USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=27 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=-0.00443 K(o=-4.9,f=-4.1) USER MOD Set 1.2: A 129 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-4.1!) USER MOD Set 2.1: A 103 ASN : amide:sc= -1.29! K(o=-2.7!,f=2.1) USER MOD Set 2.2: A 110 THR OG1 : rot -140:sc= -1.4! USER MOD Set 3.1: A 29 HIS : no HD1:sc= -4.48! K(o=-7.2!,f=-5.3) USER MOD Set 3.2: A 102 TYR OH : rot 156:sc= -2.7! USER MOD Set 4.1: A 19 ASN : amide:sc= -0.338 K(o=-21,f=-24) USER MOD Set 4.2: A 55 HIS : no HD1:sc= -14.6! C(o=-21!,f=-24!) USER MOD Set 4.3: A 119 MET CE :methyl 154:sc= -5.59! (180deg=-2.42!) USER MOD Single : A 18 SER OG : rot -29:sc= 0.00439 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HE2:sc= -4.36! C(o=-4.4!,f=-3!) USER MOD Single : A 25 ASN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 60:sc= -0.313 USER MOD Single : A 31 CYS SG : rot 95:sc= -0.0705 USER MOD Single : A 35 LYS NZ :NH3+ -117:sc= -0.0194 (180deg=-0.327) USER MOD Single : A 37 ASN : amide:sc= -0.0717 K(o=-0.072,f=-0.61) USER MOD Single : A 40 GLN : amide:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.846 K(o=0.85,f=-0.81) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 80:sc=-0.00303 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.038) USER MOD Single : A 54 ASN : amide:sc= -0.465 X(o=-0.47,f=-0.15) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 15:sc= -1.22 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0235 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= -0.021 USER MOD Single : A 95 MET CE :methyl -154:sc= -0.433 (180deg=-1.76!) 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 40:sc= 0.556 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.6!) 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 -164:sc= -1.21 (180deg=-1.4) USER MOD Single : A 118 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 14:sc= 0.828 USER MOD ----------------------------------------------------------------- ATOM 238 N SER A 18 3.848 3.543 -14.216 1.00 0.00 N ATOM 239 CA SER A 18 3.126 3.974 -13.030 1.00 0.00 C ATOM 240 C SER A 18 2.240 2.839 -12.515 1.00 0.00 C ATOM 241 O SER A 18 1.727 2.042 -13.299 1.00 0.00 O ATOM 242 CB SER A 18 2.282 5.216 -13.322 1.00 0.00 C ATOM 243 OG SER A 18 1.236 4.945 -14.251 1.00 0.00 O ATOM 0 HA SER A 18 3.854 4.234 -12.262 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.853 5.590 -12.392 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.922 6.005 -13.717 1.00 0.00 H new ATOM 0 HG SER A 18 1.513 4.223 -14.854 1.00 0.00 H new ATOM 249 N ASN A 19 2.088 2.800 -11.200 1.00 0.00 N ATOM 250 CA ASN A 19 1.272 1.775 -10.570 1.00 0.00 C ATOM 251 C ASN A 19 0.244 2.440 -9.653 1.00 0.00 C ATOM 252 O ASN A 19 -0.190 1.845 -8.668 1.00 0.00 O ATOM 253 CB ASN A 19 2.129 0.836 -9.718 1.00 0.00 C ATOM 254 CG ASN A 19 2.824 1.601 -8.590 1.00 0.00 C ATOM 255 OD1 ASN A 19 3.730 2.388 -8.805 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.350 1.325 -7.378 1.00 0.00 N ATOM 0 H ASN A 19 2.516 3.462 -10.553 1.00 0.00 H new ATOM 0 HA ASN A 19 0.783 1.202 -11.357 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.504 0.049 -9.297 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.875 0.349 -10.346 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.748 1.783 -6.558 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.589 0.655 -7.269 1.00 0.00 H new ATOM 263 N LYS A 20 -0.117 3.664 -10.010 1.00 0.00 N ATOM 264 CA LYS A 20 -1.086 4.415 -9.231 1.00 0.00 C ATOM 265 C LYS A 20 -2.443 3.713 -9.299 1.00 0.00 C ATOM 266 O LYS A 20 -3.114 3.551 -8.281 1.00 0.00 O ATOM 267 CB LYS A 20 -1.125 5.875 -9.689 1.00 0.00 C ATOM 268 CG LYS A 20 -2.272 6.630 -9.014 1.00 0.00 C ATOM 