LYS A 33 -3.702 1.771 9.480 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.504 3.693 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.981 4.033 10.738 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.227 5.080 10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.826 3.085 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.567 2.280 11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.802 4.972 11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.220 3.442 12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.468 4.744 12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.607 4.720 14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.107 2.995 14.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.496 2.213 13.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.152 2.431 12.846 1.00 0.00 H new ATOM 505 N ILE A 34 -3.678 5.231 7.379 1.00 0.00 N ATOM 506 CA ILE A 34 -2.604 6.005 6.770 1.00 0.00 C ATOM 507 C ILE A 34 -3.027 7.465 6.607 1.00 0.00 C ATOM 508 O ILE A 34 -4.198 7.766 6.338 1.00 0.00 O ATOM 509 CB ILE A 34 -2.162 5.413 5.398 1.00 0.00 C ATOM 510 CG1 ILE A 34 -1.026 6.249 4.787 1.00 0.00 C ATOM 511 CG2 ILE A 34 -3.344 5.331 4.440 1.00 0.00 C ATOM 512 CD1 ILE A 34 -0.437 5.664 3.523 1.00 0.00 C ATOM 0 H ILE A 34 -4.616 5.560 7.150 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.745 5.953 7.439 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.790 4.403 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.402 7.249 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.233 6.360 5.527 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.013 4.915 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.115 4.690 4.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.751 6.329 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.357 6.314 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.028 4.676 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.215 5.579 2.764 1.00 0.00 H new ATOM 524 N LYS A 35 -2.090 8.382 6.799 1.00 0.00 N ATOM 525 CA LYS A 35 -2.385 9.797 6.711 1.00 0.00 C ATOM 526 C LYS A 35 -2.447 10.266 5.284 1.00 0.00 C ATOM 527 O LYS A 35 -1.847 9.679 4.394 1.00 0.00 O ATOM 528 CB LYS A 35 -1.379 10.624 7.495 1.00 0.00 C ATOM 529 CG LYS A 35 -1.103 10.080 8.885 1.00 0.00 C ATOM 530 CD LYS A 35 -0.757 11.190 9.870 1.00 0.00 C ATOM 531 CE LYS A 35 0.492 11.948 9.450 1.00 0.00 C ATOM 532 NZ LYS A 35 0.794 13.067 10.376 1.00 0.00 N ATOM 0 H LYS A 35 -1.117 8.166 7.017 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.369 9.942 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.443 10.668 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.748 11.646 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.978 9.537 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.281 9.366 8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.595 11.883 9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.607 10.763 10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.340 11.263 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.359 12.337 8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.652 13.560 10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.004 13.734 10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.946 12.693 11.334 1.00 0.00 H new ATOM 546 N ARG A 36 -3.175 11.344 5.073 1.00 0.00 N ATOM 547 CA ARG A 36 -3.355 11.910 3.747 1.00 0.00 C ATOM 548 C ARG A 36 -2.033 12.422 3.199 1.00 0.00 C ATOM 549 O ARG A 36 -1.750 12.300 2.013 1.00 0.00 O ATOM 550 CB ARG A 36 -4.374 13.052 3.790 1.00 0.00 C ATOM 551 CG ARG A 36 -5.658 12.722 4.544 1.00 0.00 C ATOM 552 CD ARG A 36 -6.251 11.386 4.117 1.00 0.00 C ATOM 553 NE ARG A 36 -6.470 11.300 2.661 1.00 0.00 N ATOM 554 CZ ARG A 36 -7.355 12.041 1.961 1.00 0.00 C ATOM 555 NH1 ARG A 36 -8.135 12.931 2.573 1.00 0.00 N ATOM 556 NH2 ARG A 36 -7.452 11.880 0.645 1.00 0.00 N ATOM 0 H ARG A 36 -3.659 11.853 5.813 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.727 11.124 3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.908 13.921 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.629 13.334 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.453 12.701 5.614 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.389 13.512 4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.585 10.581 4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.199 11.232 4.633 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.907 10.626 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.068 13.059 3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.799 13.484 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.860 11.199 0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.119 12.437 0.111 1.00 0.00 H new ATOM 570 N HIS A 37 -1.212 12.975 4.077 1.00 0.00 N ATOM 571 CA HIS A 37 0.079 13.526 3.679 1.00 0.00 C ATOM 572 C HIS A 37 1.177 12.489 3.833 1.00 0.00 C ATOM 573 O HIS A 37 2.356 12.775 3.646 1.00 0.00 O ATOM 574 CB HIS A 37 0.413 14.770 4.509 1.00 0.00 C ATOM 575 CG HIS A 37 -0.509 15.925 4.269 1.00 0.00 C ATOM 576 ND1 HIS A 37 -0.265 16.899 3.327 1.00 0.00 N ATOM 577 CD2 HIS A 37 -1.684 16.258 4.852 1.00 0.00 C ATOM 578 CE1 HIS A 37 -1.247 17.780 3.343 1.00 0.00 C ATOM 579 NE2 HIS A 37 -2.118 17.412 4.259 1.00 0.00 N ATOM 0 H HIS A 37 -1.415 13.056 5.073 1.00 0.00 H new ATOM 0 HA HIS A 37 0.014 13.811 2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 37 0.383 14.508 5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 37 1.434 15.080 4.286 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.186 15.714 5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.323 18.654 2.713 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.979 17.908 4.490 1.00 0.00 H new ATOM 588 N THR A 38 0.791 11.291 4.183 1.00 0.00 N ATOM 589 CA THR A 38 1.726 10.214 4.366 1.00 0.00 C ATOM 590 C THR A 38 1.873 9.396 3.086 1.00 0.00 C ATOM 591 O THR A 38 0.881 8.987 2.486 1.00 0.00 O ATOM 592 CB THR A 38 1.303 9.310 5.541 1.00 0.00 C ATOM 593 OG1 THR A 38 1.475 10.021 6.773 1.00 0.00 O ATOM 594 CG2 THR A 38 2.123 8.034 5.571 1.00 0.00 C ATOM 0 H THR A 38 -0.182 11.034 4.349 1.00 0.00 H new ATOM 0 HA THR A 38 2.696 10.651 4.605 1.00 0.00 H new ATOM 0 HB THR A 38 0.255 9.039 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.519 9.383 7.516 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.803 7.416 6.410 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.978 7.486 4.640 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.178 8.282 5.685 1.00 0.00 H new ATOM 602 N PRO A 39 3.118 9.166 2.649 1.00 0.00 N ATOM 603 CA PRO A 39 