USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 893 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 127 GLN : amide:sc= -2.69 X(o=-9.9,f=-9.7) USER MOD Set 1.2: A 129 HIS : no HE2:sc= -7.23 K(o=-9.9,f=-6.4!) USER MOD Set 2.1: A 55 HIS : no HD1:sc= -18.1! C(o=-27!,f=-30!) USER MOD Set 2.2: A 119 MET CE :methyl 148:sc= -9.12! (180deg=-4.67!) USER MOD Set 3.1: A 103 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Set 3.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 29 HIS : no HD1:sc= -2.48 K(o=-3.9,f=-0.055) USER MOD Set 4.2: A 102 TYR OH : rot 0:sc= -1.41 USER MOD Single : A 18 SER OG : rot 40:sc= 0.0748 USER MOD Single : A 19 ASN : amide:sc= 0.014 X(o=0.014,f=-0.15) USER MOD Single : A 20 LYS NZ :NH3+ -123:sc= 0.0481 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -2.39! K(o=-2.4!,f=-1.7) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 95:sc= -0.421 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0815 K(o=-0.081,f=-1.8!) USER MOD Single : A 40 GLN : amide:sc= -0.238 K(o=-0.24,f=-0.98) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= -0.048 (180deg=-0.617) USER MOD Single : A 42 ASN : amide:sc= 0.918 K(o=0.92,f=-0.86) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 80:sc= -0.1 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.622 K(o=-0.62,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot -30:sc= -1.58 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -179:sc= -0.0373 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -161:sc= -1.26 (180deg=-2.5!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 54:sc= 1.05 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -1.75! USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 4.992 2.685 -13.246 1.00 0.00 N ATOM 239 CA SER A 18 4.025 3.251 -12.322 1.00 0.00 C ATOM 240 C SER A 18 2.955 2.212 -11.982 1.00 0.00 C ATOM 241 O SER A 18 2.627 1.361 -12.806 1.00 0.00 O ATOM 242 CB SER A 18 3.377 4.509 -12.906 1.00 0.00 C ATOM 243 OG SER A 18 2.246 4.928 -12.147 1.00 0.00 O ATOM 0 HA SER A 18 4.549 3.535 -11.409 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.111 5.314 -12.937 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.072 4.316 -13.934 1.00 0.00 H new ATOM 0 HG SER A 18 2.436 4.823 -11.191 1.00 0.00 H new ATOM 249 N ASN A 19 2.440 2.316 -10.765 1.00 0.00 N ATOM 250 CA ASN A 19 1.414 1.396 -10.306 1.00 0.00 C ATOM 251 C ASN A 19 0.455 2.134 -9.371 1.00 0.00 C ATOM 252 O ASN A 19 0.100 1.623 -8.309 1.00 0.00 O ATOM 253 CB ASN A 19 2.028 0.230 -9.528 1.00 0.00 C ATOM 254 CG ASN A 19 3.105 0.723 -8.560 1.00 0.00 C ATOM 255 OD1 ASN A 19 4.247 0.950 -8.924 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.679 0.876 -7.309 1.00 0.00 N ATOM 0 H ASN A 19 2.715 3.023 -10.083 1.00 0.00 H new ATOM 0 HA ASN A 19 0.891 1.011 -11.181 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.248 -0.293 -8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.461 -0.488 -10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.322 1.201 -6.587 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.709 0.668 -7.071 1.00 0.00 H new ATOM 263 N LYS A 20 0.061 3.325 -9.799 1.00 0.00 N ATOM 264 CA LYS A 20 -0.851 4.139 -9.013 1.00 0.00 C ATOM 265 C LYS A 20 -2.249 3.518 -9.057 1.00 0.00 C ATOM 266 O LYS A 20 -2.864 3.290 -8.017 1.00 0.00 O ATOM 267 CB LYS A 20 -0.809 5.595 -9.482 1.00 0.00 C ATOM 268 CG LYS A 20 -1.889 6.426 -8.786 1.00 0.00 C ATOM 269 CD LYS A 20 -2.377 7.558 -9.692 1.00 0.00 C ATOM 270 CE LYS A 20 -1.613 8.853 -9.411 1.00 0.00 C ATOM 271 NZ LYS A 20 -2.411 10.027 -9.831 1.00 0.00 N ATOM 0 H LYS A 20 0.357 3.746 -10.680 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.543 4.156 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.173 6.020 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.952 5.637 -10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.728 5.785 -8.515 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.493 6.842 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.247 7.274 -10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.444 7.720 -9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.383 8.923 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.661 8.844 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.867 10.589 -10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.296 9.705 -10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.631 10.613 -9.000 1.00 0.00 H new ATOM 285 N PHE A 21 -2.710 3.263 -10.273 1.00 0.00 N ATOM 286 CA PHE A 21 -4.023 2.673 -10.466 1.00 0.00 C ATOM 287 C PHE A 21 -4.112 1.300 -9.798 1.00 0.00 C ATOM 288 O PHE A 21 -5.203 0.831 -9.477 1.00 0.00 O ATOM 289 CB PHE A 21 -4.221 2.508 -11.974 1.00 0.00 C ATOM 290 CG PHE A 21 -4.610 3.799 -12.697 1.00 0.00 C ATOM 291 CD1 PHE A 21 -3.649 4.688 -13.065 1.00 0.00 C ATOM 292 CD2 PHE A 21 -5.917 4.058 -12.971 1.00 0.00 C ATOM 293 CE1 PHE A 21 -4.009 5.887 -13.735 1.00 0.00 C ATOM 294 CE2 PHE A 21 -6.277 5.257 -13.641 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.316 6.146 -14.009 1.00 0.00 C ATOM 0 H PHE A 21 -2.197 3.454 -11.134 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.787 3.312 -10.022 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.300 2.123 -12.411 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.994 1.759 -12.149 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.611 4.482 -12.848 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.680 3.352 -12.679 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.246 6.593 -14.027 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.315 5.463 -13.858 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.590 7.058 -14.519 1.00 0.00 H new ATOM 305 N ILE A 22 -2.949 0.693 -9.608 1.00 0.00 N ATOM 306 CA ILE A 22 -2.881 -0.617 -8.984 1.00 0.00 C ATOM 307 C ILE A 22 -3.097 -0.471 -7.477 1.00 0.00 C ATOM 308 O ILE A 22 -3.545 -1.407 -6.817 1.00 0.00 O ATOM 309 CB ILE A 22 -1.573 -1.319 -9.353 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.420 -1.433 -10.871 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.468 -2.680 -8.662 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.021 -1.778 -11.253 1.00 0.00 C ATOM 0 H ILE A 22 -2.046 1.085 -9.876 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.677 -1.260 -9.360 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.745 -0.709 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.094 -2.200 -11.251 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.709 -0.493 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.529 -3.158 -8.941 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.498 -2.543 -7.581 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.302 -3.310 -8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.102 -1.853 -12.337 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.690 -0.997 -10.892 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.299 -2.730 -10.802 1.00 0.00 H new ATOM 324 N ILE A 23 -2.769 0.711 -6.976 1.00 0.00 N ATOM 325 CA ILE A 23 -2.922 0.992 -5.558 1.00 0.00 C ATOM 326 C ILE A 23 -4.362 1.427 -5.281 1.00 0.00 C ATOM 327 O ILE A 23 -4.980 0.967 -4.322 1.00 0.00 O ATOM 328 CB ILE A 23 -1.873 2.006 -5.097 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.469 1.398 -5.134 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.220 2.563 -3.715 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.437 0.048 -4.415 1.00 0.00 C ATOM 0 H ILE A 23 -2.398 1.485 -7.527 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.742 0.092 -4.969 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.879 2.845 -5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.151 1.271 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.239 2.081 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.459 3.281 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.190 3.058 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.258 1.747 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.572 -0.362 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.732 0.183 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.128 -0.640 -4.902 1.00 0.00 H new ATOM 343 N HIS A 24 -4.855 2.309 -6.138 1.00 0.00 N ATOM 344 CA HIS A 24 -6.211 2.812 -5.998 1.00 0.00 C ATOM 345 C HIS A 24 -7.141 1.670 -5.581 1.00 0.00 C ATOM 346 O HIS A 24 -7.991 1.844 -4.709 1.00 0.00 O ATOM 347 CB HIS A 24 -6.667 3.510 -7.281 1.00 0.00 C ATOM 348 CG HIS A 24 -7.747 4.544 -7.067 1.00 0.00 C ATOM 349 ND1 HIS A 24 -9.031 4.215 -6.669 1.00 0.00 N ATOM 350 CD2 HIS A 24 -7.720 5.901 -7.197 1.00 0.00 C ATOM 351 CE1 HIS A 24 -9.737 5.332 -6.570 1.00 0.00 C ATOM 352 NE2 HIS A 24 -8.923 6.375 -6.898 1.00 0.00 N ATOM 0 H HIS A 24 -4.339 2.688 -6.932 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.244 3.567 -5.212 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.806 3.990 -7.747 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.031 2.759 -7.982 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.865 6.490 -7.493 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.775 5.403 -6.280 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.194 7.358 -6.911 1.00 0.00 H new ATOM 360 N ASN A 25 -6.948 0.528 -6.224 1.00 0.00 N ATOM 361 CA ASN A 25 -7.759 -0.642 -5.931 1.00 0.00 C ATOM 362 C ASN A 25 -7.247 -1.304 -4.651 1.00 0.00 C ATOM 363 O ASN A 25 -8.032 -1.649 -3.769 1.00 0.00 O ATOM 364 CB ASN A 25 -7.673 -1.669 -7.062 1.00 0.00 C ATOM 365 CG ASN A 25 -8.729 -1.394 -8.134 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.910 -1.645 -7.957 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.240 -0.866 -9.252 1.00 0.00 N ATOM 0 H ASN A 25 -6.242 0.388 -6.947 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.793 -0.316 -5.818 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.679 -1.640 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.812 -2.672 -6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.865 -0.646 -10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.240 -0.681 -9.334 1.00 0.00 H new ATOM 374 N ALA A 26 -5.933 -1.462 -4.589 1.00 0.00 N ATOM 375 CA ALA A 26 -5.306 -2.078 -3.431 1.00 0.00 C ATOM 376 C ALA A 26 -5.961 -1.540 -2.157 1.00 0.00 C ATOM 377 O ALA A 26 -6.021 -2.236 -1.145 1.00 0.00 O ATOM 378 CB ALA A 26 -3.799 -1.817 -3.467 1.00 0.00 C ATOM 0 H ALA A 26 -5.285 -1.174 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.450 -3.158 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.329 -2.279 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.378 -2.243 -4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.615 -0.743 -3.450 1.00 0.00 H new ATOM 384 N LEU A 27 -6.435 -0.306 -2.249 1.00 0.00 N ATOM 385 CA LEU A 27 -7.083 0.332 -1.116 1.00 0.00 C ATOM 386 C LEU A 27 -8.478 -0.269 -0.926 1.00 0.00 C ATOM 387 O LEU A 27 -8.823 -0.712 0.168 1.00 0.00 O ATOM 388 CB LEU A 27 -7.087 1.853 -1.288 1.00 0.00 C ATOM 389 CG LEU A 27 -5.731 2.498 -1.581 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.818 4.023 -1.485 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.644 1.927 -0.668 1.00 0.00 C ATOM 0 H LEU A 27 -6.383 0.269 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.525 0.139 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.770 2.105 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.491 2.300 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.451 2.255 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.841 4.457 -1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.545 4.392 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.130 4.307 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.690 2.402 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.905 2.119 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.562 0.852 -0.829 1.00 0.00 H new ATOM 403 N SER A 28 -9.242 -0.264 -2.009 1.00 0.00 N ATOM 404 CA SER A 28 -10.590 -0.803 -1.975 1.00 0.00 C ATOM 405 C SER A 28 -10.542 -2.332 -1.953 1.00 0.00 C ATOM 406 O SER A 28 -11.581 -2.989 -1.887 1.00 0.00 O ATOM 407 CB SER A 28 -11.409 -0.315 -3.172 1.00 0.00 C ATOM 408 OG SER A 28 -12.104 0.896 -2.886 1.00 0.00 O ATOM 0 H SER A 28 -8.953 0.105 -2.915 1.00 0.00 H new ATOM 0 HA SER A 28 -11.077 -0.448 -1.067 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.748 -0.161 -4.025 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.125 -1.085 -3.459 1.00 0.00 H new ATOM 0 HG SER A 28 -12.613 1.175 -3.675 1.00 0.00 H new ATOM 414 N HIS A 29 -9.326 -2.855 -2.009 1.00 0.00 N ATOM 415 CA HIS A 29 -9.129 -4.295 -1.996 1.00 0.00 C ATOM 416 C HIS A 29 -9.182 -4.807 -0.555 1.00 0.00 C ATOM 417 O HIS A 29 -9.884 -5.773 -0.261 1.00 0.00 O ATOM 418 CB HIS A 29 -7.831 -4.672 -2.712 1.00 0.00 C ATOM 419 CG HIS A 29 -8.012 -5.010 -4.173 1.00 0.00 C ATOM 420 ND1 HIS A 29 -7.324 -6.038 -4.795 1.00 0.00 N ATOM 421 CD2 HIS A 29 -8.808 -4.448 -5.126 1.00 0.00 C ATOM 422 CE1 HIS A 29 -7.698 -6.082 -6.065 1.00 0.00 C ATOM 423 NE2 HIS A 29 -8.617 -5.095 -6.269 1.00 0.00 N ATOM 0 H HIS A 29 -8.467 -2.308 -2.063 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.934 -4.781 -2.547 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.127 -3.845 -2.625 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.383 -5.526 -2.205 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.481 -3.616 -4.976 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.338 -6.778 -6.809 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.081 -4.888 -7.154 1.00 0.00 H new ATOM 431 N CYS A 30 -8.430 -4.137 0.305 1.00 0.00 N ATOM 432 CA CYS A 30 -8.381 -4.512 1.708 1.00 0.00 C ATOM 433 C CYS A 30 -7.419 -3.564 2.426 1.00 0.00 C ATOM 434 O CYS A 30 -7.668 -3.165 3.563 1.00 0.00 O ATOM 435 CB CYS A 30 -7.980 -5.977 1.888 