3.405 8.414 1.427 1.00 0.00 C ATOM 604 C PRO A 39 2.980 6.949 1.518 1.00 0.00 C ATOM 605 O PRO A 39 2.954 6.346 2.601 1.00 0.00 O ATOM 606 CB PRO A 39 4.928 8.512 1.289 1.00 0.00 C ATOM 607 CG PRO A 39 5.420 8.816 2.659 1.00 0.00 C ATOM 608 CD PRO A 39 4.347 9.630 3.312 1.00 0.00 C ATOM 0 HA PRO A 39 2.856 8.817 0.576 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.351 7.580 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.211 9.295 0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.609 7.899 3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.360 9.367 2.623 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.312 9.460 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.506 10.698 3.163 1.00 0.00 H new ATOM 616 N LEU A 40 2.652 6.375 0.369 1.00 0.00 N ATOM 617 CA LEU A 40 2.242 4.981 0.253 1.00 0.00 C ATOM 618 C LEU A 40 3.372 4.024 0.612 1.00 0.00 C ATOM 619 O LEU A 40 3.155 2.824 0.749 1.00 0.00 O ATOM 620 CB LEU A 40 1.741 4.701 -1.162 1.00 0.00 C ATOM 621 CG LEU A 40 0.438 5.391 -1.545 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.206 5.303 -3.035 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.731 4.792 -0.794 1.00 0.00 C ATOM 0 H LEU A 40 2.663 6.871 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 40 1.434 4.812 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.514 5.004 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.609 3.625 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 40 0.520 6.442 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.730 5.802 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.029 5.787 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.151 4.256 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.650 5.301 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.813 3.732 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.574 4.911 0.278 1.00 0.00 H new ATOM 635 N SER A 41 4.584 4.551 0.729 1.00 0.00 N ATOM 636 CA SER A 41 5.749 3.757 1.098 1.00 0.00 C ATOM 637 C SER A 41 5.480 2.939 2.365 1.00 0.00 C ATOM 638 O SER A 41 5.762 1.735 2.421 1.00 0.00 O ATOM 639 CB SER A 41 6.951 4.677 1.302 1.00 0.00 C ATOM 640 OG SER A 41 6.624 5.753 2.170 1.00 0.00 O ATOM 0 H SER A 41 4.787 5.538 0.571 1.00 0.00 H new ATOM 0 HA SER A 41 5.964 3.057 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.783 4.109 1.718 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.282 5.068 0.340 1.00 0.00 H new ATOM 0 HG SER A 41 7.409 6.328 2.288 1.00 0.00 H new ATOM 672 N LEU A 43 2.530 2.272 3.523 1.00 0.00 N ATOM 673 CA LEU A 43 1.389 1.419 3.199 1.00 0.00 C ATOM 674 C LEU A 43 1.865 0.115 2.564 1.00 0.00 C ATOM 675 O LEU A 43 1.447 -0.977 2.963 1.00 0.00 O ATOM 676 CB LEU A 43 0.412 2.183 2.268 1.00 0.00 C ATOM 677 CG LEU A 43 -0.705 1.363 1.593 1.00 0.00 C ATOM 678 CD1 LEU A 43 -1.897 2.250 1.279 1.00 0.00 C ATOM 679 CD2 LEU A 43 -0.199 0.739 0.304 1.00 0.00 C ATOM 0 HA LEU A 43 0.856 1.163 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.056 2.977 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.998 2.664 1.485 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.010 0.576 2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.677 1.656 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.283 2.682 2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.588 3.050 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.000 0.163 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.125 1.525 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.641 0.080 0.524 1.00 0.00 H new ATOM 691 N MET A 44 2.750 0.233 1.579 1.00 0.00 N ATOM 692 CA MET A 44 3.309 -0.930 0.901 1.00 0.00 C ATOM 693 C MET A 44 4.078 -1.797 1.875 1.00 0.00 C ATOM 694 O MET A 44 4.012 -3.026 1.824 1.00 0.00 O ATOM 695 CB MET A 44 4.220 -0.496 -0.250 1.00 0.00 C ATOM 696 CG MET A 44 3.481 -0.167 -1.534 1.00 0.00 C ATOM 697 SD MET A 44 4.510 0.695 -2.729 1.00 0.00 S ATOM 698 CE MET A 44 3.295 1.115 -3.970 1.00 0.00 C ATOM 0 H MET A 44 3.096 1.127 1.232 1.00 0.00 H new ATOM 0 HA MET A 44 2.484 -1.513 0.492 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.791 0.378 0.062 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.938 -1.291 -0.450 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.109 -1.089 -1.980 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.611 0.447 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.759 1.732 -4.739 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.906 0.203 -4.422 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.477 1.667 -3.506 1.00 0.00 H new ATOM 708 N LYS A 45 4.807 -1.159 2.776 1.00 0.00 N ATOM 709 CA LYS A 45 5.570 -1.879 3.771 1.00 0.00 C ATOM 710 C LYS A 45 4.641 -2.538 4.792 1.00 0.00 C ATOM 711 O LYS A 45 4.843 -3.679 5.165 1.00 0.00 O ATOM 712 CB LYS A 45 6.581 -0.947 4.462 1.00 0.00 C ATOM 713 CG LYS A 45 7.421 -1.618 5.550 1.00 0.00 C ATOM 714 CD LYS A 45 8.204 -2.819 5.022 1.00 0.00 C ATOM 715 CE LYS A 45 9.343 -2.400 4.096 1.00 0.00 C ATOM 716 NZ LYS A 45 10.374 -1.600 4.801 1.00 0.00 N ATOM 0 H LYS A 45 4.884 -0.144 2.835 1.00 0.00 H new ATOM 0 HA LYS A 45 6.130 -2.668 3.269 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.250 -0.534 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.041 -0.109 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.116 -0.890 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.769 -1.941 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.609 -3.384 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.528 -3.485 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.806 -3.289 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.939 -1.819 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.241 -1.568 4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.021 -0.633 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.584 -2.038 5.721 1.00 0.00 H new ATOM 730 N ALA A 46 3.593 -1.821 5.198 1.00 0.00 N ATOM 731 CA ALA A 46 2.637 -2.330 6.186 1.00 0.00 C ATOM 732 C ALA A 46 2.035 -3.651 5.729 1.00 0.00 C ATOM 733 O ALA A 46 2.043 -4.645 6.461 1.00 0.00 O ATOM 734 CB ALA A 46 1.535 -1.309 6.439 1.00 0.00 C ATOM 0 H ALA A 46 3.383 -0.883 4.858 1.00 0.00 H new ATOM 0 HA ALA A 46 3.175 -2.502 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.835 -1.704 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.974 -0.385 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.006 -1.106 5.508 1.00 0.00 H new ATOM 740 N TYR A 47 1.521 -3.672 4.509 1.00 0.00 N ATOM 741 CA TYR A 47 0.947 -4.877 3.947 1.00 0.00 C ATOM 742 C TYR A 47 2.014 -5.969 3.793 1.00 0.00 C ATOM 743 O TYR A 47 1.748 -7.162 4.019 1.00 0.00 O ATOM 744 CB TYR A 47 0.281 -4.567 2.605 1.00 0.00 C ATOM 745 CG TYR A 47 -0.069 -5.789 1.795 1.00 0.00 C ATOM 746 CD1 TYR A 47 -1.264 -6.457 1.995 1.00 0.00 C ATOM 747 CD2 TYR A 47 0.797 -6.268 0.826 1.00 0.00 C ATOM 748 CE1 TYR A 47 -1.591 -7.568 1.251 1.00 0.00 C ATOM 749 CE2 TYR A 47 0.482 -7.379 0.080 1.00 0.00 C ATOM 750 CZ TYR A 47 -0.714 -8.027 0.295 1.00 0.00 C ATOM 751 OH TYR A 47 -1.036 -9.133 -0.447 1.00 0.00 O ATOM 0 H TYR A 47 1.491 -2.862 3.889 1.00 0.00 H new ATOM 0 HA TYR A 47 0.185 -5.252 4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.627 -3.992 2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.947 -3.934 2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.952 -6.101 2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.735 -5.761 0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.530 -8.076 1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.169 -7.742 -0.671 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.312 -9.326 -1.078 1.00 0.00 H new ATOM 761 N CYS A 48 3.226 -5.558 3.431 1.00 0.00 N ATOM 762 CA CYS A 48 4.347 -6.483 3.262 1.00 0.00 C ATOM 763 C CYS A 48 4.719 -7.133 4.592 1.00 0.00 C ATOM 764 O CYS A 48 5.103 -8.300 4.644 1.00 0.00 O ATOM 765 CB CYS A 48 5.552 -5.740 2.652 1.00 0.00 C ATOM 766 SG CYS A 48 7.181 -6.394 3.092 1.00 0.00 S ATOM 0 H CYS A 48 3.460 -4.582 3.247 1.00 0.00 H new ATOM 0 HA CYS A 48 4.048 -7.278 2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.455 -5.758 1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.505 -4.695 2.959 1.00 0.00 H new ATOM 0 HG CYS A 48 7.396 -7.498 2.441 1.00 0.00 H new ATOM 772 N GLU A 49 4.585 -6.386 5.664 1.00 0.00 N ATOM 773 CA GLU A 49 4.894 -6.886 6.996 1.00 0.00 C ATOM 774 C GLU A 49 3.835 -7.872 7.456 1.00 0.00 C ATOM 775 O GLU A 49 4.141 -8.920 8.018 1.00 0.00 O ATOM 776 CB GLU A 49 4.997 -5.725 7.971 1.00 0.00 C ATOM 777 CG GLU A 49 6.084 -4.736 7.604 1.00 0.00 C ATOM 778 CD GLU A 49 7.475 -5.253 7.888 1.00 0.00 C ATOM 779 OE1 GLU A 49 7.975 -6.109 7.115 1.00 0.00 O ATOM 780 OE2 GLU A 49 8.079 -4.810 8.886 1.00 0.00 O ATOM 0 H GLU A 49 4.261 -5.419 5.644 1.00 0.00 H new ATOM 0 HA GLU A 49 5.851 -7.407 6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.040 -5.205 8.011 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.190 -6.114 8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.003 -4.492 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.927 -3.810 8.157 1.00 0.00 H new ATOM 787 N ARG A 50 2.582 -7.540 7.191 1.00 0.00 N ATOM 788 CA ARG A 50 1.455 -8.385 7.574 1.00 0.00 C ATOM 789 C ARG A 50 1.507 -9.732 6.873 1.00 0.00 C ATOM 790 O ARG A 50 1.451 -10.777 7.506 1.00 0.00 O ATOM 791 CB ARG A 50 0.143 -7.691 7.236 1.00 0.00 C ATOM 792 CG ARG A 50 -0.081 -6.401 7.989 1.00 0.00 C ATOM 793 CD ARG A 50 -0.336 -6.653 9.461 1.00 0.00 C ATOM 794 NE ARG A 50 -1.559 -7.435 9.683 1.00 0.00 N ATOM 795 CZ ARG A 50 -2.667 -6.967 10.272 1.00 0.00 C ATOM 796 NH1 ARG A 50 -2.718 -5.710 10.704 1.00 0.00 N ATOM 797 NH2 ARG A 50 -3.724 -7.759 10.431 1.00 0.00 N ATOM 0 H ARG A 50 2.315 -6.683 6.707 1.00 0.00 H new ATOM 0 HA ARG A 50 1.518 -8.553 8.649 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.118 -7.484 6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.681 -8.372 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.790 -5.756 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.929 -5.870 7.558 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.515 -7.182 9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.416 -5.700 9.983 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.565 -8.404 9.366 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.911 -5.097 10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.564 -5.359 11.152 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.692 -8.725 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.567 -7.401 10.880 1.00 0.00 H new ATOM 811 N GLN A 51 1.628 -9.707 5.561 1.00 0.00 N ATOM 812 CA GLN A 51 1.634 -10.936 4.773 1.00 0.00 C ATOM 813 C GLN A 51 2.996 -11.626 4.803 1.00 0.00 C ATOM 814 O GLN A 51 3.104 -12.825 4.537 1.00 0.00 O ATOM 815 CB GLN A 51 1.201 -10.662 3.329 1.00 0.00 C ATOM 816 CG GLN A 51 -0.284 -10.924 3.056 1.00 0.00 C ATOM 817 CD GLN A 51 -1.231 -10.052 3.876 1.00 0.00 C ATOM 818 OE1 GLN A 51 -0.829 -8.826 4.166 1.00 0.00 O flip ATOM 819 NE2 GLN A 51 -2.331 -10.477 4.225 1.00 0.00 N flip ATOM 0 H GLN A 51 1.724 -8.852 5.013 1.00 0.00 H new ATOM 0 HA GLN A 51 0.913 -11.614 5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 51 1.426 -9.624 3.085 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.797 -11.282 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.482 -10.760 1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.501 -11.972 3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.610 -11.428 3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.964 -9.878 4.755 1.00 0.00 H new ATOM 828 N GLY A 52 4.038 -10.874 5.115 1.00 0.00 N ATOM 829 CA GLY A 52 5.374 -11.445 5.195 1.00 0.00 C ATOM 830 C GLY A 52 6.053 -11.549 3.845 1.00 0.00 C ATOM 831 O GLY A 52 7.163 -12.063 3.737 1.00 0.00 O ATOM 0 H GLY A 52 3.987 -9.875 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.986 -10.833 5.858 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.313 -12.437 5.643 1.00 0.00 H new ATOM 835 N LEU A 53 5.388 -11.068 2.810 1.00 0.00 N ATOM 836 CA LEU A 53 5.933 -11.105 1.465 1.00 0.00 C ATOM 837 C LEU A 53 6.848 -9.911 1.207 1.00 0.00 C ATOM 838 O LEU A 53 6.986 -9.032 2.046 1.00 0.00 O ATOM 839 CB LEU A 53 4.797 -11.175 0.423 1.00 0.00 C ATOM 840 CG LEU A 53 3.640 -10.168 0.590 1.00 0.00 C ATOM 841 CD1 LEU A 53 4.078 -8.756 0.243 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.450 -10.583 -0.260 1.00 0.00 C ATOM 0 H LEU A 53 4.463 -10.644 2.877 1.00 0.00 H new ATOM 0 HA LEU A 53 6.538 -12.006 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.233 -11.031 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.378 -12.181 0.444 1.00 0.00 H new ATOM 0 HG LEU A 53 3.341 -10.173 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.239 -8.073 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.894 -8.456 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.416 -8.724 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.642 -9.863 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.745 -10.614 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.108 -11.571 0.050 1.00 0.00 H new ATOM 854 N SER A 54 7.466 -9.881 0.047 1.00 0.00 N ATOM 855 CA SER A 54 8.367 -8.810 -0.320 1.00 0.00 C ATOM 856 C SER A 54 7.645 -7.771 -1.180 1.00 0.00 C ATOM 857 O SER A 54 7.041 -8.108 -2.197 1.00 0.00 O ATOM 858 CB SER A 54 9.558 -9.387 -1.081 1.00 0.00 C ATOM 859 OG SER A 54 10.266 -10.318 -0.283 1.00 0.00 O ATOM 0 H SER A 54 7.358 -10.599 -0.669 1.00 0.00 H new ATOM 0 HA SER A 54 8.720 -8.317 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.211 -9.874 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.226 -8.581 -1.385 1.00 0.00 H new ATOM 0 HG SER A 54 11.023 -10.676 -0.792 1.00 0.00 H new ATOM 865 N MET A 55 7.717 -6.499 -0.777 1.00 0.00 N ATOM 866 CA MET A 55 7.059 -5.408 -1.518 1.00 0.00 C ATOM 867 C MET A 55 7.591 -5.284 -2.947 1.00 0.00 C ATOM 868 O MET A 55 6.904 -4.804 -3.837 1.00 0.00 O ATOM 869 CB MET A 55 7.206 -4.059 -0.790 1.00 0.00 C ATOM 870 CG MET A 55 8.644 -3.665 -0.467 1.00 0.00 C ATOM 871 SD MET A 55 8.888 -1.877 -0.407 1.00 0.00 S ATOM 872 CE MET A 55 7.629 -1.390 0.765 1.00 0.00 C ATOM 0 H MET A 55 8.222 -6.195 0.056 1.00 0.00 H new ATOM 0 HA MET A 55 6.001 -5.666 -1.567 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.759 -3.278 -1.405 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.637 -4.098 0.139 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.927 -4.097 0.493 1.00 0.00 H new ATOM 0 HG3 MET A 55 9.309 -4.092 -1.217 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.815 -0.892 0.238 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.245 -2.274 1.274 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.059 -0.707 1.498 1.00 0.00 H new ATOM 882 N ARG A 56 8.815 -5.732 -3.167 1.00 0.00 N ATOM 883 CA ARG A 56 9.435 -5.659 -4.487 1.00 0.00 C ATOM 884 C ARG A 56 8.922 -6.773 -5.399 1.00 0.00 C ATOM 885 O ARG A 56 9.164 -6.773 -6.600 1.00 0.00 O ATOM 886 CB ARG A 56 10.950 -5.753 -4.351 1.00 0.00 C ATOM 887 CG ARG A 56 11.434 -7.069 -3.781 1.00 0.00 C ATOM 888 CD ARG A 56 12.890 -6.995 -3.392 1.00 0.00 C ATOM 889 NE ARG A 56 13.114 -6.062 -2.284 1.00 0.00 N ATOM 890 CZ ARG A 56 13.904 -6.312 -1.235 1.00 0.00 C ATOM 891 NH1 ARG A 56 14.555 -7.472 -1.150 1.00 0.00 N ATOM 892 NH2 ARG A 56 14.041 -5.404 -0.271 1.00 0.00 N ATOM 0 H ARG A 56 9.404 -6.152 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 56 9.169 -4.703 -4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.403 -5.604 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.299 -4.941 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.835 -7.332 -2.909 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.292 -7.861 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 56 13.240 -7.987 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.480 -6.683 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 56 12.635 -5.162 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.451 -8.170 -1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 56 15.157 -7.661 -0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.543 -4.516 -0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.644 -5.596 0.529 1.00 0.00 H new ATOM 906 N GLN A 57 8.218 -7.729 -4.817 1.00 0.00 N ATOM 907 CA GLN A 57 7.688 -8.861 -5.566 1.00 0.00 C ATOM 908 C GLN A 57 6.213 -8.666 -5.856 1.00 0.00 C ATOM 909 O GLN A 57 5.547 -9.549 -6.395 1.00 0.00 O ATOM 910 CB GLN A 57 7.887 -10.144 -4.766 1.00 0.00 C ATOM 911 CG GLN A 57 9.331 -10.407 -4.386 1.00 0.00 C ATOM 912 CD GLN A 57 10.198 -10.778 -5.569 1.00 0.00 C ATOM 913 OE1 GLN A 57 10.757 -9.781 -6.222 1.00 0.00 O flip ATOM 914 NE2 GLN A 57 10.350 -11.953 -5.900 1.00 0.00 N flip ATOM 0 H GLN A 57 7.998 -7.745 -3.821 1.00 0.00 H new ATOM 0 HA GLN A 57 8.223 -8.933 -6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.285 -10.093 -3.859 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.515 -10.987 -5.349 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.742 -9.519 -3.907 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.366 -11.211 -3.651 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.899 -12.696 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.927 -12.185 -6.708 1.00 0.00 H new ATOM 923 N ILE A 58 5.696 -7.504 -5.507 1.00 0.00 N ATOM 924 CA ILE A 58 4.288 -7.226 -5.684 1.00 0.00 C ATOM 925 C ILE A 58 4.075 -5.846 -6.278 1.00 0.00 C ATOM 926 O ILE A 58 5.026 -5.092 -6.495 1.00 0.00 O ATOM 927 CB ILE A 58 3.512 -7.324 -4.351 1.00 0.00 C ATOM 928 CG1 ILE A 58 4.147 -6.432 -3.302 1.00 0.00 C ATOM 929 CG2 ILE A 58 3.475 -8.754 -3.863 1.00 0.00 C ATOM 930 CD1 ILE A 58 3.308 -6.271 -2.057 1.00 0.00 C ATOM 0 H ILE A 58 6.232 -6.738 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 58 3.905 -7.982 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 58 2.490 -6.988 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.117 -6.845 -3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.331 -5.449 -3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.925 -8.804 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.981 -9.379 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.493 -9.112 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.825 -5.620 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.347 -5.830 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.146 -7.247 -1.599 1.00 0.00 H new ATOM 942 N ARG A 59 2.826 -5.515 -6.533 1.00 0.00 N ATOM 943 CA ARG A 59 2.454 -4.236 -7.095 1.00 0.00 C ATOM 944 C ARG A 59 1.103 -3.803 -6.574 1.00 0.00 C ATOM 945 O ARG A 59 0.231 -4.644 -6.307 1.00 0.00 O ATOM 946 CB ARG A 59 2.444 -4.304 -8.621 1.00 0.00 C ATOM 947 CG ARG A 59 3.819 -4.204 -9.243 1.00 0.00 C ATOM 948 CD ARG A 59 4.358 -2.794 -9.118 1.00 0.00 C ATOM 949 NE ARG A 59 3.691 -1.885 -10.040 1.00 0.00 N ATOM 950 CZ ARG A 59 3.529 -0.584 -9.835 1.00 0.00 C ATOM 951 NH1 ARG A 59 3.929 -0.023 -8.698 1.00 0.00 N ATOM 952 NH2 ARG A 59 2.951 0.158 -10.762 1.00 0.00 N ATOM 0 H ARG A 59 2.034 -6.133 -6.354 1.00 0.00 H new ATOM 0 HA ARG A 59 3.194 -3.496 -6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.982 -5.241 -8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.820 -3.498 -9.008 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.497 -4.903 -8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.771 -4.489 -10.294 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.223 -2.441 -8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.430 -2.794 -9.317 1.00 0.00 H new ATOM 0 HE ARG A 59 3.322 -2.277 -10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.365 -0.594 -7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.800 0.978 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.631 -0.269 -11.631 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.824 1.158 -10.609 1.00 0.00 H new ATOM 966 N PHE A 60 0.923 -2.493 -6.421 1.00 0.00 N ATOM 967 CA PHE A 60 -0.322 -1.938 -5.891 1.00 0.00 C ATOM 968 C PHE A 60 -1.057 -1.123 -6.948 1.00 0.00 C ATOM 969 O PHE A 60 -0.481 -0.220 -7.582 1.00 0.00 O ATOM 970 CB PHE A 60 -0.057 -1.052 -4.649 1.00 0.00 C ATOM 971 CG PHE A 60 0.442 -1.788 -3.437 1.00 0.00 C ATOM 972 CD1 PHE A 60 1.692 -2.382 -3.430 1.00 0.00 C ATOM 973 CD2 PHE A 60 -0.333 -1.861 -2.295 1.00 0.00 C ATOM 974 CE1 PHE A 60 2.154 -3.037 -2.308 1.00 0.00 C ATOM 975 CE2 PHE A 60 0.128 -2.520 -1.171 1.00 0.00 C ATOM 976 CZ PHE A 60 1.370 -3.108 -1.179 1.00 0.00 C ATOM 0 H PHE A 60 1.626 -1.793 -6.657 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.948 -2.781 -5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.672 -0.287 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.980 -0.535 -4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.312 -2.332 -4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.309 -1.398 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.132 -3.495 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.488 -2.573 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.730 -3.625 -0.302 1.00 0.00 H new ATOM 986 N ARG A 61 -2.327 -1.432 -7.144 1.00 0.00 N ATOM 987 CA ARG A 61 -3.150 -0.704 -8.095 1.00 0.00 C ATOM 988 C ARG A 61 -4.478 -0.314 -7.469 1.00 0.00 C ATOM 989 O ARG A 61 -5.113 -1.104 -6.761 1.00 0.00 O ATOM 990 CB ARG A 61 -3.357 -1.512 -9.390 1.00 0.00 C ATOM 991 CG ARG A 61 -4.115 -2.811 -9.217 1.00 0.00 C ATOM 992 CD ARG A 61 -5.500 -2.779 -9.838 1.00 0.00 C ATOM 993 NE ARG A 61 -6.102 -4.117 -9.827 1.00 0.00 N ATOM 994 CZ ARG A 61 -7.104 -4.521 -10.604 1.00 0.00 C ATOM 995 NH1 ARG A 61 -7.609 -3.718 -11.529 1.00 0.00 N ATOM 996 NH2 ARG A 61 -7.580 -5.753 -10.461 1.00 0.00 N ATOM 0 H ARG A 61 -2.812 -2.185 -6.656 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.623 0.212 -8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.891 -0.889 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.381 -1.733 -9.823 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.541 -3.622 -9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.205 -3.034 -8.154 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.135 -2.084 -9.288 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.437 -2.411 -10.862 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.720 -4.795 -9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.230 -2.779 -11.651 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.377 -4.039 -12.119 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.178 -6.377 -9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.348 -6.075 -11.050 1.00 0.00 H new ATOM 1010 N PHE A 62 -4.890 0.903 -7.712 1.00 0.00 N ATOM 1011 CA PHE A 62 -6.113 1.432 -7.164 1.00 0.00 C ATOM 1012 C PHE A 62 -6.867 2.178 -8.239 1.00 0.00 C ATOM 1013 O PHE A 62 -6.278 2.941 -8.981 1.00 0.00 O ATOM 1014 CB PHE A 62 -5.793 2.373 -5.997 1.00 0.00 C ATOM 1015 CG PHE A 62 -6.986 3.085 -5.428 1.00 0.00 C ATOM 1016 CD1 PHE A 62 -7.768 2.486 -4.463 1.00 0.00 C ATOM 1017 CD2 PHE A 62 -7.320 4.360 -5.860 1.00 0.00 C ATOM 1018 CE1 PHE A 62 -8.860 3.140 -3.937 1.00 0.00 C ATOM 1019 CE2 PHE A 62 -8.412 5.018 -5.338 1.00 0.00 C ATOM 1020 CZ PHE A 62 -9.183 4.405 -4.375 1.00 0.00 C ATOM 0 H PHE A 62 -4.381 1.562 -8.302 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.731 0.612 -6.798 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.316 1.798 -5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.069 3.115 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.522 1.493 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.717 4.843 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -9.463 2.660 -3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.663 6.010 -5.682 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.041 4.916 -3.964 1.00 0.00 H new ATOM 1030 N ASP A 63 -8.170 1.948 -8.333 1.00 0.00 N ATOM 1031 CA ASP A 63 -9.022 2.627 -9.327 1.00 0.00 C ATOM 1032 C ASP A 63 -8.556 2.316 -10.729 1.00 0.00 C ATOM 1033 O ASP A 63 -8.753 3.102 -11.656 1.00 0.00 O ATOM 1034 CB ASP A 63 -8.985 4.138 -9.123 1.00 0.00 C ATOM 1035 CG ASP A 63 -10.184 4.847 -9.734 1.00 0.00 C ATOM 1036 OD1 ASP A 63 -11.332 4.443 -9.441 1.00 0.00 O ATOM 1037 OD2 ASP A 63 -9.986 5.817 -10.490 1.00 0.00 O ATOM 0 H ASP A 63 -8.672 1.293 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.041 2.264 -9.192 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.946 4.355 -8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.071 4.537 -9.562 1.00 0.00 H new ATOM 1042 N GLY A 64 -7.957 1.164 -10.910 1.00 0.00 N ATOM 1043 CA GLY A 64 -7.443 0.828 -12.205 1.00 0.00 C ATOM 1044 C GLY A 64 -6.104 1.480 -12.505 1.00 0.00 C ATOM 1045 O GLY A 64 -5.494 1.212 -13.539 1.00 0.00 O ATOM 0 H GLY A 64 -7.817 0.458 -10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.337 -0.254 -12.277 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.165 1.129 -12.964 1.00 0.00 H new ATOM 1049 N GLN A 65 -5.625 2.328 -11.611 1.00 0.00 N ATOM 1050 CA GLN A 65 -4.361 3.005 -11.829 1.00 0.00 C ATOM 1051 C GLN A 65 -3.326 2.597 -10.785 1.00 0.00 C ATOM 1052 O GLN A 65 -3.631 2.472 -9.602 1.00 0.00 O ATOM 1053 CB GLN A 65 -4.547 4.531 -11.877 1.00 0.00 C ATOM 1054 CG GLN A 65 -5.338 5.107 -10.717 1.00 0.00 C ATOM 1055 CD GLN A 65 -5.703 6.555 -10.931 1.00 0.00 C ATOM 1056 OE1 GLN A 65 -4.968 7.467 -10.547 1.00 0.00 O ATOM 1057 NE2 GLN A 65 -6.835 6.775 -11.558 1.00 0.00 N ATOM 0 H GLN A 65 -6.089 2.562 -10.734 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.981 2.693 -12.802 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.565 5.003 -11.900 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.049 4.794 -12.808 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.248 4.523 -10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.754 5.014 -9.801 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.413 5.990 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.137 7.731 -11.745 1.00 0.00 H new ATOM 1066 N PRO A 66 -2.097 2.352 -11.224 1.00 0.00 N ATOM 1067 CA PRO A 66 -1.010 1.944 -10.339 1.00 0.00 C ATOM 1068 C PRO A 66 -0.491 3.103 -9.496 1.00 0.00 C ATOM 1069 O PRO A 66 -0.394 4.242 -9.969 1.00 0.00 O ATOM 1070 CB PRO A 66 0.066 1.468 -11.310 1.00 0.00 C ATOM 1071 CG PRO A 66 -0.175 2.256 -12.551 1.00 0.00 C ATOM 1072 CD PRO A 66 -1.663 2.458 -12.629 1.00 0.00 C ATOM 0 HA PRO A 66 -1.324 1.186 -9.621 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.065 1.648 -10.914 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.015 0.397 -11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.347 