1.00 0.00 C ATOM 436 SG CYS A 30 -8.681 -6.632 3.447 1.00 0.00 S ATOM 0 H CYS A 30 -7.849 -3.336 0.057 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.375 -4.419 2.147 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.337 -6.567 1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.894 -6.066 1.903 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.336 -7.877 3.589 1.00 0.00 H new ATOM 442 N CYS A 31 -6.340 -3.230 1.733 1.00 0.00 N ATOM 443 CA CYS A 31 -5.339 -2.336 2.291 1.00 0.00 C ATOM 444 C CYS A 31 -6.061 -1.216 3.042 1.00 0.00 C ATOM 445 O CYS A 31 -5.688 -0.875 4.164 1.00 0.00 O ATOM 446 CB CYS A 31 -4.405 -1.789 1.210 1.00 0.00 C ATOM 447 SG CYS A 31 -3.617 -3.171 0.305 1.00 0.00 S ATOM 0 H CYS A 31 -6.137 -3.562 0.790 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.702 -2.885 2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.966 -1.162 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.641 -1.158 1.664 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.298 -3.429 -0.772 1.00 0.00 H new ATOM 453 N LEU A 32 -7.081 -0.674 2.394 1.00 0.00 N ATOM 454 CA LEU A 32 -7.859 0.401 2.987 1.00 0.00 C ATOM 455 C LEU A 32 -9.344 0.164 2.708 1.00 0.00 C ATOM 456 O LEU A 32 -10.107 1.114 2.539 1.00 0.00 O ATOM 457 CB LEU A 32 -7.351 1.760 2.501 1.00 0.00 C ATOM 458 CG LEU A 32 -6.182 2.360 3.285 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.565 3.540 2.533 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.613 2.745 4.702 1.00 0.00 C ATOM 0 H LEU A 32 -7.387 -0.959 1.464 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.735 0.409 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.050 1.661 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.181 2.466 2.528 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.407 1.599 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.737 3.948 3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.198 3.202 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.320 4.313 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.764 3.169 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.414 3.482 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.968 1.859 5.228 1.00 0.00 H new ATOM 472 N ALA A 33 -9.711 -1.109 2.670 1.00 0.00 N ATOM 473 CA ALA A 33 -11.091 -1.482 2.416 1.00 0.00 C ATOM 474 C ALA A 33 -11.818 -1.671 3.748 1.00 0.00 C ATOM 475 O ALA A 33 -11.358 -2.418 4.610 1.00 0.00 O ATOM 476 CB ALA A 33 -11.128 -2.742 1.548 1.00 0.00 C ATOM 0 H ALA A 33 -9.076 -1.895 2.811 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.607 -0.693 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.164 -3.022 1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.625 -2.546 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.622 -3.556 2.067 1.00 0.00 H new ATOM 482 N GLY A 34 -12.942 -0.981 3.876 1.00 0.00 N ATOM 483 CA GLY A 34 -13.737 -1.063 5.089 1.00 0.00 C ATOM 484 C GLY A 34 -14.395 0.281 5.406 1.00 0.00 C ATOM 485 O GLY A 34 -13.774 1.332 5.253 1.00 0.00 O ATOM 0 H GLY A 34 -13.321 -0.362 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.504 -1.829 4.974 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.104 -1.368 5.923 1.00 0.00 H new ATOM 489 N LYS A 35 -15.644 0.205 5.842 1.00 0.00 N ATOM 490 CA LYS A 35 -16.393 1.402 6.181 1.00 0.00 C ATOM 491 C LYS A 35 -15.514 2.327 7.025 1.00 0.00 C ATOM 492 O LYS A 35 -15.374 3.509 6.716 1.00 0.00 O ATOM 493 CB LYS A 35 -17.719 1.034 6.851 1.00 0.00 C ATOM 494 CG LYS A 35 -17.555 -0.192 7.751 1.00 0.00 C ATOM 495 CD LYS A 35 -18.250 -1.414 7.146 1.00 0.00 C ATOM 496 CE LYS A 35 -17.699 -2.710 7.744 1.00 0.00 C ATOM 497 NZ LYS A 35 -16.908 -3.450 6.736 1.00 0.00 N ATOM 0 H LYS A 35 -16.156 -0.668 5.968 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.660 1.951 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.079 1.877 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.472 0.833 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.495 -0.405 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.972 0.017 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -19.323 -1.353 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.109 -1.419 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.076 -2.482 8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.521 -3.332 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.541 -4.327 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.513 -3.684 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.113 -2.860 6.417 1.00 0.00 H new ATOM 511 N VAL A 36 -14.944 1.753 8.075 1.00 0.00 N ATOM 512 CA VAL A 36 -14.082 2.511 8.966 1.00 0.00 C ATOM 513 C VAL A 36 -13.037 3.264 8.139 1.00 0.00 C ATOM 514 O VAL A 36 -12.630 4.366 8.503 1.00 0.00 O ATOM 515 CB VAL A 36 -13.461 1.580 10.009 1.00 0.00 C ATOM 516 CG1 VAL A 36 -14.529 1.029 10.956 1.00 0.00 C ATOM 517 CG2 VAL A 36 -12.683 0.446 9.339 1.00 0.00 C ATOM 0 H VAL A 36 -15.062 0.772 8.328 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.659 3.255 9.516 1.00 0.00 H new ATOM 0 HB VAL A 36 -12.756 2.163 10.602 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.062 0.370 11.688 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.019 1.855 11.472 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.269 0.469 10.384 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.252 -0.201 10.103 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -13.357 -0.135 8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.885 0.865 8.726 1.00 0.00 H new ATOM 527 N ASN A 37 -12.634 2.638 7.043 1.00 0.00 N ATOM 528 CA ASN A 37 -11.644 3.236 6.162 1.00 0.00 C ATOM 529 C ASN A 37 -12.353 3.875 4.966 1.00 0.00 C ATOM 530 O ASN A 37 -11.778 3.980 3.884 1.00 0.00 O ATOM 531 CB ASN A 37 -10.674 2.180 5.628 1.00 0.00 C ATOM 532 CG ASN A 37 -9.589 1.861 6.659 1.00 0.00 C ATOM 533 OD1 ASN A 37 -9.266 2.657 7.525 1.00 0.00 O ATOM 534 ND2 ASN A 37 -9.048 0.655 6.518 1.00 0.00 N ATOM 0 H ASN A 37 -12.974 1.724 6.745 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.089 3.980 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.222 1.271 5.378 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.212 2.537 4.708 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.315 0.347 7.157 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.365 0.038 5.770 1.00 0.00 H new ATOM 541 N GLU A 38 -13.590 4.286 5.202 1.00 0.00 N ATOM 542 CA GLU A 38 -14.383 4.912 4.158 1.00 0.00 C ATOM 543 C GLU A 38 -13.994 6.384 4.007 1.00 0.00 C ATOM 544 O GLU A 38 -13.894 6.892 2.891 1.00 0.00 O ATOM 545 CB GLU A 38 -15.879 4.766 4.443 1.00 0.00 C ATOM 546 CG GLU A 38 -16.713 5.271 3.264 1.00 0.00 C ATOM 547 CD GLU A 38 -18.159 5.535 3.689 1.00 0.00 C ATOM 548 OE1 GLU A 38 -18.753 4.611 4.286 1.00 0.00 O ATOM 549 OE2 GLU A 38 -18.638 6.655 3.408 1.00 0.00 O ATOM 0 H GLU A 38 -14.063 4.198 6.101 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.175 4.403 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.115 3.720 4.639 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.138 5.325 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.273 6.187 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.695 4.536 2.460 1.00 0.00 H new ATOM 556 N PRO A 39 -13.780 7.045 5.176 1.00 0.00 N ATOM 557 CA PRO A 39 -13.404 8.448 5.184 1.00 0.00 C ATOM 558 C PRO A 39 -11.940 8.627 4.775 1.00 0.00 C ATOM 559 O PRO A 39 -11.624 9.475 3.943 1.00 0.00 O ATOM 560 CB PRO A 39 -13.687 8.923 6.600 1.00 0.00 C ATOM 561 CG PRO A 39 -13.769 7.666 7.452 1.00 0.00 C ATOM 562 CD PRO A 39 -13.889 6.475 6.516 1.00 0.00 C ATOM 0 HA PRO A 39 -13.966 9.038 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.897 9.585 6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.619 9.486 6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.882 7.571 8.079 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.628 7.714 8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.101 5.745 6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.840 5.959 6.651 1.00 0.00 H new ATOM 570 N GLN A 40 -11.087 7.813 5.380 1.00 0.00 N ATOM 571 CA GLN A 40 -9.665 7.870 5.089 1.00 0.00 C ATOM 572 C GLN A 40 -9.407 7.510 3.625 1.00 0.00 C ATOM 573 O GLN A 40 -8.786 8.279 2.892 1.00 0.00 O ATOM 574 CB GLN A 40 -8.876 6.953 6.026 1.00 0.00 C ATOM 575 CG GLN A 40 -7.616 6.421 5.340 1.00 0.00 C ATOM 576 CD GLN A 40 -6.505 6.162 6.359 1.00 0.00 C ATOM 577 OE1 GLN A 40 -6.727 6.103 7.557 1.00 0.00 O ATOM 578 NE2 GLN A 40 -5.299 6.012 5.818 1.00 0.00 N ATOM 0 H GLN A 40 -11.354 7.111 6.070 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.321 8.890 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.600 7.499 6.928 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.504 6.119 6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.849 5.498 4.808 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.272 7.139 4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.183 6.073 4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.491 5.836 6.415 1.00 0.00 H new ATOM 587 N LYS A 41 -9.898 6.341 3.241 1.00 0.00 N ATOM 588 CA LYS A 41 -9.729 5.869 1.877 1.00 0.00 C ATOM 589 C LYS A 41 -9.880 7.047 0.912 1.00 0.00 C ATOM 590 O LYS A 41 -8.979 7.329 0.124 1.00 0.00 O ATOM 591 CB LYS A 41 -10.686 4.711 1.588 1.00 0.00 C ATOM 592 CG LYS A 41 -10.672 4.346 0.102 1.00 0.00 C ATOM 593 CD LYS A 41 -11.924 3.554 -0.279 1.00 0.00 C ATOM 594 CE LYS A 41 -13.172 4.437 -0.219 1.00 0.00 C ATOM 595 NZ LYS A 41 -13.568 4.868 -1.578 1.00 0.00 N ATOM 0 H LYS A 41 -10.413 5.706 3.851 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.726 5.466 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.402 3.843 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.697 4.986 1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.615 5.254 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.782 3.758 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.810 3.148 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.041 2.706 0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.990 3.889 0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.977 5.310 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.605 4.904 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.176 5.812 -1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.201 4.191 -2.277 1.00 0.00 H new ATOM 609 N ASN A 42 -11.027 7.704 1.007 1.00 0.00 N ATOM 610 CA ASN A 42 -11.308 8.845 0.152 1.00 0.00 C ATOM 611 C ASN A 42 -10.143 9.834 0.230 1.00 0.00 C ATOM 612 O ASN A 42 -9.656 10.306 -0.796 1.00 0.00 O ATOM 613 CB ASN A 42 -12.576 9.572 0.604 1.00 0.00 C ATOM 614 CG ASN A 42 -13.821 8.950 -0.032 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.213 9.277 -1.140 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.418 8.037 0.728 1.00 0.00 N ATOM 0 H ASN A 42 -11.772 7.468 1.663 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.445 8.479 -0.865 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.657 9.528 1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.512 10.626 0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.257 7.563 0.392 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.037 7.810 1.647 1.00 0.00 H new ATOM 623 N ARG A 43 -9.731 10.119 1.456 1.00 0.00 N ATOM 624 CA ARG A 43 -8.633 11.043 1.681 1.00 0.00 C ATOM 625 C ARG A 43 -7.386 10.580 0.924 1.00 0.00 C ATOM 626 O ARG A 43 -6.578 11.400 0.492 1.00 0.00 O ATOM 627 CB ARG A 43 -8.304 11.156 3.171 1.00 0.00 C ATOM 628 CG ARG A 43 -9.482 11.742 3.950 1.00 0.00 C ATOM 629 CD ARG A 43 -9.043 12.945 4.787 1.00 0.00 C ATOM 630 NE ARG A 43 -10.220 13.577 5.423 1.00 0.00 N ATOM 631 CZ ARG A 43 -10.165 14.688 6.169 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.990 15.298 6.377 1.00 0.00 N ATOM 633 NH2 ARG A 43 -11.285 15.190 6.707 1.00 0.00 N ATOM 0 H ARG A 43 -10.138 9.726 2.305 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.943 12.021 1.314 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.055 10.172 3.568 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.425 11.786 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.267 12.044 3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.908 10.978 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.334 12.627 5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.528 13.669 4.156 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.131 13.139 5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.138 14.916 5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.948 16.144 6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.179 14.726 6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.243 16.036 7.275 1.00 0.00 H new ATOM 647 N ILE A 44 -7.269 9.267 0.787 1.00 0.00 N ATOM 648 CA ILE A 44 -6.135 8.685 0.090 1.00 0.00 C ATOM 649 C ILE A 44 -6.293 8.918 -1.414 1.00 0.00 C ATOM 650 O ILE A 44 -5.399 9.466 -2.058 1.00 0.00 O ATOM 651 CB ILE A 44 -5.970 7.213 0.471 1.00 0.00 C ATOM 652 CG1 ILE A 44 -6.116 7.018 1.981 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.645 6.656 -0.054 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.423 8.145 2.750 1.00 0.00 C ATOM 0 H ILE A 44 -7.941 8.590 1.147 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.209 9.174 0.393 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.769 6.645 -0.005 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.173 6.988 2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.687 6.059 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.553 5.608 0.231 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.620 6.741 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.817 7.222 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.542 7.982 3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.362 8.157 2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.870 9.101 2.477 1.00 0.00 H new ATOM 666 N LEU A 45 -7.435 8.489 -1.930 1.00 0.00 N ATOM 667 CA LEU A 45 -7.721 8.643 -3.346 1.00 0.00 C ATOM 668 C LEU A 45 -7.360 10.064 -3.784 1.00 0.00 C ATOM 669 O LEU A 45 -6.642 10.252 -4.764 1.00 0.00 O ATOM 670 CB LEU A 45 -9.171 8.258 -3.645 1.00 0.00 C ATOM 671 CG LEU A 45 -9.511 6.772 -3.515 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.268 5.954 -3.157 1.00 0.00 C ATOM 673 CD2 LEU A 45 -10.648 6.555 -2.514 1.00 0.00 C ATOM 0 H LEU A 45 -8.173 8.035 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.106 7.962 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.821 8.819 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.409 8.577 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.862 6.416 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.538 4.901 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.517 6.073 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.863 6.304 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.870 5.490 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.349 6.932 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.537 7.088 -2.852 1.00 0.00 H new ATOM 685 N GLU A 46 -7.874 11.028 -3.034 1.00 0.00 N ATOM 686 CA GLU A 46 -7.615 12.426 -3.332 1.00 0.00 C ATOM 687 C GLU A 46 -6.108 12.693 -3.357 1.00 0.00 C ATOM 688 O GLU A 46 -5.554 13.044 -4.398 1.00 0.00 O ATOM 689 CB GLU A 46 -8.316 13.341 -2.326 1.00 0.00 C ATOM 690 CG GLU A 46 -9.768 12.907 -2.110 1.00 0.00 C ATOM 691 CD GLU A 46 -10.737 14.029 -2.487 1.00 0.00 C ATOM 692 OE1 GLU A 46 -10.604 15.118 -1.889 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.590 13.771 -3.363 1.00 0.00 O ATOM 0 H GLU A 46 -8.468 10.868 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.021 12.647 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.781 13.321 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.290 14.370 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.980 12.022 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.917 12.628 -1.067 1.00 0.00 H new ATOM 700 N GLU A 47 -5.489 12.516 -2.199 1.00 0.00 N ATOM 701 CA GLU A 47 -4.057 12.734 -2.076 1.00 0.00 C ATOM 702 C GLU A 47 -3.333 12.222 -3.322 1.00 0.00 C ATOM 703 O GLU A 47 -2.512 12.931 -3.903 1.00 0.00 O ATOM 704 CB GLU A 47 -3.509 12.069 -0.811 1.00 0.00 C ATOM 705 CG GLU A 47 -3.814 12.913 0.428 1.00 0.00 C ATOM 706 CD GLU A 47 -2.841 14.088 0.544 1.00 0.00 C ATOM 707 OE1 GLU A 47 -1.622 13.814 0.582 1.00 0.00 O ATOM 708 OE2 GLU A 47 -3.338 15.234 0.591 1.00 0.00 O ATOM 0 H GLU A 47 -5.952 12.224 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.878 13.806 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.948 11.078 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.432 11.931 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.837 13.287 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.748 12.292 1.321 1.00 0.00 H new ATOM 715 N ILE A 48 -3.663 10.994 -3.697 1.00 0.00 N ATOM 716 CA ILE A 48 -3.054 10.379 -4.864 1.00 0.00 C ATOM 717 C ILE A 48 -3.390 11.208 -6.106 1.00 0.00 C ATOM 718 O ILE A 48 -2.511 11.513 -6.910 1.00 0.00 O ATOM 719 CB ILE A 48 -3.470 8.911 -4.974 1.00 0.00 C ATOM 720 CG1 ILE A 48 -3.129 8.147 -3.693 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.852 8.258 -6.212 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.815 6.780 -3.671 1.00 0.00 C ATOM 0 H ILE A 48 -4.344 10.409 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.968 10.373 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.553 8.871 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.049 8.017 -3.619 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.440 8.728 -2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.163 7.215 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.187 8.784 -7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.765 8.309 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.556 6.258 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.896 6.914 -3.720 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.483 6.192 -4.527 1.00 0.00 H new ATOM 734 N GLU A 49 -4.665 11.550 -6.223 1.00 0.00 N ATOM 735 CA GLU A 49 -5.128 12.337 -7.353 1.00 0.00 C ATOM 736 C GLU A 49 -4.464 13.716 -7.347 1.00 0.00 C ATOM 737 O GLU A 49 -4.186 14.279 -8.404 1.00 0.00 O ATOM 738 CB GLU A 49 -6.653 12.463 -7.345 1.00 0.00 C ATOM 739 CG GLU A 49 -7.315 11.121 -7.663 1.00 0.00 C ATOM 740 CD GLU A 49 -8.569 11.317 -8.518 1.00 0.00 C ATOM 741 OE1 GLU A 49 -8.520 12.199 -9.403 1.00 0.00 O ATOM 742 OE2 GLU A 49 -9.547 10.581 -8.267 1.00 0.00 O ATOM 0 H GLU A 49 -5.392 11.296 -5.554 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.843 11.822 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.987 12.815 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.964 13.209 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.609 10.479 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.579 10.613 -6.736 1.00 0.00 H new ATOM 749 N LYS A 50 -4.229 14.219 -6.144 1.00 0.00 N ATOM 750 CA LYS A 50 -3.602 15.520 -5.986 1.00 0.00 C ATOM 751 C LYS A 50 -2.095 15.387 -6.212 1.00 0.00 C ATOM 752 O LYS A 50 -1.449 16.322 -6.684 1.00 0.00 O ATOM 753 CB LYS A 50 -3.970 16.131 -4.633 1.00 0.00 C ATOM 754 CG LYS A 50 -2.765 16.137 -3.689 1.00 0.00 C ATOM 755 CD LYS A 50 -3.173 16.579 -2.282 1.00 0.00 C ATOM 756 CE LYS A 50 -4.041 17.838 -2.333 1.00 0.00 C ATOM 757 NZ LYS A 50 -3.733 18.726 -1.189 1.00 0.00 N ATOM 0 H LYS A 50 -4.462 13.749 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.976 16.216 -6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.330 17.150 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.786 15.565 -4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.326 15.140 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.998 16.808 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.720 15.776 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.282 16.771 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.868 18.368 -3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.095 17.561 -2.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.331 19.576 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.920 18.222 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.732 19.004 -1.225 1.00 0.00 H new ATOM 771 N SER A 51 -1.578 14.217 -5.865 1.00 0.00 N ATOM 772 CA SER A 51 -0.159 13.950 -6.024 1.00 0.00 C ATOM 773 C SER A 51 0.180 13.789 -7.507 1.00 0.00 C ATOM 774 O SER A 51 -0.528 13.098 -8.238 1.00 0.00 O ATOM 775 CB SER A 51 0.257 12.700 -5.246 1.00 0.00 C ATOM 776 OG SER A 51 1.662 12.655 -5.018 1.00 0.00 O ATOM 0 H SER A 51 -2.117 13.444 -5.475 1.00 0.00 H new ATOM 0 HA SER A 51 0.396 14.797 -5.621 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.266 12.678 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.049 11.811 -5.798 1.00 0.00 H new ATOM 0 HG SER A 51 1.889 13.235 -4.262 1.00 0.00 H new ATOM 782 N LYS A 52 1.264 14.437 -7.907 1.00 0.00 N ATOM 783 CA LYS A 52 1.706 14.374 -9.290 1.00 0.00 C ATOM 784 C LYS A 52 2.716 13.236 -9.447 1.00 0.00 C ATOM 785 O LYS A 52 3.519 13.238 -10.379 1.00 0.00 O ATOM 786 CB LYS A 52 2.238 15.735 -9.745 1.00 0.00 C ATOM 787 CG LYS A 52 1.423 16.277 -10.921 1.00 0.00 C ATOM 788 CD LYS A 52 1.772 15.540 -12.216 1.00 0.00 C ATOM 789 CE LYS A 52 0.545 15.408 -13.120 1.00 0.00 C ATOM 790 NZ LYS A 52 0.956 15.288 -14.537 1.00 0.00 N ATOM 0 H LYS A 52 1.849 15.008 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 52 0.867 14.149 -9.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.199 16.441 -8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.284 15.642 -10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.359 16.168 -10.712 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.616 17.343 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.560 16.077 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.163 14.550 -11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.036 14.533 -12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.101 16.277 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.111 15.199 -15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.492 16.135 -14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.554 14.446 -14.655 1.00 0.00 H new ATOM 804 N ALA A 53 2.642 12.291 -8.522 1.00 0.00 N ATOM 805 CA ALA A 53 3.540 11.148 -8.546 1.00 0.00 C ATOM 806 C ALA A 53 2.825 9.957 -9.185 1.00 0.00 C ATOM 807 O ALA A 53 1.600 9.863 -9.134 1.00 0.00 O ATOM 808 CB ALA A 53 4.020 10.846 -7.125 1.00 0.00 C ATOM 0 H ALA A 53 1.974 12.293 -7.751 1.00 0.00 H new ATOM 0 HA ALA A 53 4.422 11.365 -9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.693 9.989 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.547 11.713 -6.727 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.162 10.620 -6.491 1.00 0.00 H new ATOM 814 N ASN A 54 3.621 9.076 -9.774 1.00 0.00 N ATOM 815 CA ASN A 54 3.080 7.894 -10.423 1.00 0.00 C ATOM 816 C ASN A 54 3.460 6.653 -9.613 1.00 0.00 C ATOM 817 O ASN A 54 3.126 5.532 -9.994 1.00 0.00 O ATOM 818 CB ASN A 54 3.649 7.731 -11.833 1.00 0.00 C ATOM 819 CG ASN A 54 3.602 9.054 -12.600 1.00 0.00 C ATOM 820 OD1 ASN A 54 4.520 9.419 -13.316 1.00 0.00 O ATOM 821 ND2 ASN A 54 2.483 9.748 -12.412 1.00 0.00 N ATOM 0 H ASN A 54 4.637 9.158 -9.815 1.00 0.00 H new ATOM 0 HA ASN A 54 1.998 8.008 -10.482 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.678 7.377 -11.775 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.081 6.973 -12.373 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.354 10.644 -12.881 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.754 9.384 -11.799 1.00 0.00 H new ATOM 828 N HIS A 55 4.154 6.895 -8.510 1.00 0.00 N ATOM 829 CA HIS A 55 4.583 5.811 -7.643 1.00 0.00 C ATOM 830 C HIS A 55 3.939 5.971 -6.264 1.00 0.00 C ATOM 831 O HIS A 55 4.044 7.029 -5.645 1.00 0.00 O ATOM 832 CB HIS A 55 6.110 5.739 -7.579 1.00 0.00 C ATOM 833 CG HIS A 55 6.645 4.374 -7.216 1.00 0.00 C ATOM 834 ND1 HIS A 55 7.956 3.996 -7.452 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.035 3.304 -6.630 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.115 2.752 -7.025 1.00 0.00 C ATOM 837 NE2 HIS A 55 6.923 2.325 -6.517 1.00 0.00 N ATOM 0 H HIS A 55 4.430 7.826 -8.197 1.00 0.00 H new ATOM 0 HA HIS A 55 4.249 4.858 -8.053 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.518 6.033 -8.546 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.468 6.464 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.004 3.261 -6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.028 2.177 -7.071 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.744 1.404 -6.116 1.00 0.00 H new ATOM 845 N PHE A 56 3.288 4.905 -5.823 1.00 0.00 N ATOM 846 CA PHE A 56 2.628 4.913 -4.529 1.00 0.00 C ATOM 847 C PHE A 56 2.767 3.558 -3.834 1.00 0.00 C ATOM 848 O PHE A 56 2.370 2.531 -4.382 1.00 0.00 O ATOM 849 CB PHE A 56 1.145 5.192 -4.785 1.00 0.00 C ATOM 850 CG PHE A 56 0.868 6.562 -5.409 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.720 7.654 -4.612 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.770 6.687 -6.759 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.463 8.925 -5.190 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.512 7.958 -7.338 1.00 0.00 C ATOM 855 CZ PHE A 56 0.364 9.050 -6.541 1.00 0.00 C ATOM 0 H PHE A 56 3.203 4.029 -6.339 1.00 0.00 H new ATOM 0 HA PHE A 56 3.079 5.669 -3.886 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.748 4.418 -5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.604 5.118 -3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.798 7.554 -3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.888 5.820 -7.391 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.346 9.792 -4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.433 8.057 -8.411 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.168 10.017 -6.981 1.00 0.00 H new ATOM 865 N LEU A 57 3.332 3.599 -2.636 1.00 0.00 N ATOM 866 CA LEU A 57 3.528 2.386 -1.859 1.00 0.00 C ATOM 867 C LEU A 57 2.545 2.371 -0.688 1.00 0.00 C ATOM 868 O LEU A 57 1.878 3.370 -0.419 1.00 0.00 O ATOM 869 CB LEU A 57 4.992 2.253 -1.435 1.00 0.00 C ATOM 870 CG LEU A 57 5.940 1.653 -2.476 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.539 2.745 -3.365 1.00 0.00 C ATOM 872 CD2 LEU A 57 7.021 0.802 -1.807 1.00 0.00 C ATOM 0 H LEU A 57 3.660 4.453 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 57 3.314 1.506 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.362 3.241 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.035 1.638 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 57 5.363 0.991 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.209 2.292 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.738 3.272 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.097 3.450 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.681 0.387 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.601 1.422 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.553 -0.011 -1.252 1.00 0.00 H new ATOM 884 N ILE A 58 2.485 1.227 -0.021 1.00 0.00 N ATOM 885 CA ILE A 58 1.594 1.069 1.116 1.00 0.00 C ATOM 886 C ILE A 58 2.417 0.728 2.359 1.00 0.00 C ATOM 887 O ILE A 58 3.185 -0.233 2.355 1.00 0.00 O ATOM 888 CB ILE A 58 0.501 0.046 0.802 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.342 0.494 -0.394 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.359 -0.234 2.036 1.00 0.00 C ATOM 891 CD1 ILE A 58 -1.047 -0.698 -1.045 1.00 0.00 C ATOM 0 H ILE A 58 