3.212 -12.514 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.194 1.725 -13.429 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.915 3.429 -13.055 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.139 1.703 -13.254 1.00 0.00 H new ATOM 1080 N ILE A 67 -0.137 2.822 -8.260 1.00 0.00 N ATOM 1081 CA ILE A 67 0.360 3.855 -7.367 1.00 0.00 C ATOM 1082 C ILE A 67 1.736 3.525 -6.860 1.00 0.00 C ATOM 1083 O ILE A 67 2.021 2.399 -6.460 1.00 0.00 O ATOM 1084 CB ILE A 67 -0.573 4.153 -6.157 1.00 0.00 C ATOM 1085 CG1 ILE A 67 -1.003 2.861 -5.414 1.00 0.00 C ATOM 1086 CG2 ILE A 67 -1.780 4.976 -6.592 1.00 0.00 C ATOM 1087 CD1 ILE A 67 -2.166 2.125 -6.044 1.00 0.00 C ATOM 0 H ILE A 67 -0.183 1.890 -7.848 1.00 0.00 H new ATOM 0 HA ILE A 67 0.392 4.757 -7.978 1.00 0.00 H new ATOM 0 HB ILE A 67 0.001 4.745 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.149 2.186 -5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.267 3.119 -4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.417 5.171 -5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.442 5.922 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.345 4.424 -7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.395 1.236 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.039 2.778 -6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.903 1.830 -7.060 1.00 0.00 H new ATOM 1099 N ASN A 68 2.596 4.499 -6.914 1.00 0.00 N ATOM 1100 CA ASN A 68 3.947 4.368 -6.444 1.00 0.00 C ATOM 1101 C ASN A 68 4.045 4.802 -5.002 1.00 0.00 C ATOM 1102 O ASN A 68 3.304 5.671 -4.551 1.00 0.00 O ATOM 1103 CB ASN A 68 4.892 5.197 -7.324 1.00 0.00 C ATOM 1104 CG ASN A 68 4.205 6.415 -7.911 1.00 0.00 C ATOM 1105 OD1 ASN A 68 3.666 6.367 -9.017 1.00 0.00 O ATOM 1106 ND2 ASN A 68 4.204 7.495 -7.185 1.00 0.00 N ATOM 0 H ASN A 68 2.377 5.421 -7.291 1.00 0.00 H new ATOM 0 HA ASN A 68 4.243 3.321 -6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.751 5.516 -6.733 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.275 4.573 -8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.746 8.340 -7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.661 7.497 -6.273 1.00 0.00 H new ATOM 1113 N GLU A 69 4.965 4.197 -4.278 1.00 0.00 N ATOM 1114 CA GLU A 69 5.183 4.487 -2.857 1.00 0.00 C ATOM 1115 C GLU A 69 5.515 5.949 -2.600 1.00 0.00 C ATOM 1116 O GLU A 69 5.360 6.452 -1.488 1.00 0.00 O ATOM 1117 CB GLU A 69 6.269 3.578 -2.288 1.00 0.00 C ATOM 1118 CG GLU A 69 7.451 3.356 -3.208 1.00 0.00 C ATOM 1119 CD GLU A 69 8.487 4.448 -3.145 1.00 0.00 C ATOM 1120 OE1 GLU A 69 8.736 4.981 -2.049 1.00 0.00 O ATOM 1121 OE2 GLU A 69 9.078 4.756 -4.197 1.00 0.00 O ATOM 0 H GLU A 69 5.591 3.484 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 69 4.243 4.285 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.629 4.006 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.826 2.612 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.922 2.406 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.090 3.270 -4.233 1.00 0.00 H new ATOM 1128 N THR A 70 5.957 6.634 -3.631 1.00 0.00 N ATOM 1129 CA THR A 70 6.302 8.031 -3.527 1.00 0.00 C ATOM 1130 C THR A 70 5.046 8.910 -3.487 1.00 0.00 C ATOM 1131 O THR A 70 5.105 10.103 -3.167 1.00 0.00 O ATOM 1132 CB THR A 70 7.180 8.461 -4.708 1.00 0.00 C ATOM 1133 OG1 THR A 70 6.523 8.120 -5.931 1.00 0.00 O ATOM 1134 CG2 THR A 70 8.511 7.756 -4.656 1.00 0.00 C ATOM 0 H THR A 70 6.087 6.238 -4.562 1.00 0.00 H new ATOM 0 HA THR A 70 6.855 8.162 -2.597 1.00 0.00 H new ATOM 0 HB THR A 70 7.343 9.537 -4.653 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.080 8.395 -6.689 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.123 8.072 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.020 8.007 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.354 6.678 -4.704 1.00 0.00 H new ATOM 1142 N ASP A 71 3.905 8.322 -3.818 1.00 0.00 N ATOM 1143 CA ASP A 71 2.649 9.054 -3.838 1.00 0.00 C ATOM 1144 C ASP A 71 1.877 8.886 -2.546 1.00 0.00 C ATOM 1145 O ASP A 71 2.195 8.030 -1.726 1.00 0.00 O ATOM 1146 CB ASP A 71 1.797 8.667 -5.052 1.00 0.00 C ATOM 1147 CG ASP A 71 1.931 9.689 -6.164 1.00 0.00 C ATOM 1148 OD1 ASP A 71 1.799 10.897 -5.878 1.00 0.00 O ATOM 1149 OD2 ASP A 71 2.184 9.300 -7.322 1.00 0.00 O ATOM 0 H ASP A 71 3.824 7.339 -4.077 1.00 0.00 H new ATOM 0 HA ASP A 71 2.895 10.112 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.103 7.687 -5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.752 8.584 -4.755 1.00 0.00 H new ATOM 1154 N THR A 72 0.870 9.714 -2.360 1.00 0.00 N ATOM 1155 CA THR A 72 0.071 9.704 -1.151 1.00 0.00 C ATOM 1156 C THR A 72 -1.388 9.369 -1.465 1.00 0.00 C ATOM 1157 O THR A 72 -1.841 9.547 -2.601 1.00 0.00 O ATOM 1158 CB THR A 72 0.125 11.086 -0.468 1.00 0.00 C ATOM 1159 OG1 THR A 72 -0.208 12.106 -1.424 1.00 0.00 O ATOM 1160 CG2 THR A 72 1.507 11.355 0.105 1.00 0.00 C ATOM 0 H THR A 72 0.582 10.414 -3.043 1.00 0.00 H new ATOM 0 HA THR A 72 0.480 8.943 -0.487 1.00 0.00 H new ATOM 0 HB THR A 72 -0.594 11.096 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.176 12.984 -0.990 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.519 12.335 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.750 10.590 0.843 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.244 11.332 -0.697 1.00 0.00 H new ATOM 1168 N PRO A 73 -2.157 8.887 -0.463 1.00 0.00 N ATOM 1169 CA PRO A 73 -3.583 8.576 -0.639 1.00 0.00 C ATOM 1170 C PRO A 73 -4.424 9.840 -0.888 1.00 0.00 C ATOM 1171 O PRO A 73 -5.628 9.772 -1.159 1.00 0.00 O ATOM 1172 CB PRO A 73 -3.978 7.926 0.694 1.00 0.00 C ATOM 1173 CG PRO A 73 -2.967 8.409 1.674 1.00 0.00 C ATOM 1174 CD PRO A 73 -1.690 8.578 0.906 1.00 0.00 C ATOM 0 HA PRO A 73 -3.757 7.937 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.986 8.216 0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.968 6.839 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.279 9.352 2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.841 7.695 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.078 9.383 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.083 7.673 0.930 1.00 0.00 H new ATOM 1182 N ALA A 74 -3.787 10.996 -0.793 1.00 0.00 N ATOM 1183 CA ALA A 74 -4.456 12.265 -1.028 1.00 0.00 C ATOM 1184 C ALA A 74 -4.254 12.715 -2.462 1.00 0.00 C ATOM 1185 O ALA A 74 -4.938 13.610 -2.949 1.00 0.00 O ATOM 1186 CB ALA A 74 -3.935 13.319 -0.070 1.00 0.00 C ATOM 0 H ALA A 74 -2.799 11.081 -0.553 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.524 12.130 -0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.444 14.264 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.122 13.003 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.863 13.449 -0.220 1.00 0.00 H new ATOM 1192 N GLN A 75 -3.316 12.077 -3.148 1.00 0.00 N ATOM 1193 CA GLN A 75 -2.998 12.429 -4.522 1.00 0.00 C ATOM 1194 C GLN A 75 -4.148 12.064 -5.446 1.00 0.00 C ATOM 1195 O GLN A 75 -4.441 12.764 -6.410 1.00 0.00 O ATOM 1196 CB GLN A 75 -1.741 11.692 -4.972 1.00 0.00 C ATOM 1197 CG GLN A 75 -0.991 12.397 -6.075 1.00 0.00 C ATOM 1198 CD GLN A 75 -0.263 13.613 -5.559 1.00 0.00 C ATOM 1199 OE1 GLN A 75 -0.810 14.717 -5.526 1.00 0.00 O ATOM 1200 NE2 GLN A 75 0.972 13.420 -5.152 1.00 0.00 N ATOM 0 H GLN A 75 -2.760 11.309 -2.772 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.829 13.505 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.078 11.565 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.017 10.694 -5.312 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.277 11.709 -6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.688 12.694 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.384 12.488 -5.198 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.518 14.202 -4.790 1.00 0.00 H new ATOM 1209 N LEU A 76 -4.802 10.961 -5.143 1.00 0.00 N ATOM 1210 CA LEU A 76 -5.898 10.467 -5.958 1.00 0.00 C ATOM 1211 C LEU A 76 -7.235 10.586 -5.229 1.00 0.00 C ATOM 1212 O LEU A 76 -8.277 10.195 -5.755 1.00 0.00 O ATOM 1213 CB LEU A 76 -5.644 9.002 -6.436 1.00 0.00 C ATOM 1214 CG LEU A 76 -4.980 8.005 -5.438 1.00 0.00 C ATOM 1215 CD1 LEU A 76 -3.483 8.258 -5.298 1.00 0.00 C ATOM 1216 CD2 LEU A 76 -5.650 8.052 -4.077 1.00 0.00 C ATOM 0 H LEU A 76 -4.592 10.383 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.949 11.097 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.602 8.580 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.018 9.047 -7.328 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.117 7.007 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.057 7.543 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.002 8.141 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.318 9.271 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.162 7.345 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.568 9.058 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.702 7.787 -4.180 1.00 0.00 H new ATOM 1228 N GLU A 77 -7.190 11.136 -4.011 1.00 0.00 N ATOM 1229 CA GLU A 77 -8.378 11.332 -3.176 1.00 0.00 C ATOM 1230 C GLU A 77 -9.194 10.053 -3.000 1.00 0.00 C ATOM 1231 O GLU A 77 -10.357 9.980 -3.387 1.00 0.00 O ATOM 1232 CB GLU A 77 -9.251 12.459 -3.730 1.00 0.00 C ATOM 1233 CG GLU A 77 -8.666 13.840 -3.511 1.00 0.00 C ATOM 1234 CD GLU A 77 -8.615 14.217 -2.046 1.00 0.00 C ATOM 1235 OE1 GLU A 77 -7.675 13.792 -1.344 1.00 0.00 O ATOM 1236 OE2 GLU A 77 -9.518 14.945 -1.588 1.00 0.00 O ATOM 0 H GLU A 77 -6.326 11.458 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 77 -8.021 11.616 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.400 12.301 -4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.234 12.411 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.660 13.876 -3.928 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.262 14.575 -4.052 1.00 0.00 H new ATOM 1243 N MET A 78 -8.575 9.033 -2.435 1.00 0.00 N ATOM 1244 CA MET A 78 -9.275 7.784 -2.169 1.00 0.00 C ATOM 1245 C MET A 78 -10.204 7.931 -0.975 1.00 0.00 C ATOM 1246 O MET A 78 -10.073 8.862 -0.175 1.00 0.00 O ATOM 1247 CB MET A 78 -8.294 6.632 -1.945 1.00 0.00 C ATOM 1248 CG MET A 78 -7.211 6.933 -0.932 1.00 0.00 C ATOM 1249 SD MET A 78 -6.125 5.524 -0.617 1.00 0.00 S ATOM 1250 CE MET A 78 -5.813 4.920 -2.273 1.00 0.00 C ATOM 0 H MET A 78 -7.595 9.041 -2.152 1.00 0.00 H new ATOM 0 HA MET A 78 -9.874 7.548 -3.048 1.00 0.00 H new ATOM 0 HB2 MET A 78 -8.850 5.754 -1.617 1.00 0.00 H new ATOM 0 HB3 MET A 78 -7.827 6.376 -2.896 1.00 0.00 H new ATOM 0 HG2 MET A 78 -6.613 7.773 -1.286 1.00 0.00 H new ATOM 0 HG3 MET A 78 -7.674 7.244 0.005 1.00 0.00 H new ATOM 0 HE1 MET A 78 -4.742 4.773 -2.411 1.00 0.00 H new ATOM 0 HE2 MET A 78 -6.331 3.972 -2.418 1.00 0.00 H new ATOM 0 HE3 MET A 78 -6.176 5.647 -3.000 1.00 0.00 H new ATOM 1260 N GLU A 79 -11.130 7.007 -0.849 1.00 0.00 N ATOM 1261 CA GLU A 79 -12.128 7.053 0.209 1.00 0.00 C ATOM 1262 C GLU A 79 -11.632 6.372 1.469 1.00 0.00 C ATOM 1263 O GLU A 79 -10.700 5.564 1.431 1.00 0.00 O ATOM 1264 CB GLU A 79 -13.409 6.367 -0.253 1.00 0.00 C ATOM 1265 CG GLU A 79 -14.116 7.070 -1.391 1.00 0.00 C ATOM 1266 CD GLU A 79 -14.621 8.438 -0.996 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -15.337 8.536 0.026 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -14.321 9.421 -1.710 1.00 0.00 O ATOM 0 H GLU A 79 -11.217 6.204 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.323 8.102 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.171 5.349 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.092 6.292 0.593 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.433 7.167 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.954 6.459 -1.728 1.00 0.00 H new ATOM 1275 N ASP A 80 -12.252 6.697 2.594 1.00 0.00 N ATOM 1276 CA ASP A 80 -11.924 6.047 3.848 1.00 0.00 C ATOM 1277 C ASP A 80 -12.391 4.626 3.802 1.00 0.00 C ATOM 1278 O ASP A 80 -13.526 4.341 3.402 1.00 0.00 O ATOM 1279 CB ASP A 80 -12.577 6.755 5.029 1.00 0.00 C ATOM 1280 CG ASP A 80 -12.268 6.114 6.368 1.00 0.00 C ATOM 1281 OD1 ASP A 80 -11.088 6.021 6.729 1.00 0.00 O ATOM 1282 OD2 ASP A 80 -13.223 5.722 7.074 1.00 0.00 O ATOM 0 H ASP A 80 -12.983 7.405 2.661 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.843 6.088 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.246 7.793 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -13.657 6.768 4.882 1.00 0.00 H new ATOM 1287 N GLU A 81 -11.510 3.743 4.177 1.00 0.00 N ATOM 1288 CA GLU A 81 -11.756 2.320 4.232 1.00 0.00 C ATOM 1289 C GLU A 81 -11.819 1.707 2.837 1.00 0.00 C ATOM 1290 O GLU A 81 -12.374 0.622 2.644 1.00 0.00 O ATOM 1291 CB GLU A 81 -13.021 1.996 5.028 1.00 0.00 C ATOM 1292 CG GLU A 81 -13.102 2.718 6.357 1.00 0.00 C ATOM 1293 CD GLU A 81 -14.049 2.054 7.314 1.00 0.00 C ATOM 1294 OE1 GLU A 81 -13.751 0.930 7.761 1.00 0.00 O ATOM 1295 OE2 GLU A 81 -15.105 2.648 7.630 1.00 0.00 O ATOM 0 H GLU A 81 -10.565 3.998 4.464 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.911 1.871 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.894 2.256 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -13.064 0.921 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.109 2.761 6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.421 3.747 6.189 1.00 0.00 H new ATOM 1302 