3.039 0.401 -0.247 1.00 0.00 H new ATOM 0 HA ILE A 58 1.073 2.003 1.325 1.00 0.00 H new ATOM 0 HB ILE A 58 0.981 -0.892 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.082 1.225 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.295 0.989 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.128 -0.964 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.269 -0.628 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.831 0.691 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.639 -0.352 -1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.303 -1.416 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.701 -1.176 -0.316 1.00 0.00 H new ATOM 903 N LEU A 59 2.228 1.533 3.395 1.00 0.00 N ATOM 904 CA LEU A 59 2.943 1.328 4.643 1.00 0.00 C ATOM 905 C LEU A 59 2.154 0.359 5.525 1.00 0.00 C ATOM 906 O LEU A 59 0.965 0.563 5.768 1.00 0.00 O ATOM 907 CB LEU A 59 3.242 2.669 5.316 1.00 0.00 C ATOM 908 CG LEU A 59 4.290 2.642 6.430 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.679 2.329 5.868 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.276 3.947 7.228 1.00 0.00 C ATOM 0 H LEU A 59 1.590 2.329 3.395 1.00 0.00 H new ATOM 0 HA LEU A 59 3.914 0.869 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.572 3.371 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.312 3.061 5.728 1.00 0.00 H new ATOM 0 HG LEU A 59 4.033 1.839 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.406 2.316 6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.663 1.355 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.959 3.093 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.030 3.901 8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.495 4.782 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.293 4.088 7.677 1.00 0.00 H new ATOM 922 N PHE A 60 2.846 -0.674 5.981 1.00 0.00 N ATOM 923 CA PHE A 60 2.224 -1.675 6.831 1.00 0.00 C ATOM 924 C PHE A 60 2.919 -1.747 8.192 1.00 0.00 C ATOM 925 O PHE A 60 3.991 -1.172 8.377 1.00 0.00 O ATOM 926 CB PHE A 60 2.378 -3.022 6.122 1.00 0.00 C ATOM 927 CG PHE A 60 1.869 -3.027 4.679 1.00 0.00 C ATOM 928 CD1 PHE A 60 2.669 -2.581 3.674 1.00 0.00 C ATOM 929 CD2 PHE A 60 0.616 -3.478 4.401 1.00 0.00 C ATOM 930 CE1 PHE A 60 2.197 -2.586 2.335 1.00 0.00 C ATOM 931 CE2 PHE A 60 0.144 -3.483 3.062 1.00 0.00 C ATOM 932 CZ PHE A 60 0.944 -3.037 2.057 1.00 0.00 C ATOM 0 H PHE A 60 3.832 -0.840 5.778 1.00 0.00 H new ATOM 0 HA PHE A 60 1.178 -1.421 7.000 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.431 -3.305 6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.841 -3.783 6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.664 -2.223 3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.020 -3.832 5.199 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.833 -2.232 1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.851 -3.841 2.842 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.585 -3.041 1.038 1.00 0.00 H new ATOM 942 N ARG A 61 2.281 -2.457 9.110 1.00 0.00 N ATOM 943 CA ARG A 61 2.824 -2.611 10.449 1.00 0.00 C ATOM 944 C ARG A 61 3.868 -3.730 10.472 1.00 0.00 C ATOM 945 O ARG A 61 4.852 -3.650 11.206 1.00 0.00 O ATOM 946 CB ARG A 61 1.720 -2.933 11.458 1.00 0.00 C ATOM 947 CG ARG A 61 2.199 -2.691 12.891 1.00 0.00 C ATOM 948 CD ARG A 61 1.896 -1.259 13.336 1.00 0.00 C ATOM 949 NE ARG A 61 2.818 -0.861 14.423 1.00 0.00 N ATOM 950 CZ ARG A 61 2.552 0.097 15.321 1.00 0.00 C ATOM 951 NH1 ARG A 61 1.390 0.762 15.266 1.00 0.00 N ATOM 952 NH2 ARG A 61 3.448 0.391 16.273 1.00 0.00 N ATOM 0 H ARG A 61 1.392 -2.933 8.953 1.00 0.00 H new ATOM 0 HA ARG A 61 3.291 -1.667 10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.845 -2.316 11.254 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.411 -3.972 11.345 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.712 -3.396 13.565 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.271 -2.877 12.956 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.000 -0.577 12.492 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.864 -1.187 13.679 1.00 0.00 H new ATOM 0 HE ARG A 61 3.712 -1.347 14.493 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.708 0.539 14.541 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.187 1.491 15.949 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.333 -0.115 16.314 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.245 1.120 16.956 1.00 0.00 H new ATOM 1011 N GLN A 66 -2.011 -4.383 7.362 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.997 -3.317 7.317 1.00 0.00 C ATOM 1013 C GLN A 66 -2.330 -1.993 6.938 1.00 0.00 C ATOM 1014 O GLN A 66 -1.261 -1.664 7.448 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.736 -3.197 8.652 1.00 0.00 C ATOM 1016 CG GLN A 66 -2.783 -3.420 9.828 1.00 0.00 C ATOM 1017 CD GLN A 66 -3.558 -3.611 11.133 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -3.886 -2.668 11.834 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -3.832 -4.881 11.418 1.00 0.00 N ATOM 0 HA GLN A 66 -3.734 -3.562 6.552 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.193 -2.211 8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.545 -3.927 8.691 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.163 -4.296 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.110 -2.568 9.922 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.528 -5.622 10.787 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.346 -5.113 12.267 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.990 -1.269 6.046 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.475 0.012 5.593 1.00 0.00 C ATOM 1030 C PHE A 67 -2.231 0.954 6.774 1.00 0.00 C ATOM 1031 O PHE A 67 -3.081 1.087 7.653 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.539 0.624 4.680 1.00 0.00 C ATOM 1033 CG PHE A 67 -3.195 2.028 4.177 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.190 3.077 5.041 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.894 2.225 2.865 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -2.870 4.380 4.575 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.574 3.528 2.399 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.569 4.578 3.263 1.00 0.00 C ATOM 0 H PHE A 67 -3.877 -1.545 5.625 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.527 -0.131 5.075 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.688 -0.032 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.486 0.664 5.219 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.429 2.920 6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.898 1.391 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.866 5.213 5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.334 3.685 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.326 5.569 2.908 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.065 1.583 6.756 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.698 2.508 7.815 1.00 0.00 C ATOM 1050 C ARG A 68 -0.630 3.937 7.271 1.00 0.00 C ATOM 1051 O ARG A 68 -1.060 4.879 7.934 1.00 0.00 O ATOM 1052 CB ARG A 68 0.654 2.137 8.426 1.00 0.00 C ATOM 1053 CG ARG A 68 0.475 1.231 9.646 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.052 2.022 10.844 1.00 0.00 C ATOM 1055 NE ARG A 68 1.062 2.356 11.760 1.00 0.00 N ATOM 1056 CZ ARG A 68 0.899 2.890 12.978 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -0.333 3.155 13.434 1.00 0.00 N ATOM 1058 NH2 ARG A 68 1.968 3.160 13.740 1.00 0.00 N ATOM 0 H ARG A 68 -0.362 1.470 6.025 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.463 2.446 8.589 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.268 1.632 7.680 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.187 3.043 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.217 0.424 9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.428 0.768 9.902 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.538 2.935 10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.806 1.438 11.372 1.00 0.00 H new ATOM 0 HE ARG A 68 2.013 2.168 11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.147 2.950 12.854 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.457 3.561 14.361 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.906 2.959 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.844 3.567 14.667 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.085 4.053 6.069 1.00 0.00 N ATOM 1073 CA ALA A 69 0.046 5.350 5.428 1.00 0.00 C ATOM 1074 C ALA A 69 0.646 5.167 4.033 1.00 0.00 C ATOM 1075 O ALA A 69 1.578 4.385 3.852 1.00 0.00 O ATOM 1076 CB ALA A 69 0.890 6.273 6.310 1.00 0.00 C ATOM 0 H ALA A 69 0.271 3.269 5.522 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.931 5.818 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.988 7.246 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.405 6.394 7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.879 5.837 6.452 1.00 0.00 H new ATOM 1082 N LEU A 70 0.088 5.902 3.082 1.00 0.00 N ATOM 1083 CA LEU A 70 0.557 5.831 1.709 1.00 0.00 C ATOM 1084 C LEU A 70 1.735 6.791 1.526 1.00 0.00 C ATOM 1085 O LEU A 70 1.827 7.804 2.218 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.596 6.080 0.735 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.286 5.847 -0.745 1.00 0.00 C ATOM 1088 CD1 LEU A 70 -0.901 4.534 -1.234 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -0.734 7.039 -1.593 1.00 0.00 C ATOM 0 H LEU A 70 -0.685 6.550 3.236 1.00 0.00 H new ATOM 0 HA LEU A 70 0.923 4.830 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.429 5.436 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.933 7.109 0.858 1.00 0.00 H new ATOM 0 HG LEU A 70 0.795 5.759 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.666 4.393 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.493 3.704 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.983 4.569 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.502 6.848 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.808 7.183 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.211 7.937 -1.264 1.00 0.00 H new ATOM 1101 N TYR A 71 2.604 6.439 0.591 1.00 0.00 N ATOM 1102 CA TYR A 71 3.772 7.257 0.309 1.00 0.00 C ATOM 1103 C TYR A 71 4.094 7.254 -1.187 1.00 0.00 C ATOM 1104 O TYR A 71 3.680 6.352 -1.913 1.00 0.00 O ATOM 1105 CB TYR A 71 4.932 6.613 1.070 1.00 0.00 C ATOM 1106 CG TYR A 71 4.952 6.937 2.565 1.00 0.00 C ATOM 1107 CD1 TYR A 71 4.017 6.369 3.406 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.904 7.797 3.072 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.035 6.674 4.813 1.00 0.00 C ATOM 1110 CE2 TYR A 71 5.922 8.102 4.479 1.00 0.00 C ATOM 1111 CZ TYR A 71 4.987 7.526 5.281 1.00 0.00 C ATOM 1112 OH TYR A 71 5.004 7.814 6.610 1.00 0.00 O ATOM 0 H TYR A 71 2.523 5.599 0.019 1.00 0.00 H new ATOM 0 HA TYR A 71 3.599 8.290 0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.880 5.532 0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.871 6.941 0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.272 5.696 3.009 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.636 8.241 2.414 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.309 6.236 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.662 8.774 4.889 1.00 0.00 H new ATOM 0 HH TYR A 71 4.093 7.763 6.967 1.00 0.00 H new ATOM 1122 N THR A 72 4.831 8.274 -1.603 1.00 0.00 N ATOM 1123 CA THR A 72 5.214 8.400 -2.999 1.00 0.00 C ATOM 1124 C THR A 72 6.729 8.252 -3.152 1.00 0.00 C ATOM 1125 O THR A 72 7.494 8.945 -2.483 1.00 0.00 O ATOM 1126 CB THR A 72 4.678 9.736 -3.517 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.789 10.612 -2.398 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.177 9.692 -3.809 1.00 0.00 C ATOM 0 H THR A 72 5.173 9.020 -0.998 1.00 0.00 H new ATOM 0 HA THR A 72 4.779 7.603 -3.602 1.00 0.00 H new ATOM 0 HB THR A 72 5.215 10.015 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.464 11.503 -2.646 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.849 10.665 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.976 8.934 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.636 9.445 -2.896 1.00 0.00 H new ATOM 1136 N LEU A 73 7.117 7.345 -4.036 1.00 0.00 N ATOM 1137 CA LEU A 73 8.526 7.097 -4.285 1.00 0.00 C ATOM 1138 C LEU A 73 9.052 8.128 -5.286 1.00 0.00 C ATOM 1139 O LEU A 73 8.415 8.389 -6.305 1.00 0.00 O ATOM 1140 CB LEU A 73 8.747 5.647 -4.722 1.00 0.00 C ATOM 1141 CG LEU A 73 10.135 5.317 -5.274 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.232 5.803 -4.325 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.262 3.823 -5.580 1.00 0.00 C ATOM 0 H LEU A 73 6.479 6.773 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 73 9.102 7.220 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.554 4.998 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.007 5.401 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 73 10.264 5.851 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.209 5.556 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.153 6.883 -4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.117 5.317 -3.356 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.258 3.615 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.104 3.250 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.515 3.539 -6.321 1.00 0.00 H new ATOM 1155 N SER A 74 10.209 8.686 -4.960 1.00 0.00 N ATOM 1156 CA SER A 74 10.827 9.682 -5.818 1.00 0.00 C ATOM 1157 C SER A 74 11.597 8.995 -6.947 1.00 0.00 C ATOM 1158 O SER A 74 12.485 8.183 -6.693 1.00 0.00 O ATOM 1159 CB SER A 74 11.759 10.595 -5.019 1.00 0.00 C ATOM 1160 OG SER A 74 11.258 11.926 -4.933 1.00 0.00 O ATOM 0 H SER A 74 10.734 8.467 -4.114 1.00 0.00 H new ATOM 0 HA SER A 74 10.038 10.299 