N ASP A 82 -11.243 2.399 1.851 1.00 0.00 N ATOM 1303 CA ASP A 82 -11.209 1.886 0.485 1.00 0.00 C ATOM 1304 C ASP A 82 -10.229 0.718 0.394 1.00 0.00 C ATOM 1305 O ASP A 82 -9.595 0.353 1.378 1.00 0.00 O ATOM 1306 CB ASP A 82 -10.803 2.977 -0.498 1.00 0.00 C ATOM 1307 CG ASP A 82 -11.525 2.842 -1.826 1.00 0.00 C ATOM 1308 OD1 ASP A 82 -11.315 1.827 -2.526 1.00 0.00 O ATOM 1309 OD2 ASP A 82 -12.313 3.748 -2.179 1.00 0.00 O ATOM 0 H ASP A 82 -10.798 3.308 1.974 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.210 1.543 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.019 3.954 -0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.727 2.933 -0.664 1.00 0.00 H new ATOM 1314 N THR A 83 -10.086 0.129 -0.773 1.00 0.00 N ATOM 1315 CA THR A 83 -9.210 -1.014 -0.915 1.00 0.00 C ATOM 1316 C THR A 83 -8.329 -0.908 -2.169 1.00 0.00 C ATOM 1317 O THR A 83 -8.719 -0.320 -3.179 1.00 0.00 O ATOM 1318 CB THR A 83 -10.026 -2.320 -0.963 1.00 0.00 C ATOM 1319 OG1 THR A 83 -11.123 -2.227 -0.037 1.00 0.00 O ATOM 1320 CG2 THR A 83 -9.155 -3.508 -0.573 1.00 0.00 C ATOM 0 H THR A 83 -10.559 0.418 -1.629 1.00 0.00 H new ATOM 0 HA THR A 83 -8.556 -1.027 -0.043 1.00 0.00 H new ATOM 0 HB THR A 83 -10.395 -2.465 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.646 -3.055 -0.065 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.748 -4.422 -0.612 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.318 -3.588 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.776 -3.365 0.439 1.00 0.00 H new ATOM 1328 N ILE A 84 -7.145 -1.504 -2.094 1.00 0.00 N ATOM 1329 CA ILE A 84 -6.179 -1.492 -3.180 1.00 0.00 C ATOM 1330 C ILE A 84 -5.930 -2.933 -3.618 1.00 0.00 C ATOM 1331 O ILE A 84 -6.030 -3.858 -2.805 1.00 0.00 O ATOM 1332 CB ILE A 84 -4.821 -0.822 -2.746 1.00 0.00 C ATOM 1333 CG1 ILE A 84 -4.989 0.685 -2.500 1.00 0.00 C ATOM 1334 CG2 ILE A 84 -3.725 -1.055 -3.776 1.00 0.00 C ATOM 1335 CD1 ILE A 84 -5.701 1.029 -1.216 1.00 0.00 C ATOM 0 H ILE A 84 -6.828 -2.013 -1.269 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.582 -0.902 -4.003 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.524 -1.297 -1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.004 1.152 -2.492 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.540 1.118 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.804 -0.578 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.557 -2.126 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.028 -0.628 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.777 2.112 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.701 0.595 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.141 0.629 -0.371 1.00 0.00 H new ATOM 1347 N ASP A 85 -5.636 -3.138 -4.887 1.00 0.00 N ATOM 1348 CA ASP A 85 -5.408 -4.477 -5.408 1.00 0.00 C ATOM 1349 C ASP A 85 -3.929 -4.768 -5.477 1.00 0.00 C ATOM 1350 O ASP A 85 -3.152 -3.974 -6.022 1.00 0.00 O ATOM 1351 CB ASP A 85 -5.996 -4.596 -6.793 1.00 0.00 C ATOM 1352 CG ASP A 85 -6.386 -6.009 -7.161 1.00 0.00 C ATOM 1353 OD1 ASP A 85 -7.224 -6.596 -6.451 1.00 0.00 O ATOM 1354 OD2 ASP A 85 -5.880 -6.521 -8.182 1.00 0.00 O ATOM 0 H ASP A 85 -5.549 -2.394 -5.580 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.887 -5.193 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.875 -3.955 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.273 -4.226 -7.520 1.00 0.00 H new ATOM 1359 N VAL A 86 -3.528 -5.881 -4.919 1.00 0.00 N ATOM 1360 CA VAL A 86 -2.147 -6.289 -4.934 1.00 0.00 C ATOM 1361 C VAL A 86 -1.967 -7.540 -5.751 1.00 0.00 C ATOM 1362 O VAL A 86 -2.724 -8.505 -5.629 1.00 0.00 O ATOM 1363 CB VAL A 86 -1.593 -6.502 -3.501 1.00 0.00 C ATOM 1364 CG1 VAL A 86 -0.432 -7.494 -3.487 1.00 0.00 C ATOM 1365 CG2 VAL A 86 -1.139 -5.184 -2.938 1.00 0.00 C ATOM 0 H VAL A 86 -4.151 -6.531 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.579 -5.481 -5.395 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.393 -6.916 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.071 -7.617 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.771 -8.456 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.376 -7.118 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.750 -5.333 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.356 -4.768 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.982 -4.494 -2.902 1.00 0.00 H new ATOM 1375 N PHE A 87 -0.956 -7.530 -6.570 1.00 0.00 N ATOM 1376 CA PHE A 87 -0.649 -8.650 -7.420 1.00 0.00 C ATOM 1377 C PHE A 87 0.836 -8.901 -7.410 1.00 0.00 C ATOM 1378 O PHE A 87 1.634 -7.968 -7.315 1.00 0.00 O ATOM 1379 CB PHE A 87 -1.168 -8.417 -8.847 1.00 0.00 C ATOM 1380 CG PHE A 87 -0.901 -7.037 -9.395 1.00 0.00 C ATOM 1381 CD1 PHE A 87 -1.603 -5.942 -8.918 1.00 0.00 C ATOM 1382 CD2 PHE A 87 0.040 -6.839 -10.389 1.00 0.00 C ATOM 1383 CE1 PHE A 87 -1.371 -4.683 -9.412 1.00 0.00 C ATOM 1384 CE2 PHE A 87 0.273 -5.576 -10.894 1.00 0.00 C ATOM 1385 CZ PHE A 87 -0.433 -4.496 -10.402 1.00 0.00 C ATOM 0 H PHE A 87 -0.316 -6.742 -6.670 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.154 -9.536 -7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.711 -9.152 -9.510 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.243 -8.598 -8.863 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.344 -6.081 -8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.597 -7.680 -10.773 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.924 -3.840 -9.025 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.007 -5.432 -11.673 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.250 -3.506 -10.793 1.00 0.00 H new ATOM 1395 N GLN A 88 1.220 -10.154 -7.490 1.00 0.00 N ATOM 1396 CA GLN A 88 2.616 -10.507 -7.427 1.00 0.00 C ATOM 1397 C GLN A 88 3.089 -10.996 -8.778 1.00 0.00 C ATOM 1398 O GLN A 88 2.674 -12.058 -9.254 1.00 0.00 O ATOM 1399 CB GLN A 88 2.854 -11.584 -6.359 1.00 0.00 C ATOM 1400 CG GLN A 88 1.874 -11.517 -5.188 1.00 0.00 C ATOM 1401 CD GLN A 88 2.397 -12.167 -3.920 1.00 0.00 C ATOM 1402 OE1 GLN A 88 1.630 -12.754 -3.155 1.00 0.00 O ATOM 1403 NE2 GLN A 88 3.684 -12.010 -3.653 1.00 0.00 N ATOM 0 H GLN A 88 0.584 -10.944 -7.599 1.00 0.00 H new ATOM 0 HA GLN A 88 3.186 -9.619 -7.152 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.783 -12.567 -6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.870 -11.485 -5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.639 -10.473 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.942 -12.002 -5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.285 -11.517 -4.313 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.074 -12.382 -2.787 1.00 0.00 H new