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.889 10.191 -4.015 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.743 10.608 -5.487 1.00 0.00 H new ATOM 0 HG SER A 74 11.881 12.477 -4.414 1.00 0.00 H new ATOM 1166 N GLY A 75 11.228 9.346 -8.170 1.00 0.00 N ATOM 1167 CA GLY A 75 11.873 8.773 -9.340 1.00 0.00 C ATOM 1168 C GLY A 75 13.293 9.319 -9.506 1.00 0.00 C ATOM 1169 O GLY A 75 14.117 8.717 -10.191 1.00 0.00 O ATOM 0 H GLY A 75 10.491 10.020 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.906 7.687 -9.247 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.286 8.999 -10.230 1.00 0.00 H new ATOM 1173 N GLU A 76 13.534 10.455 -8.867 1.00 0.00 N ATOM 1174 CA GLU A 76 14.839 11.089 -8.935 1.00 0.00 C ATOM 1175 C GLU A 76 15.857 10.299 -8.110 1.00 0.00 C ATOM 1176 O GLU A 76 17.043 10.279 -8.435 1.00 0.00 O ATOM 1177 CB GLU A 76 14.767 12.545 -8.469 1.00 0.00 C ATOM 1178 CG GLU A 76 13.945 12.669 -7.185 1.00 0.00 C ATOM 1179 CD GLU A 76 14.538 13.729 -6.255 1.00 0.00 C ATOM 1180 OE1 GLU A 76 15.506 14.389 -6.691 1.00 0.00 O ATOM 1181 OE2 GLU A 76 14.011 13.855 -5.128 1.00 0.00 O ATOM 0 H GLU A 76 12.847 10.952 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 76 15.166 11.091 -9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.774 12.926 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.321 13.159 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.916 12.931 -7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.915 11.707 -6.674 1.00 0.00 H new ATOM 1188 N THR A 77 15.356 9.668 -7.058 1.00 0.00 N ATOM 1189 CA THR A 77 16.207 8.879 -6.184 1.00 0.00 C ATOM 1190 C THR A 77 15.531 7.550 -5.840 1.00 0.00 C ATOM 1191 O THR A 77 14.808 6.987 -6.661 1.00 0.00 O ATOM 1192 CB THR A 77 16.538 9.728 -4.954 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.386 9.602 -4.125 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.604 11.222 -5.275 1.00 0.00 C ATOM 0 H THR A 77 14.372 9.687 -6.791 1.00 0.00 H new ATOM 0 HA THR A 77 17.143 8.615 -6.676 1.00 0.00 H new ATOM 0 HB THR A 77 17.491 9.404 -4.535 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.509 10.133 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 77 16.842 11.779 -4.369 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.377 11.400 -6.023 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.641 11.554 -5.662 1.00 0.00 H new ATOM 1202 N GLU A 78 15.792 7.087 -4.627 1.00 0.00 N ATOM 1203 CA GLU A 78 15.218 5.834 -4.165 1.00 0.00 C ATOM 1204 C GLU A 78 14.401 6.062 -2.891 1.00 0.00 C ATOM 1205 O GLU A 78 13.779 5.135 -2.374 1.00 0.00 O ATOM 1206 CB GLU A 78 16.307 4.783 -3.937 1.00 0.00 C ATOM 1207 CG GLU A 78 17.099 4.528 -5.221 1.00 0.00 C ATOM 1208 CD GLU A 78 18.171 3.459 -5.000 1.00 0.00 C ATOM 1209 OE1 GLU A 78 19.256 3.836 -4.507 1.00 0.00 O ATOM 1210 OE2 GLU A 78 17.881 2.288 -5.329 1.00 0.00 O ATOM 0 H GLU A 78 16.393 7.556 -3.950 1.00 0.00 H new ATOM 0 HA GLU A 78 14.550 5.456 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.982 5.118 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.854 3.853 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.421 4.210 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.567 5.454 -5.554 1.00 0.00 H new ATOM 1217 N GLU A 79 14.429 7.301 -2.422 1.00 0.00 N ATOM 1218 CA GLU A 79 13.699 7.662 -1.219 1.00 0.00 C ATOM 1219 C GLU A 79 12.226 7.913 -1.547 1.00 0.00 C ATOM 1220 O GLU A 79 11.873 8.134 -2.705 1.00 0.00 O ATOM 1221 CB GLU A 79 14.326 8.884 -0.543 1.00 0.00 C ATOM 1222 CG GLU A 79 15.670 8.528 0.095 1.00 0.00 C ATOM 1223 CD GLU A 79 16.736 8.279 -0.974 1.00 0.00 C ATOM 1224 OE1 GLU A 79 16.983 9.220 -1.759 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.280 7.154 -0.982 1.00 0.00 O ATOM 0 H GLU A 79 14.946 8.067 -2.854 1.00 0.00 H new ATOM 0 HA GLU A 79 13.758 6.829 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.467 9.678 -1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.649 9.270 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.990 9.337 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.558 7.639 0.716 1.00 0.00 H new ATOM 1232 N LEU A 80 11.405 7.870 -0.508 1.00 0.00 N ATOM 1233 CA LEU A 80 9.978 8.089 -0.671 1.00 0.00 C ATOM 1234 C LEU A 80 9.594 9.421 -0.023 1.00 0.00 C ATOM 1235 O LEU A 80 10.463 10.209 0.346 1.00 0.00 O ATOM 1236 CB LEU A 80 9.188 6.894 -0.135 1.00 0.00 C ATOM 1237 CG LEU A 80 9.434 5.557 -0.837 1.00 0.00 C ATOM 1238 CD1 LEU A 80 10.074 4.547 0.117 1.00 0.00 C ATOM 1239 CD2 LEU A 80 8.145 5.019 -1.461 1.00 0.00 C ATOM 0 H LEU A 80 11.701 7.687 0.451 1.00 0.00 H new ATOM 0 HA LEU A 80 9.722 8.162 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.422 6.774 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.125 7.127 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 80 10.140 5.724 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.238 3.605 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.028 4.936 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.412 4.379 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.348 4.068 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.397 4.871 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.769 5.734 -2.193 1.00 0.00 H new ATOM 1251 N SER A 81 8.291 9.631 0.095 1.00 0.00 N ATOM 1252 CA SER A 81 7.782 10.854 0.691 1.00 0.00 C ATOM 1253 C SER A 81 6.415 10.595 1.328 1.00 0.00 C ATOM 1254 O SER A 81 5.553 9.960 0.721 1.00 0.00 O ATOM 1255 CB SER A 81 7.680 11.973 -0.348 1.00 0.00 C ATOM 1256 OG SER A 81 7.111 13.159 0.199 1.00 0.00 O ATOM 0 H SER A 81 7.573 8.975 -0.212 1.00 0.00 H new ATOM 0 HA SER A 81 8.481 11.175 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.672 12.195 -0.741 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.073 11.634 -1.188 1.00 0.00 H new ATOM 0 HG SER A 81 7.065 13.850 -0.495 1.00 0.00 H new ATOM 1262 N ARG A 82 6.259 11.100 2.543 1.00 0.00 N ATOM 1263 CA ARG A 82 5.011 10.932 3.269 1.00 0.00 C ATOM 1264 C ARG A 82 3.887 11.708 2.580 1.00 0.00 C ATOM 1265 O ARG A 82 3.774 12.921 2.744 1.00 0.00 O ATOM 1266 CB ARG A 82 5.145 11.416 4.714 1.00 0.00 C ATOM 1267 CG ARG A 82 3.802 11.343 5.443 1.00 0.00 C ATOM 1268 CD ARG A 82 3.894 11.988 6.827 1.00 0.00 C ATOM 1269 NE ARG A 82 2.798 12.967 7.003 1.00 0.00 N ATOM 1270 CZ ARG A 82 2.815 14.211 6.506 1.00 0.00 C ATOM 1271 NH1 ARG A 82 3.871 14.635 5.799 1.00 0.00 N ATOM 1272 NH2 ARG A 82 1.776 15.030 6.715 1.00 0.00 N ATOM 0 H ARG A 82 6.976 11.626 3.043 1.00 0.00 H new ATOM 0 HA ARG A 82 4.772 9.869 3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.881 10.807 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.514 12.442 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.036 11.847 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.494 10.302 5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.835 11.221 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.858 12.484 6.943 1.00 0.00 H new ATOM 0 HE ARG A 82 1.978 12.676 7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.662 14.011 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.884 15.582 5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.972 14.707 7.253 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.789 15.977 6.337 1.00 0.00 H new ATOM 1286 N LEU A 83 3.084 10.975 1.822 1.00 0.00 N ATOM 1287 CA LEU A 83 1.972 11.579 1.107 1.00 0.00 C ATOM 1288 C LEU A 83 0.854 11.909 2.097 1.00 0.00 C ATOM 1289 O LEU A 83 0.503 13.074 2.278 1.00 0.00 O ATOM 1290 CB LEU A 83 1.526 10.681 -0.048 1.00 0.00 C ATOM 1291 CG LEU A 83 0.393 11.224 -0.921 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.786 12.555 -1.564 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.040 10.190 -1.962 1.00 0.00 C ATOM 0 H LEU A 83 3.181 9.969 1.687 1.00 0.00 H new ATOM 0 HA LEU A 83 2.280 12.519 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.389 10.488 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.213 9.722 0.364 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.468 11.418 -0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.037 12.919 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.007 13.284 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.669 12.411 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.846 10.601 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.806 9.942 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.389 9.289 -1.457 1.00 0.00 H new ATOM 1305 N ALA A 84 0.324 10.862 2.713 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.748 11.026 3.680 1.00 0.00 C ATOM 1307 C ALA A 84 -0.647 9.926 4.738 1.00 0.00 C ATOM 1308 O ALA A 84 0.087 8.955 4.561 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.096 11.016 2.955 1.00 0.00 C ATOM 0 H ALA A 84 0.617 9.897 2.561 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.660 11.985 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.900 11.139 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.128 11.834 2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.221 10.068 2.432 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.395 10.115 5.816 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.398 9.150 6.903 1.00 0.00 C ATOM 1317 C GLY A 85 -0.667 9.702 8.128 1.00 0.00 C ATOM 1318 O GLY A 85 -1.108 10.679 8.731 1.00 0.00 O ATOM 0 H GLY A 85 -2.003 10.922 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.425 8.901 7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.920 8.227 6.576 1.00 0.00 H new ATOM 1322 N TYR A 86 0.440 9.053 8.459 1.00 0.00 N ATOM 1323 CA TYR A 86 1.237 9.467 9.601 1.00 0.00 C ATOM 1324 C TYR A 86 2.451 8.554 9.782 1.00 0.00 C ATOM 1325 O TYR A 86 2.303 7.367 10.068 1.00 0.00 O ATOM 1326 CB TYR A 86 0.326 9.331 10.822 1.00 0.00 C ATOM 1327 CG TYR A 86 1.041 9.539 12.159 1.00 0.00 C ATOM 1328 CD1 TYR A 86 1.235 10.816 12.647 1.00 0.00 C ATOM 1329 CD2 TYR A 86 1.493 8.450 12.876 1.00 0.00 C ATOM 1330 CE1 TYR A 86 1.908 11.011 13.904 1.00 0.00 C ATOM 1331 CE2 TYR A 86 2.167 8.646 14.134 1.00 0.00 C ATOM 1332 CZ TYR A 86 2.341 9.917 14.586 1.00 0.00 C ATOM 1333 OH TYR A 86 2.977 10.101 15.774 1.00 0.00 O ATOM 0 H TYR A 86 0.804 8.243 7.956 1.00 0.00 H new ATOM 0 HA TYR A 86 1.604 10.484 9.464 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.485 10.054 10.739 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.128 8.340 10.815 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.882 11.668 12.086 1.00 0.00 H new ATOM 0 HD2 TYR A 86 1.342 7.451 12.494 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.066 12.004 14.297 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.526 7.803 14.705 1.00 0.00 H new ATOM 0 HH TYR A 86 3.229 9.231 16.148 1.00 0.00 H new ATOM 1343 N GLY A 87 3.625 9.142 9.606 1.00 0.00 N ATOM 1344 CA GLY A 87 4.865 8.397 9.746 1.00 0.00 C ATOM 1345 C GLY A 87 6.078 9.315 9.588 1.00 0.00 C ATOM 1346 O GLY A 87 6.012 10.499 9.915 1.00 0.00 O ATOM 0 H GLY A 87 3.744 10.127 9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.895 7.914 10.723 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.904 7.605 8.998 1.00 0.00 H new ATOM 1350 N PRO A 88 7.186 8.719 9.072 1.00 0.00 N ATOM 1351 CA PRO A 88 8.413 9.471 8.866 1.00 0.00 C ATOM 1352 C PRO A 88 8.296 10.387 7.647 1.00 0.00 C ATOM 1353 O PRO A 88 7.955 9.934 6.555 1.00 0.00 O ATOM 1354 CB PRO A 88 9.499 8.418 8.716 1.00 0.00 C ATOM 1355 CG PRO A 88 8.779 7.122 8.379 1.00 0.00 C ATOM 1356 CD PRO A 88 7.301 7.319 8.673 1.00 0.00 C ATOM 0 HA PRO A 88 8.639 10.142 9.694 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.201 8.691 7.928 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.075 8.317 9.636 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.928 6.864 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.179 6.298 8.970 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.691 7.106 7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.963 6.652 9.466 1.00 0.00 H new ATOM 1364 N ARG A 89 8.586 11.660 7.873 1.00 0.00 N ATOM 1365 CA ARG A 89 8.518 12.644 6.806 1.00 0.00 C ATOM 1366 C ARG A 89 8.989 12.030 5.487 1.00 0.00 C ATOM 1367 O ARG A 89 8.399 12.279 4.436 1.00 0.00 O ATOM 1368 CB ARG A 89 9.379 13.867 7.129 1.00 0.00 C ATOM 1369 CG ARG A 89 9.146 14.986 6.112 1.00 0.00 C ATOM 1370 CD ARG A 89 9.843 16.276 6.548 1.00 0.00 C ATOM 1371 NE ARG A 89 9.686 17.313 5.503 1.00 0.00 N ATOM 1372 CZ ARG A 89 10.258 18.524 5.555 1.00 0.00 C ATOM 1373 NH1 ARG A 89 11.028 18.857 6.600 1.00 0.00 N ATOM 1374 NH2 ARG A 89 10.061 19.401 4.561 1.00 0.00 N ATOM 0 H ARG A 89 8.869 12.033 8.779 1.00 0.00 H new ATOM 0 HA ARG A 89 7.479 12.960 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 89 9.145 14.227 8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.432 13.585 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.520 14.678 5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.077 15.165 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.419 16.628 7.488 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.901 16.085 6.727 1.00 0.00 H new ATOM 0 HE ARG A 89 9.107 17.092 4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.179 18.189 7.356 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.463 19.779 6.640 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.476 19.147 3.765 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.496 20.323 4.600 1.00 0.00 H new ATOM 1388 N THR A 90 10.048 11.240 5.583 1.00 0.00 N ATOM 1389 CA THR A 90 10.605 10.588 4.410 1.00 0.00 C ATOM 1390 C THR A 90 11.034 9.159 4.747 1.00 0.00 C ATOM 1391 O THR A 90 11.086 8.782 5.917 1.00 0.00 O ATOM 1392 CB THR A 90 11.749 11.458 3.885 1.00 0.00 C ATOM 1393 OG1 THR A 90 11.091 12.532 3.219 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.549 10.767 2.779 1.00 0.00 C ATOM 0 H THR A 90 10.535 11.036 6.456 1.00 0.00 H new ATOM 0 HA THR A 90 9.861 10.492 3.620 1.00 0.00 H new ATOM 0 HB THR A 90 12.416 11.717 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.759 13.146 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.348 11.427 2.442 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.980 9.843 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.890 10.538 1.942 1.00 0.00 H new ATOM 1402 N VAL A 91 11.329 8.401 3.701 1.00 0.00 N ATOM 1403 CA VAL A 91 11.752 7.022 3.871 1.00 0.00 C ATOM 1404 C VAL A 91 12.900 6.722 2.906 1.00 0.00 C ATOM 1405 O VAL A 91 12.981 7.312 1.830 1.00 0.00 O ATOM 1406 CB VAL A 91 10.558 6.083 3.690 1.00 0.00 C ATOM 1407 CG1 VAL A 91 11.018 4.629 3.563 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.556 6.242 4.835 1.00 0.00 C ATOM 0 H VAL A 91 11.283 8.716 2.732 1.00 0.00 H new ATOM 0 HA VAL A 91 12.127 6.859 4.882 1.00 0.00 H new ATOM 0 HB VAL A 91 10.054 6.358 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.150 3.983 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.675 4.529 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.558 4.338 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.717 5.563 4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.044 6.007 5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.192 7.269 4.860 1.00 0.00 H new ATOM 1418 N THR A 92 13.760 5.805 3.326 1.00 0.00 N ATOM 1419 CA THR A 92 14.900 5.419 2.512 1.00 0.00 C ATOM 1420 C THR A 92 14.895 3.909 2.268 1.00 0.00 C ATOM 1421 O THR A 92 14.201 3.167 2.962 1.00 0.00 O ATOM 1422 CB THR A 92 16.168 5.919 3.207 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.372 4.988 4.267 1.00 0.00 O ATOM 1424 CG2 THR A 92 15.956 7.256 3.921 1.00 0.00 C ATOM 0 H THR A 92 13.690 5.318 4.220 1.00 0.00 H new ATOM 0 HA THR A 92 14.853 5.875 1.523 1.00 0.00 H new ATOM 0 HB THR A 92 16.968 6.022 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.176 5.236 4.770 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.886 7.566 4.397 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.651 8.011 3.197 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.180 7.145 4.678 1.00 0.00 H new ATOM 1432 N PRO A 93 15.699 3.487 1.256 1.00 0.00 N ATOM 1433 CA PRO A 93 15.794 2.079 0.912 1.00 0.00 C ATOM 1434 C PRO A 93 16.634 1.319 1.941 1.00 0.00 C ATOM 1435 O PRO A 93 16.717 0.092 1.896 1.00 0.00 O ATOM 1436 CB PRO A 93 16.398 2.054 -0.482 1.00 0.00 C ATOM 1437 CG PRO A 93 17.046 3.414 -0.680 1.00 0.00 C ATOM 1438 CD PRO A 93 16.536 4.337 0.414 1.00 0.00 C ATOM 0 HA PRO A 93 14.826 1.578 0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.133 1.254 -0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.632 1.873 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.132 3.330 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.800 3.815 -1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.359 4.770 0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.965 5.167 -0.002 1.00 0.00 H new ATOM 1446 N ALA A 94 17.235 2.079 2.844 1.00 0.00 N ATOM 1447 CA ALA A 94 18.066 1.493 3.882 1.00 0.00 C ATOM 1448 C ALA A 94 17.190 1.123 5.082 1.00 0.00 C ATOM 1449 O ALA A 94 17.553 0.257 5.876 1.00 0.00 O ATOM 1450 CB ALA A 94 19.183 2.470 4.255 1.00 0.00 C ATOM 0 H ALA A 94 17.163 3.096 2.879 1.00 0.00 H new ATOM 0 HA ALA A 94 18.539 0.579 3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.806 2.030 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.793 2.678 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.746 3.399 4.621 1.00 0.00 H new ATOM 1456 N MET A 95 16.054 1.798 5.175 1.00 0.00 N ATOM 1457 CA MET A 95 15.124 1.551 6.263 1.00 0.00 C ATOM 1458 C MET A 95 14.084 0.501 5.868 1.00 0.00 C ATOM 1459 O MET A 95 13.429 -0.084 6.730 1.00 0.00 O ATOM 1460 CB MET A 95 14.416 2.856 6.636 1.00 0.00 C ATOM 1461 CG MET A 95 15.328 3.753 7.475 1.00 0.00 C ATOM 1462 SD MET A 95 14.351 4.726 8.609 1.00 0.00 S ATOM 1463 CE MET A 95 12.922 5.049 7.589 1.00 0.00 C ATOM 0 H MET A 95 15.757 2.516 4.514 1.00 0.00 H new ATOM 0 HA MET A 95 15.686 1.175 7.118 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.115 3.383 5.730 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.506 2.634 7.193 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.043 3.143 8.028 1.00 0.00 H new ATOM 0 HG3 MET A 95 15.906 4.409 6.824 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.373 5.900 7.991 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.244 5.272 6.572 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.275 4.172 7.580 1.00 0.00 H new ATOM 1473 N VAL A 96 13.964 0.294 4.565 1.00 0.00 N ATOM 1474 CA VAL A 96 13.015 -0.676 4.046 1.00 0.00 C ATOM 1475 C VAL A 96 13.468 -2.085 4.434 1.00 0.00 C ATOM 1476 O VAL A 96 14.609 -2.466 4.180 1.00 0.00 O ATOM 1477 CB VAL A 96 12.855 -0.494 2.535 1.00 0.00 C ATOM 1478 CG1 VAL A 96 14.106 -0.968 1.791 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.607 -1.216 2.025 1.00 0.00 C ATOM 0 H VAL A 96 14.508 0.781 3.853 1.00 0.00 H new ATOM 0 HA VAL A 96 12.030 -0.519 4.485 1.00 0.00 H new ATOM 0 HB VAL A 96 12.730 0.570 2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.967 -0.828 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.968 -0.390 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.275 -2.024 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.517 -1.071 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.689 -2.281 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.725 -0.812 2.521 1.00 0.00 H new ATOM 1489 N GLU A 97 12.549 -2.820 5.043 1.00 0.00 N ATOM 1490 CA GLU A 97 12.840 -4.179 5.469 1.00 0.00 C ATOM 1491 C GLU A 97 12.507 -5.168 4.350 1.00 0.00 C ATOM 1492 O GLU A 97 13.381 -5.894 3.879 1.00 0.00 O ATOM 1493 CB GLU A 97 12.081 -4.526 6.751 1.00 0.00 C ATOM 1494 CG GLU A 97 12.601 -5.829 7.360 1.00 0.00 C ATOM 1495 CD GLU A 97 11.706 -6.291 8.512 1.00 0.00 C ATOM 1496 OE1 GLU A 97 11.556 -5.499 9.467 1.00 0.00 O ATOM 1497 OE2 GLU A 97 11.193 -7.426 8.412 1.00 0.00 O ATOM 0 H GLU A 97 11.603 -2.501 5.252 1.00 0.00 H new ATOM 0 HA GLU A 97 13.906 -4.251 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.188 -3.715 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.017 -4.621 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.641 -6.603 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.619 -5.685 7.721 1.00 0.00 H new ATOM 1504 N GLY A 98 11.242 -5.165 3.957 1.00 0.00 N ATOM 1505 CA GLY A 98 10.784 -6.053 2.902 1.00 0.00 C ATOM 1506 C GLY A 98 9.954 -5.291 1.866 1.00 0.00 C ATOM 1507 O GLY A 98 9.246 -4.345 2.207 1.00 0.00 O ATOM 0 H GLY A 98 10.520 -4.562 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.641 -6.518 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.187 -6.857 3.332 1.00 0.00 H new ATOM 1511 N ILE A 99 10.070 -5.733 0.622 1.00 0.00 N ATOM 1512 CA ILE A 99 9.340 -5.105 -0.466 1.00 0.00 C ATOM 1513 C ILE A 99 8.445 -6.145 -1.141 1.00 0.00 C ATOM 1514 O ILE A 99 8.817 -7.312 -1.250 1.00 0.00 O ATOM 1515 CB ILE A 99 10.305 -4.408 -1.427 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.607 -5.200 -1.567 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.558 -2.961 -0.997 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.451 -4.667 -2.727 1.00 0.00 C ATOM 0 H ILE A 99 10.658 -6.518 0.344 1.00 0.00 H new ATOM 0 HA ILE A 99 8.686 -4.321 -0.083 1.00 0.00 H new ATOM 0 HB ILE A 99 9.841 -4.375 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.176 -5.138 -0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.380 -6.253 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.247 -2.489 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.616 -2.413 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.992 -2.949 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.371 -5.247 -2.805 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.888 -4.753 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.696 -3.620 -2.547 1.00 0.00 H new ATOM 1530 N TYR A 100 7.281 -5.685 -1.576 1.00 0.00 N ATOM 1531 CA TYR A 100 6.329 -6.561 -2.237 1.00 0.00 C ATOM 1532 C TYR A 100 5.708 -5.876 -3.455 1.00 0.00 C ATOM 1533 O TYR A 100 5.823 -4.662 -3.616 1.00 0.00 O ATOM 1534 CB TYR A 100 5.231 -6.843 -1.210 1.00 0.00 C ATOM 1535 CG TYR A 100 5.754 -7.338 0.140 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.203 -6.432 1.080 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.776 -8.689 0.418 1.00 0.00 C ATOM 1538 CE1 TYR A 100 6.695 -6.898 2.351 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.269 -9.155 1.689 1.00 0.00 C ATOM 1540 CZ TYR A 100 6.703 -8.236 2.593 1.00 0.00 C ATOM 1541 OH TYR A 100 7.168 -8.676 3.793 1.00 0.00 O ATOM 0 H TYR A 100 6.976 -4.716 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 100 6.821 -7.470 -2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.653 -5.933 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.548 -7.588 -1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.185 -5.374 0.862 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.424 -9.397 -0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.050 -6.200 3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.293 -10.210 1.919 1.00 0.00 H new ATOM 0 HH TYR A 100 7.113 -9.654 3.826 1.00 0.00 H new ATOM 1551 N LYS A 101 5.061 -6.684 -4.283 1.00 0.00 N ATOM 1552 CA LYS A 101 4.421 -6.170 -5.482 1.00 0.00 C ATOM 1553 C LYS A 101 2.913 -6.410 -5.392 1.00 0.00 C ATOM 1554 O LYS A 101 2.419 -6.908 -4.382 1.00 0.00 O ATOM 1555 CB LYS A 101 5.066 -6.771 -6.733 1.00 0.00 C ATOM 1556 CG LYS A 101 4.731 -8.259 -6.862 1.00 0.00 C ATOM 1557 CD LYS A 101 6.004 -9.105 -6.922 1.00 0.00 C ATOM 1558 CE LYS A 101 6.120 -9.826 -8.267 1.00 0.00 C ATOM 1559 NZ LYS A 101 6.809 -8.968 -9.257 1.00 0.00 N ATOM 0 H LYS A 101 4.966 -7.690 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 101 4.569 -5.093 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.718 -6.238 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.147 -6.641 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.121 -8.573 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.137 -8.425 -7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.876 -8.468 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.998 -9.835 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.670 -10.759 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.127 -10.088 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.879 -9.472 -10.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.269 -8.089 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.763 -8.739 -8.913 1.00 0.00 H new ATOM 1573 N TYR A 102 2.223 -6.043 -6.463 1.00 0.00 N ATOM 1574 CA TYR A 102 0.781 -6.212 -6.517 1.00 0.00 C ATOM 1575 C TYR A 102 0.370 -7.028 -7.745 1.00 0.00 C ATOM 1576 O TYR A 102 0.536 -6.578 -8.877 1.00 0.00 O ATOM 1577 CB TYR A 102 0.196 -4.803 -6.637 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.333 -4.766 -6.681 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -2.004 -5.273 -7.775 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.041 -4.226 -5.627 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.443 -5.238 -7.817 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.480 -4.191 -5.669 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.110 -4.699 -6.762 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.469 -4.666 -6.802 1.00 0.00 O ATOM 0 H TYR A 102 2.636 -5.630 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 102 0.423 -6.740 -5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.540 -4.205 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.587 -4.334 -7.540 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.450 -5.696 -8.600 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.516 -3.830 -4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.980 -5.631 -8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.046 -3.771 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.781 -5.062 -7.642 1.00 0.00 H new ATOM 1594 N ASN A 103 -0.158 -8.213 -7.478 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.593 -9.096 -8.547 1.00 0.00 C ATOM 1596 C ASN A 103 -1.959 -8.634 -9.059 1.00 0.00 C ATOM 1597 O ASN A 103 -2.989 -8.952 -8.465 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.737 -10.535 -8.049 1.00 0.00 C ATOM 1599 CG ASN A 103 0.255 -11.461 -8.754 1.00 0.00 C ATOM 1600 OD1 ASN A 103 -0.001 -11.989 -9.824 1.00 0.00 O ATOM 1601 ND2 ASN A 103 1.400 -11.629 -8.098 1.00 0.00 N ATOM 0 H ASN A 103 -0.295 -8.583 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 103 0.156 -9.062 -9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.570 -10.569 -6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.754 -10.884 -8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.127 -12.229 -8.487 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.551 -11.158 -7.206 1.00 0.00 H new ATOM 1608 N SER A 104 -1.925 -7.891 -10.155 1.00 0.00 N ATOM 1609 CA SER A 104 -3.147 -7.383 -10.754 1.00 0.00 C ATOM 1610 C SER A 104 -3.752 -8.436 -11.684 1.00 0.00 C ATOM 1611 O SER A 104 -4.695 -8.151 -12.420 1.00 0.00 O ATOM 1612 CB SER A 104 -2.886 -6.085 -11.521 1.00 0.00 C ATOM 1613 OG SER A 104 -3.435 -4.951 -10.854 1.00 0.00 O ATOM 0 H SER A 104 -1.069 -7.628 -10.644 1.00 0.00 H new ATOM 0 HA SER A 104 -3.854 -7.165 -9.954 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.812 -5.947 -11.646 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.316 -6.161 -12.520 1.00 0.00 H new ATOM 0 HG SER A 104 -3.101 -4.919 -9.933 1.00 0.00 H new ATOM 1619 N ASP A 105 -3.184 -9.632 -11.620 1.00 0.00 N ATOM 1620 CA ASP A 105 -3.656 -10.729 -12.447 1.00 0.00 C ATOM 1621 C ASP A 105 -4.264 -11.812 -11.553 1.00 0.00 C ATOM 1622 O ASP A 105 -5.236 -12.463 -11.934 1.00 0.00 O ATOM 1623 CB ASP A 105 -2.505 -11.359 -13.235 1.00 0.00 C ATOM 1624 CG ASP A 105 -2.249 -10.741 -14.611 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -3.251 -10.398 -15.274 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -1.057 -10.625 -14.968 1.00 0.00 O ATOM 0 H ASP A 105 -2.402 -9.865 -11.008 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.396 -10.333 -13.142 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.593 -11.280 -12.643 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.711 -12.422 -13.363 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.668 -11.970 -10.381 1.00 0.00 N ATOM 1632 CA ARG A 106 -4.139 -12.962 -9.429 1.00 0.00 C ATOM 1633 C ARG A 106 -4.902 -12.284 -8.290 1.00 0.00 C ATOM 1634 O ARG A 106 -5.553 -12.953 -7.489 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.973 -13.763 -8.847 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.676 -14.998 -9.700 1.00 0.00 C ATOM 1637 CD ARG A 106 -2.682 -16.268 -8.848 1.00 0.00 C ATOM 1638 NE ARG A 106 -2.479 -17.456 -9.707 1.00 0.00 N ATOM 1639 CZ ARG A 106 -1.302 -17.797 -10.251 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -0.217 -17.044 -10.027 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -1.212 -18.892 -11.018 1.00 0.00 N ATOM 0 H ARG A 106 -2.863 -11.428 -10.068 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.803 -13.643 -9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.086 -13.133 -8.792 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.210 -14.069 -7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.419 -15.084 -10.492 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.706 -14.885 -10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.895 -16.215 -8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.628 -16.353 -8.314 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.284 -18.052 -9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.286 -16.211 -9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.678 -17.304 -10.441 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.038 -19.465 -11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.317 -19.152 -11.432 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.797 -10.964 -8.253 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.470 -10.187 -7.225 1.00 0.00 C ATOM 1657 C LYS A 107 -4.845 -10.502 -5.864 1.00 0.00 C ATOM 1658 O LYS A 107 -5.512 -10.411 -4.835 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.981 -10.424 -7.277 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.574 -9.890 -8.582 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.657 -10.830 -9.117 1.00 0.00 C ATOM 1662 CE LYS A 107 -9.122 -10.395 -10.508 1.00 0.00 C ATOM 1663 NZ LYS A 107 -8.777 -11.424 -11.515 1.00 0.00 N ATOM 0 H LYS A 107 -4.256 -10.412 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.332 -9.120 -7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.189 -11.490 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.459 -9.934 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.997 -8.900 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.785 -9.778 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.271 -11.848 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.505 -10.840 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.199 -10.230 -10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.655 -9.447 -10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.100 -11.113 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.746 -11.562 -11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.242 -12.321 -11.269 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.571 -10.864 -5.904 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.848 -11.192 -4.686 1.00 0.00 C ATOM 1679 C ARG A 108 -1.610 -10.305 -4.549 1.00 0.00 C ATOM 1680 O ARG A 108 -1.414 -9.379 -5.335 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.419 -12.661 -4.679 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.635 -13.587 -4.744 1.00 0.00 C ATOM 1683 CD ARG A 108 -4.327 -13.680 -3.383 1.00 0.00 C ATOM 1684 NE ARG A 108 -4.638 -15.092 -3.068 1.00 0.00 N ATOM 1685 CZ ARG A 108 -3.734 -15.982 -2.636 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -2.458 -15.612 -2.464 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -4.107 -17.243 -2.375 1.00 0.00 N ATOM 0 H ARG A 108 -3.021 -10.937 -6.760 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.519 -11.017 -3.845 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.763 -12.856 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.845 -12.872 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.339 -13.217 -5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.323 -14.581 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.684 -13.260 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.244 -13.090 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.601 -15.408 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.174 -14.652 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.770 -16.290 -2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.079 -17.525 -2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.419 -17.921 -2.046 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.804 -10.619 -3.545 1.00 0.00 N ATOM 1702 CA PHE A 109 0.410 -9.862 -3.294 1.00 0.00 C ATOM 1703 C PHE A 109 1.632 -10.781 -3.262 1.00 0.00 C ATOM 1704 O PHE A 109 1.570 -11.883 -2.719 1.00 0.00 O ATOM 1705 CB PHE A 109 0.249 -9.198 -1.925 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.011 -7.692 -1.991 1.00 0.00 C ATOM 1707 CD1 PHE A 109 -0.938 -7.199 -2.856 1.00 0.00 C ATOM 1708 CD2 PHE A 109 0.684 -6.845 -1.184 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -1.180 -5.801 -2.916 1.00 0.00 C ATOM 1710 CE2 PHE A 109 0.442 -5.448 -1.245 1.00 0.00 C ATOM 1711 CZ PHE A 109 -0.485 -4.955 -2.110 1.00 0.00 C ATOM 0 H PHE A 109 -0.969 -11.388 -2.896 1.00 0.00 H new ATOM 0 HA PHE A 109 0.561 -9.128 -4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.575 -9.676 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.150 -9.375 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -1.490 -7.871 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.420 -7.236 -0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.916 -5.410 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.994 -4.776 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.669 -3.892 -2.156 1.00 0.00 H new ATOM 1721 N THR A 110 2.715 -10.294 -3.850 1.00 0.00 N ATOM 1722 CA THR A 110 3.950 -11.059 -3.895 1.00 0.00 C ATOM 1723 C THR A 110 5.103 -10.244 -3.305 1.00 0.00 C ATOM 1724 O THR A 110 5.018 -9.021 -3.209 1.00 0.00 O ATOM 1725 CB THR A 110 4.188 -11.488 -5.344 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.151 -12.432 -5.601 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.477 -12.296 -5.511 1.00 0.00 C ATOM 0 H THR A 110 2.763 -9.379 -4.299 1.00 0.00 H new ATOM 0 HA THR A 110 3.882 -11.958 -3.282 1.00 0.00 H new ATOM 0 HB THR A 110 4.228 -10.605 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.229 -12.761 -6.521 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.598 -12.575 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.328 -11.693 -5.196 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.424 -13.196 -4.899 1.00 0.00 H new ATOM 1735 N GLN A 111 6.155 -10.955 -2.927 1.00 0.00 N ATOM 1736 CA GLN A 111 7.324 -10.313 -2.350 1.00 0.00 C ATOM 1737 C GLN A 111 8.420 -10.157 -3.406 1.00 0.00 C ATOM 1738 O GLN A 111 8.481 -10.930 -4.361 1.00 0.00 O ATOM 1739 CB GLN A 111 7.838 -11.095 -1.139 1.00 0.00 C ATOM 1740 CG GLN A 111 9.312 -10.786 -0.872 1.00 0.00 C ATOM 1741 CD GLN A 111 9.743 -11.316 0.498 1.00 0.00 C ATOM 1742 OE1 GLN A 111 9.614 -12.489 0.807 1.00 0.00 O ATOM 1743 NE2 GLN A 111 10.262 -10.389 1.297 1.00 0.00 N ATOM 0 H GLN A 111 6.222 -11.969 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 111 7.035 -9.320 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.245 -10.842 -0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 111 7.712 -12.164 -1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.929 -11.236 -1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 111 9.476 -9.709 -0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.341 -9.424 0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 111 10.581 -10.642 2.232 1.00 0.00 H new ATOM 1752 N ILE A 112 9.258 -9.152 -3.200 1.00 0.00 N ATOM 1753 CA ILE A 112 10.348 -8.884 -4.123 1.00 0.00 C ATOM 1754 C ILE A 112 11.626 -9.543 -3.600 1.00 0.00 C ATOM 1755 O ILE A 112 11.881 -9.542 -2.397 1.00 0.00 O ATOM 1756 CB ILE A 112 10.486 -7.380 -4.367 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.126 -6.684 -4.286 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.195 -7.103 -5.694 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.268 -7.015 -5.509 1.00 0.00 C ATOM 0 H ILE A 112 9.204 -8.513 -2.407 1.00 0.00 H new ATOM 0 HA ILE A 112 10.139 -9.323 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 112 11.108 -6.961 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.608 -6.995 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.269 -5.606 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.280 -6.027 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.190 -7.547 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.620 -7.538 -6.511 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.307 -6.508 -5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.778 -6.681 -6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.107 -8.092 -5.560 1.00 0.00 H new ATOM 1771 N PRO A 113 12.416 -10.103 -4.555 1.00 0.00 N ATOM 1772 CA PRO A 113 13.661 -10.764 -4.203 1.00 0.00 C ATOM 1773 C PRO A 113 14.745 -9.741 -3.857 1.00 0.00 C ATOM 1774 O PRO A 113 15.850 -10.112 -3.462 1.00 0.00 O ATOM 1775 CB PRO A 113 14.011 -11.614 -5.413 1.00 0.00 C ATOM 1776 CG PRO A 113 13.204 -11.046 -6.569 1.00 0.00 C ATOM 1777 CD PRO A 113 12.145 -10.123 -5.989 1.00 0.00 C ATOM 0 HA PRO A 113 13.571 -11.384 -3.311 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.079 -11.571 -5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.762 -12.661 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.852 -10.500 -7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.739 -11.849 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.212 -9.124 -6.419 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.141 -10.492 -6.197 1.00 0.00 H new ATOM 1785 N ALA A 114 14.392 -8.475 -4.018 1.00 0.00 N ATOM 1786 CA ALA A 114 15.321 -7.396 -3.728 1.00 0.00 C ATOM 1787 C ALA A 114 14.892 -6.691 -2.440 1.00 0.00 C ATOM 1788 O ALA A 114 13.742 -6.807 -2.019 1.00 0.00 O ATOM 1789 CB ALA A 114 15.385 -6.441 -4.922 1.00 0.00 C ATOM 0 H ALA A 114 13.475 -8.172 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 114 16.326 -7.788 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.082 -5.632 -4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.724 -6.984 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.395 -6.026 -5.110 1.00 0.00 H new ATOM 1795 N LYS A 115 15.838 -5.975 -1.850 1.00 0.00 N ATOM 1796 CA LYS A 115 15.572 -5.251 -0.619 1.00 0.00 C ATOM 1797 C LYS A 115 15.612 -3.748 -0.897 1.00 0.00 C ATOM 1798 O LYS A 115 15.497 -2.939 0.022 1.00 0.00 O ATOM 1799 CB LYS A 115 16.533 -5.699 0.484 1.00 0.00 C ATOM 1800 CG LYS A 115 15.790 -6.461 1.583 1.00 0.00 C ATOM 1801 CD LYS A 115 16.621 -7.642 2.089 1.00 0.00 C ATOM 1802 CE LYS A 115 16.312 -7.941 3.557 1.00 0.00 C ATOM 1803 NZ LYS A 115 17.136 -9.071 4.041 1.00 0.00 N ATOM 0 H LYS A 115 16.791 -5.881 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 115 14.572 -5.480 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.310 -6.334 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.031 -4.829 0.913 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.567 -5.787 2.411 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.836 -6.821 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.413 -8.524 1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.682 -7.420 1.975 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.506 -7.056 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.255 -8.180 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.913 -9.260 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.931 -9.918 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 18.144 -8.830 3.951 1.00 0.00 H new ATOM 1817 N THR A 116 15.777 -3.418 -2.170 1.00 0.00 N ATOM 1818 CA THR A 116 15.834 -2.025 -2.581 1.00 0.00 C ATOM 1819 C THR A 116 14.558 -1.638 -3.331 1.00 0.00 C ATOM 1820 O THR A 116 13.730 -2.494 -3.638 1.00 0.00 O ATOM 1821 CB THR A 116 17.107 -1.828 -3.406 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.162 -2.065 -2.478 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.308 -0.373 -3.834 1.00 0.00 C ATOM 0 H THR A 116 15.873 -4.091 -2.930 1.00 0.00 H new ATOM 0 HA THR A 116 15.881 -1.359 -1.719 1.00 0.00 H new ATOM 0 HB THR A 116 17.069 -2.465 -4.290 1.00 0.00 H new ATOM 0 HG1 THR A 116 19.025 -1.960 -2.930 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.225 -0.289 -4.417 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.462 -0.052 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.380 0.260 -2.949 1.00 0.00 H new ATOM 1831 N MET A 117 14.439 -0.347 -3.605 1.00 0.00 N ATOM 1832 CA MET A 117 13.278 0.165 -4.313 1.00 0.00 C ATOM 1833 C MET A 117 13.286 -0.285 -5.775 1.00 0.00 C ATOM 1834 O MET A 117 14.307 -0.750 -6.280 1.00 0.00 O ATOM 1835 CB MET A 117 13.274 1.693 -4.248 1.00 0.00 C ATOM 1836 CG MET A 117 12.628 2.186 -2.952 1.00 0.00 C ATOM 1837 SD MET A 117 10.924 1.657 -2.879 1.00 0.00 S ATOM 1838 CE MET A 117 10.948 0.747 -1.343 1.00 0.00 C ATOM 0 H MET A 117 15.128 0.360 -3.349 1.00 0.00 H new ATOM 0 HA MET A 117 12.381 -0.230 -3.836 1.00 0.00 H new ATOM 0 HB2 MET A 117 14.296 2.066 -4.313 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.733 2.095 -5.104 1.00 0.00 H new ATOM 0 HG2 MET A 117 13.175 1.798 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 117 12.682 3.273 -2.900 1.00 0.00 H new ATOM 0 HE1 MET A 117 9.955 0.345 -1.143 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.663 -0.072 -1.417 1.00 0.00 H new ATOM 0 HE3 MET A 117 11.240 1.412 -0.531 1.00 0.00 H new ATOM 1848 N SER A 118 12.136 -0.131 -6.414 1.00 0.00 N ATOM 1849 CA SER A 118 11.997 -0.515 -7.809 1.00 0.00 C ATOM 1850 C SER A 118 10.586 -0.192 -8.303 1.00 0.00 C ATOM 1851 O SER A 118 9.704 0.127 -7.508 1.00 0.00 O ATOM 1852 CB SER A 118 12.300 -2.002 -8.003 1.00 0.00 C ATOM 1853 OG SER A 118 11.199 -2.825 -7.626 1.00 0.00 O ATOM 0 H SER A 118 11.291 0.255 -5.992 1.00 0.00 H new ATOM 0 HA SER A 118 12.719 0.055 -8.394 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.550 -2.188 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.175 -2.274 -7.412 1.00 0.00 H new ATOM 0 HG SER A 118 11.431 -3.767 -7.766 1.00 0.00 H new ATOM 1859 N MET A 119 10.417 -0.284 -9.614 1.00 0.00 N ATOM 1860 CA MET A 119 9.128 -0.005 -10.224 1.00 0.00 C ATOM 1861 C MET A 119 8.264 -1.267 -10.281 1.00 0.00 C ATOM 1862 O MET A 119 7.427 -1.411 -11.171 1.00 0.00 O ATOM 1863 CB MET A 119 9.339 0.534 -11.640 1.00 0.00 C ATOM 1864 CG MET A 119 9.729 2.013 -11.611 1.00 0.00 C ATOM 1865 SD MET A 119 8.264 3.031 -11.664 1.00 0.00 S ATOM 1866 CE MET A 119 7.746 2.917 -9.959 1.00 0.00 C ATOM 0 H MET A 119 11.151 -0.548 -10.271 1.00 0.00 H new ATOM 0 HA MET A 119 8.613 0.739 -9.616 1.00 0.00 H new ATOM 0 HB2 MET A 119 10.118 -0.042 -12.140 1.00 0.00 H new ATOM 0 HB3 MET A 119 8.426 0.406 -12.221 1.00 0.00 H new ATOM 0 HG2 MET A 119 10.300 2.229 -10.708 1.00 0.00 H new ATOM 0 HG3 MET A 119 10.374 2.244 -12.459 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.259 3.846 -9.664 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.047 2.089 -9.846 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.616 2.746 -9.325 1.00 0.00 H new ATOM 1876 N SER A 120 8.496 -2.148 -9.319 1.00 0.00 N ATOM 1877 CA SER A 120 7.749 -3.393 -9.249 1.00 0.00 C ATOM 1878 C SER A 120 7.286 -3.644 -7.812 1.00 0.00 C ATOM 1879 O SER A 120 6.807 -4.731 -7.492 1.00 0.00 O ATOM 1880 CB SER A 120 8.590 -4.569 -9.749 1.00 0.00 C ATOM 1881 OG SER A 120 8.172 -5.015 -11.036 1.00 0.00 O ATOM 0 H SER A 120 9.190 -2.025 -8.582 1.00 0.00 H new ATOM 0 HA SER A 120 6.876 -3.306 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.638 -4.273 -9.791 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.519 -5.393 -9.039 1.00 0.00 H new ATOM 0 HG SER A 120 8.734 -5.765 -11.321 1.00 0.00 H new ATOM 1887 N VAL A 121 7.445 -2.622 -6.985 1.00 0.00 N ATOM 1888 CA VAL A 121 7.049 -2.718 -5.591 1.00 0.00 C ATOM 1889 C VAL A 121 5.721 -1.985 -5.390 1.00 0.00 C ATOM 1890 O VAL A 121 5.547 -0.866 -5.869 1.00 0.00 O ATOM 1891 CB VAL A 121 8.167 -2.187 -4.691 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.864 -2.465 -3.218 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.521 -2.776 -5.094 1.00 0.00 C ATOM 0 H VAL A 121 7.843 -1.722 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 121 6.891 -3.759 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 121 8.219 -1.106 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.674 -2.077 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.930 -1.976 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.771 -3.540 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.298 -2.383 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.486 -3.862 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.744 -2.504 -6.126 1.00 0.00 H new ATOM 1903 N ASP A 122 4.818 -2.647 -4.681 1.00 0.00 N ATOM 1904 CA ASP A 122 3.511 -2.072 -4.411 1.00 0.00 C ATOM 1905 C ASP A 122 3.253 -2.089 -2.903 1.00 0.00 C ATOM 1906 O ASP A 122 2.170 -1.720 -2.451 1.00 0.00 O ATOM 1907 CB ASP A 122 2.403 -2.880 -5.090 1.00 0.00 C ATOM 1908 CG ASP A 122 2.283 -2.671 -6.601 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.223 -3.094 -7.308 1.00 0.00 O ATOM 1910 OD2 ASP A 122 1.255 -2.093 -7.014 1.00 0.00 O ATOM 0 H ASP A 122 4.966 -3.576 -4.286 1.00 0.00 H new ATOM 0 HA ASP A 122 3.504 -1.053 -4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.576 -3.939 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.451 -2.623 -4.626 1.00 0.00 H new ATOM 1915 N ALA A 123 4.266 -2.520 -2.166 1.00 0.00 N ATOM 1916 CA ALA A 123 4.162 -2.590 -0.719 1.00 0.00 C ATOM 1917 C ALA A 123 5.559 -2.763 -0.119 1.00 0.00 C ATOM 1918 O ALA A 123 6.404 -3.448 -0.694 1.00 0.00 O ATOM 1919 CB ALA A 123 3.215 -3.727 -0.329 1.00 0.00 C ATOM 0 H ALA A 123 5.163 -2.824 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 123 3.744 -1.666 -0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.137 -3.779 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.229 -3.542 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.603 -4.671 -0.711 1.00 0.00 H new ATOM 1925 N PHE A 124 5.758 -2.131 1.028 1.00 0.00 N ATOM 1926 CA PHE A 124 7.038 -2.207 1.711 1.00 0.00 C ATOM 1927 C PHE A 124 6.865 -2.032 3.222 1.00 0.00 C ATOM 1928 O PHE A 124 5.869 -1.470 3.674 1.00 0.00 O ATOM 1929 CB PHE A 124 7.901 -1.064 1.174 1.00 0.00 C ATOM 1930 CG PHE A 124 7.448 0.325 1.629 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.209 0.778 1.300 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.285 1.106 2.363 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.789 2.067 1.722 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.865 2.395 2.786 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.626 2.848 2.456 1.00 0.00 C ATOM 0 H PHE A 124 5.055 -1.564 1.502 1.00 0.00 H new ATOM 0 HA PHE A 124 7.496 -3.180 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.932 -1.221 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.894 -1.098 0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.544 0.157 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.269 0.746 2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.805 2.427 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.529 3.015 3.369 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.307 3.828 2.777 1.00 0.00 H new ATOM 1945 N THR A 125 7.849 -2.525 3.959 1.00 0.00 N ATOM 1946 CA THR A 125 7.818 -2.431 5.409 1.00 0.00 C ATOM 1947 C THR A 125 9.181 -1.990 5.944 1.00 0.00 C ATOM 1948 O THR A 125 10.162 -2.724 5.833 1.00 0.00 O ATOM 1949 CB THR A 125 7.355 -3.781 5.961 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.083 -4.737 5.195 1.00 0.00 O ATOM 1951 CG2 THR A 125 5.891 -4.077 5.632 1.00 0.00 C ATOM 0 H THR A 125 8.673 -2.991 3.579 1.00 0.00 H new ATOM 0 HA THR A 125 7.112 -1.669 5.741 1.00 0.00 H new ATOM 0 HB THR A 125 7.495 -3.798 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.845 -5.641 5.488 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.614 -5.046 6.046 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.257 -3.303 6.064 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.757 -4.093 4.550 1.00 0.00 H new ATOM 1959 N ILE A 126 9.199 -0.794 6.514 1.00 0.00 N ATOM 1960 CA ILE A 126 10.427 -0.247 7.066 1.00 0.00 C ATOM 1961 C ILE A 126 10.879 -1.110 8.245 1.00 0.00 C ATOM 1962 O ILE A 126 10.158 -2.011 8.673 1.00 0.00 O ATOM 1963 CB ILE A 126 10.243 1.230 7.421 1.00 0.00 C ATOM 1964 CG1 ILE A 126 9.271 1.396 8.592 1.00 0.00 C ATOM 1965 CG2 ILE A 126 9.808 2.038 6.197 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.030 2.876 8.898 1.00 0.00 C ATOM 0 H ILE A 126 8.383 -0.189 6.606 1.00 0.00 H new ATOM 0 HA ILE A 126 11.225 -0.276 6.324 1.00 0.00 H new ATOM 0 HB ILE A 126 11.206 1.626 7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.324 0.911 8.355 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.672 0.899 9.475 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.684 3.084 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.568 1.958 5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.862 1.649 5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.336 2.966 9.734 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.975 3.352 9.158 1.00 0.00 H new ATOM 0 HD13 ILE A 126 8.607 3.365 8.020 1.00 0.00 H new ATOM 1978 N GLN A 127 12.071 -0.806 8.738 1.00 0.00 N ATOM 1979 CA GLN A 127 12.628 -1.543 9.859 1.00 0.00 C ATOM 1980 C GLN A 127 11.657 -1.525 11.041 1.00 0.00 C ATOM 1981 O GLN A 127 10.549 -1.003 10.931 1.00 0.00 O ATOM 1982 CB GLN A 127 13.993 -0.980 10.262 1.00 0.00 C ATOM 1983 CG GLN A 127 15.044 -1.271 9.189 1.00 0.00 C ATOM 1984 CD GLN A 127 16.211 -0.286 9.284 1.00 0.00 C ATOM 1985 OE1 GLN A 127 16.047 0.884 9.589 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.396 -0.823 9.007 1.00 0.00 N ATOM 0 H GLN A 127 12.666 -0.059 8.381 1.00 0.00 H new ATOM 0 HA GLN A 127 12.775 -2.578 9.551 1.00 0.00 H new ATOM 0 HB2 GLN A 127 13.915 0.096 10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.305 -1.417 11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 127 15.413 -2.290 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 127 14.588 -1.206 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.463 -1.810 8.759 1.00 0.00 H new ATOM 0 HE22 GLN A 127 18.238 -0.248 9.043 1.00 0.00 H new ATOM 1995 N GLY A 128 12.108 -2.102 12.145 1.00 0.00 N ATOM 1996 CA GLY A 128 11.293 -2.159 13.347 1.00 0.00 C ATOM 1997 C GLY A 128 11.736 -1.103 14.360 1.00 0.00 C ATOM 1998 O GLY A 128 10.903 -0.424 14.959 1.00 0.00 O ATOM 0 H GLY A 128 13.028 -2.534 12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.246 -2.003 13.088 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.367 -3.150 13.794 1.00 0.00 H new ATOM 2002 N HIS A 129 13.047 -0.996 14.522 1.00 0.00 N ATOM 2003 CA HIS A 129 13.611 -0.033 15.453 1.00 0.00 C ATOM 2004 C HIS A 129 13.047 1.358 15.156 1.00 0.00 C ATOM 2005 O HIS A 129 13.072 2.238 16.016 1.00 0.00 O ATOM 2006 CB HIS A 129 15.140 -0.073 15.416 1.00 0.00 C ATOM 2007 CG HIS A 129 15.739 0.494 14.152 1.00 0.00 C ATOM 2008 ND1 HIS A 129 16.398 -0.287 13.218 1.00 0.00 N ATOM 2009 CD2 HIS A 129 15.772 1.772 13.676 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.805 0.495 12.230 1.00 0.00 C ATOM 2011 NE2 HIS A 129 16.417 1.771 12.516 1.00 0.00 N ATOM 0 H HIS A 129 13.735 -1.561 14.024 1.00 0.00 H new ATOM 0 HA HIS A 129 13.323 -0.294 16.471 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.528 0.481 16.270 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.469 -1.106 15.530 1.00 0.00 H new ATOM 0 HD1 HIS A 129 16.545 -1.294 13.280 1.00 0.00 H new ATOM 0 HD2 HIS A 129 15.346 2.638 14.161 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.349 0.178 11.352 1.00 0.00 H new ATOM 2019 N LEU A 130 12.552 1.513 13.937 1.00 0.00 N ATOM 2020 CA LEU A 130 11.983 2.782 13.517 1.00 0.00 C ATOM 2021 C LEU A 130 10.854 3.172 14.474 1.00 0.00 C ATOM 2022 O LEU A 130 10.969 4.153 15.208 1.00 0.00 O ATOM 2023 CB LEU A 130 11.551 2.717 12.051 1.00 0.00 C ATOM 2024 CG LEU A 130 12.589 3.173 11.024 1.00 0.00 C ATOM 2025 CD1 LEU A 130 14.009 2.995 11.565 1.00 0.00 C ATOM 2026 CD2 LEU A 130 12.391 2.455 9.688 1.00 0.00 C ATOM 0 H LEU A 130 12.533 0.781 13.227 1.00 0.00 H new ATOM 0 HA LEU A 130 12.733 3.571 13.569 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.269 1.689 11.821 1.00 0.00 H new ATOM 0 HB3 LEU A 130 10.656 3.328 11.929 1.00 0.00 H new ATOM 0 HG LEU A 130 12.444 4.238 10.841 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.728 3.326 10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 130 14.130 3.588 12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 130 14.182 1.943 11.794 1.00 0.00 H new ATOM 0 HD21 LEU A 130 13.142 2.798 8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 130 12.493 1.380 9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 130 11.396 2.675 9.300 1.00 0.00 H new ATOM 2038 N TRP A 131 9.790 2.385 14.435 1.00 0.00 N ATOM 2039 CA TRP A 131 8.642 2.635 15.289 1.00 0.00 C ATOM 2040 C TRP A 131 9.146 2.793 16.725 1.00 0.00 C ATOM 2041 O TRP A 131 8.828 3.775 17.394 1.00 0.00 O ATOM 2042 CB TRP A 131 7.596 1.528 15.141 1.00 0.00 C ATOM 2043 CG TRP A 131 7.239 1.198 13.690 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.656 0.159 12.954 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.371 1.959 12.825 1.00 0.00 C ATOM 2046 NE1 TRP A 131 7.121 0.194 11.682 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.315 1.323 11.601 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.655 3.144 13.067 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.557 1.798 10.524 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.902 3.606 11.981 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.836 2.978 10.743 1.00 0.00 C ATOM 0 H TRP A 131 9.698 1.573 13.825 1.00 0.00 H new ATOM 0 HA TRP A 131 8.136 3.554 14.994 1.00 0.00 H new ATOM 0 HB2 TRP A 131 7.966 0.625 15.627 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.690 1.826 15.668 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.326 -0.609 13.311 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.287 -0.484 10.938 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.683 3.658 14.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.530 1.282 9.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.333 4.514 12.115 1.00 0.00 H new ATOM 0 HH2 TRP A 131 4.231 3.398 9.953 1.00 0.00 H new