269 CD LYS A 20 -2.767 7.778 -9.897 1.00 0.00 C ATOM 270 CE LYS A 20 -2.809 9.092 -9.115 1.00 0.00 C ATOM 271 NZ LYS A 20 -3.378 10.174 -9.949 1.00 0.00 N ATOM 0 H LYS A 20 0.244 4.154 -10.828 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.793 4.441 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.177 6.359 -9.453 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.244 5.917 -10.772 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.094 5.943 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.938 7.023 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.111 7.886 -10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.761 7.546 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.409 8.966 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.803 9.363 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.399 11.059 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.790 10.305 -10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.345 9.920 -10.234 1.00 0.00 H new ATOM 285 N PHE A 21 -2.807 3.314 -10.509 1.00 0.00 N ATOM 286 CA PHE A 21 -4.073 2.633 -10.723 1.00 0.00 C ATOM 287 C PHE A 21 -4.082 1.265 -10.038 1.00 0.00 C ATOM 288 O PHE A 21 -5.138 0.768 -9.650 1.00 0.00 O ATOM 289 CB PHE A 21 -4.224 2.435 -12.233 1.00 0.00 C ATOM 290 CG PHE A 21 -4.747 3.667 -12.973 1.00 0.00 C ATOM 291 CD1 PHE A 21 -4.031 4.823 -12.960 1.00 0.00 C ATOM 292 CD2 PHE A 21 -5.928 3.607 -13.645 1.00 0.00 C ATOM 293 CE1 PHE A 21 -4.516 5.967 -13.647 1.00 0.00 C ATOM 294 CE2 PHE A 21 -6.413 4.751 -14.332 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.697 5.907 -14.318 1.00 0.00 C ATOM 0 H PHE A 21 -2.248 3.449 -11.351 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.889 3.224 -10.306 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.257 2.156 -12.651 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.902 1.601 -12.414 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.093 4.871 -12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.497 2.689 -13.656 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.947 6.885 -13.637 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.351 4.703 -14.866 1.00 0.00 H new ATOM 0 HZ PHE A 21 -6.066 6.777 -14.840 1.00 0.00 H new ATOM 305 N ILE A 22 -2.892 0.695 -9.910 1.00 0.00 N ATOM 306 CA ILE A 22 -2.750 -0.606 -9.278 1.00 0.00 C ATOM 307 C ILE A 22 -2.975 -0.463 -7.771 1.00 0.00 C ATOM 308 O ILE A 22 -3.390 -1.413 -7.110 1.00 0.00 O ATOM 309 CB ILE A 22 -1.403 -1.234 -9.642 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.253 -1.368 -11.159 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.211 -2.572 -8.926 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.208 -1.610 -11.545 1.00 0.00 C ATOM 0 H ILE A 22 -2.018 1.110 -10.233 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.508 -1.295 -9.650 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.611 -0.569 -9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.869 -2.192 -11.518 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.617 -0.463 -11.646 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.246 -2.997 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.244 -2.416 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.006 -3.258 -9.217 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.288 -1.702 -12.628 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.817 -0.772 -11.206 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.561 -2.529 -11.076 1.00 0.00 H new ATOM 324 N ILE A 23 -2.691 0.731 -7.273 1.00 0.00 N ATOM 325 CA ILE A 23 -2.857 1.010 -5.857 1.00 0.00 C ATOM 326 C ILE A 23 -4.304 1.430 -5.591 1.00 0.00 C ATOM 327 O ILE A 23 -4.922 0.969 -4.632 1.00 0.00 O ATOM 328 CB ILE A 23 -1.823 2.035 -5.388 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.405 1.466 -5.480 1.00 0.00 C ATOM 330 CG2 ILE A 23 -2.148 2.537 -3.979 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.315 0.105 -4.786 1.00 0.00 C ATOM 0 H ILE A 23 -2.347 1.517 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.672 0.112 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.869 2.895 -6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.117 1.365 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.300 2.160 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.397 3.264 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.131 3.007 -3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.147 1.697 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.703 -0.277 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.580 0.215 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.003 -0.593 -5.263 1.00 0.00 H new ATOM 343 N HIS A 24 -4.802 2.301 -6.456 1.00 0.00 N ATOM 344 CA HIS A 24 -6.165 2.789 -6.326 1.00 0.00 C ATOM 345 C HIS A 24 -7.103 1.618 -6.026 1.00 0.00 C ATOM 346 O HIS A 24 -8.067 1.766 -5.277 1.00 0.00 O ATOM 347 CB HIS A 24 -6.580 3.578 -7.569 1.00 0.00 C ATOM 348 CG HIS A 24 -7.301 4.869 -7.265 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.674 4.941 -7.101 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.826 6.137 -7.095 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.999 6.200 -6.846 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.853 6.939 -6.843 1.00 0.00 N ATOM 0 H HIS A 24 -4.286 2.682 -7.250 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.228 3.483 -5.488 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.691 3.801 -8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.223 2.951 -8.186 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -9.325 4.158 -7.166 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.790 6.437 -7.155 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.997 6.575 -6.671 1.00 0.00 H new ATOM 360 N ASN A 25 -6.787 0.480 -6.627 1.00 0.00 N ATOM 361 CA ASN A 25 -7.590 -0.715 -6.434 1.00 0.00 C ATOM 362 C ASN A 25 -7.112 -1.448 -5.178 1.00 0.00 C ATOM 363 O ASN A 25 -7.913 -2.050 -4.465 1.00 0.00 O ATOM 364 CB ASN A 25 -7.449 -1.671 -7.621 1.00 0.00 C ATOM 365 CG ASN A 25 -8.414 -1.293 -8.746 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.543 -1.752 -8.811 1.00 0.00 O ATOM 367 ND2 ASN A 25 -7.909 -0.435 -9.627 1.00 0.00 N ATOM 0 H ASN A 25 -5.986 0.361 -7.247 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.632 -0.409 -6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.424 -1.647 -7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.646 -2.692 -7.296 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.475 -0.122 -10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.956 -0.089 -9.514 1.00 0.00 H new ATOM 374 N ALA A 26 -5.810 -1.371 -4.947 1.00 0.00 N ATOM 375 CA ALA A 26 -5.216 -2.019 -3.790 1.00 0.00 C ATOM 376 C ALA A 26 -5.855 -1.463 -2.515 1.00 0.00 C ATOM 377 O ALA A 26 -5.981 -2.172 -1.519 1.00 0.00 O ATOM 378 CB ALA A 26 -3.699 -1.821 -3.816 1.00 0.00 C ATOM 0 H ALA A 26 -5.150 -0.870 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.405 -3.092 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.254 -2.307 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.290 -2.259 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.471 -0.755 -3.792 1.00 0.00 H new ATOM 384 N LEU A 27 -6.242 -0.197 -2.589 1.00 0.00 N ATOM 385 CA LEU A 27 -6.864 0.462 -1.454 1.00 0.00 C ATOM 386 C LEU A 27 -8.300 -0.043 -1.300 1.00 0.00 C ATOM 387 O LEU A 27 -8.695 -0.484 -0.222 1.00 0.00 O ATOM 388 CB LEU A 27 -6.759 1.982 -1.594 1.00 0.00 C ATOM 389 CG LEU A 27 -5.357 2.536 -1.856 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.338 4.061 -1.731 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.326 1.874 -0.940 1.00 0.00 C ATOM 0 H LEU A 27 -6.136 0.389 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.337 0.212 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.411 2.298 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.144 2.438 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.080 2.293 -2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.330 4.429 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.026 4.494 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.644 4.347 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.338 2.286 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.588 2.065 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.316 0.799 -1.120 1.00 0.00 H new ATOM 403 N SER A 28 -9.042 0.037 -2.395 1.00 0.00 N ATOM 404 CA SER A 28 -10.426 -0.407 -2.395 1.00 0.00 C ATOM 405 C SER A 28 -10.485 -1.935 -2.409 1.00 0.00 C ATOM 406 O SER A 28 -11.567 -2.519 -2.374 1.00 0.00 O ATOM 407 CB SER A 28 -11.187 0.164 -3.593 1.00 0.00 C ATOM 408 OG SER A 28 -12.130 1.158 -3.202 1.00 0.00 O ATOM 0 H SER A 28 -8.711 0.402 -3.288 1.00 0.00 H new ATOM 0 HA SER A 28 -10.903 -0.039 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.479 0.595 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.705 -0.643 -4.112 1.00 0.00 H new ATOM 0 HG SER A 28 -12.594 1.499 -3.995 1.00 0.00 H new ATOM 414 N HIS A 29 -9.307 -2.541 -2.459 1.00 0.00 N ATOM 415 CA HIS A 29 -9.211 -3.990 -2.477 1.00 0.00 C ATOM 416 C HIS A 29 -9.328 -4.530 -1.050 1.00 0.00 C ATOM 417 O HIS A 29 -10.077 -5.473 -0.799 1.00 0.00 O ATOM 418 CB HIS A 29 -7.929 -4.441 -3.179 1.00 0.00 C ATOM 419 CG HIS A 29 -8.113 -4.779 -4.639 1.00 0.00 C ATOM 420 ND1 HIS A 29 -7.265 -5.631 -5.324 1.00 0.00 N ATOM 421 CD2 HIS A 29 -9.057 -4.371 -5.535 1.00 0.00 C ATOM 422 CE1 HIS A 29 -7.688 -5.723 -6.577 1.00 0.00 C ATOM 423 NE2 HIS A 29 -8.798 -4.941 -6.706 1.00 0.00 N ATOM 0 H HIS A 29 -8.411 -2.054 -2.488 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.037 -4.406 -3.054 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.182 -3.652 -3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.532 -5.315 -2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -9.876 -3.698 -5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.233 -6.314 -7.359 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.340 -4.815 -7.561 1.00 0.00 H new ATOM 431 N CYS A 30 -8.576 -3.910 -0.154 1.00 0.00 N ATOM 432 CA CYS A 30 -8.586 -4.316 1.242 1.00 0.00 C ATOM 433 C CYS A 30 -7.624 -3.410 2.013 1.00 0.00 C ATOM 434 O CYS A 30 -7.907 -3.019 3.144 1.00 0.00 O ATOM 435 CB CYS A 30 -8.229 -5.795 1.402 1.00 0.00 C ATOM 436 SG CYS A 30 -9.744 -6.775 1.707 1.00 0.00 S ATOM 0 H CYS A 30 -7.955 -3.129 -0.367 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.591 -4.206 1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.727 -6.156 0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.531 -5.922 2.230 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.559 -6.638 0.703 1.00 0.00 H new ATOM 442 N CYS A 31 -6.508 -3.102 1.369 1.00 0.00 N ATOM 443 CA CYS A 31 -5.503 -2.249 1.981 1.00 0.00 C ATOM 444 C CYS A 31 -6.218 -1.105 2.702 1.00 0.00 C ATOM 445 O CYS A 31 -5.779 -0.665 3.763 1.00 0.00 O ATOM 446 CB CYS A 31 -4.495 -1.734 0.951 1.00 0.00 C ATOM 447 SG CYS A 31 -3.594 -3.139 0.200 1.00 0.00 S ATOM 0 H CYS A 31 -6.277 -3.427 0.430 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.924 -2.825 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.012 -1.167 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.790 -1.053 1.428 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.177 -3.485 -0.909 1.00 0.00 H new ATOM 453 N LEU A 32 -7.307 -0.655 2.096 1.00 0.00 N ATOM 454 CA LEU A 32 -8.087 0.430 2.666 1.00 0.00 C ATOM 455 C LEU A 32 -9.558 0.248 2.289 1.00 0.00 C ATOM 456 O LEU A 32 -10.257 1.221 2.014 1.00 0.00 O ATOM 457 CB LEU A 32 -7.508 1.783 2.249 1.00 0.00 C ATOM 458 CG LEU A 32 -6.259 2.240 3.005 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.620 3.453 2.326 1.00 0.00 C ATOM 460 CD2 LEU A 32 -6.577 2.509 4.478 1.00 0.00 C ATOM 0 H LEU A 32 -7.668 -1.022 1.215 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.032 0.408 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.270 1.742 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.281 2.541 2.374 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.528 1.432 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.734 3.757 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.335 3.191 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.335 4.276 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.672 2.832 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.334 3.290 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.952 1.597 4.942 1.00 0.00 H new ATOM 472 N ALA A 33 -9.985 -1.007 2.288 1.00 0.00 N ATOM 473 CA ALA A 33 -11.361 -1.329 1.949 1.00 0.00 C ATOM 474 C ALA A 33 -12.133 -1.656 3.229 1.00 0.00 C ATOM 475 O ALA A 33 -11.713 -2.507 4.012 1.00 0.00 O ATOM 476 CB ALA A 33 -11.382 -2.482 0.944 1.00 0.00 C ATOM 0 H ALA A 33 -9.402 -1.812 2.517 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.851 -0.477 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.414 -2.724 0.689 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.845 -2.188 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -10.902 -3.356 1.383 1.00 0.00 H new ATOM 482 N GLY A 34 -13.250 -0.964 3.401 1.00 0.00 N ATOM 483 CA GLY A 34 -14.085 -1.170 4.572 1.00 0.00 C ATOM 484 C GLY A 34 -14.845 0.107 4.935 1.00 0.00 C ATOM 485 O GLY A 34 -14.920 1.038 4.135 1.00 0.00 O ATOM 0 H GLY A 34 -13.596 -0.260 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.793 -1.977 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.467 -1.481 5.414 1.00 0.00 H new ATOM 489 N LYS A 35 -15.390 0.109 6.143 1.00 0.00 N ATOM 490 CA LYS A 35 -16.142 1.257 6.622 1.00 0.00 C ATOM 491 C LYS A 35 -15.215 2.168 7.429 1.00 0.00 C ATOM 492 O LYS A 35 -15.116 3.362 7.150 1.00 0.00 O ATOM 493 CB LYS A 35 -17.381 0.801 7.395 1.00 0.00 C ATOM 494 CG LYS A 35 -18.184 2.001 7.902 1.00 0.00 C ATOM 495 CD LYS A 35 -17.820 2.331 9.352 1.00 0.00 C ATOM 496 CE LYS A 35 -18.724 1.576 10.328 1.00 0.00 C ATOM 497 NZ LYS A 35 -18.064 0.336 10.794 1.00 0.00 N ATOM 0 H LYS A 35 -15.326 -0.665 6.804 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.516 1.844 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.009 0.185 6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.080 0.178 8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.990 2.867 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -19.250 1.786 7.831 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.778 2.069 9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.914 3.404 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.959 2.212 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.669 1.332 9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.618 -0.489 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.107 0.280 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.003 0.345 11.832 1.00 0.00 H new ATOM 511 N VAL A 36 -14.559 1.570 8.412 1.00 0.00 N ATOM 512 CA VAL A 36 -13.643 2.312 9.261 1.00 0.00 C ATOM 513 C VAL A 36 -12.668 3.102 8.385 1.00 0.00 C ATOM 514 O VAL A 36 -12.291 4.223 8.723 1.00 0.00 O ATOM 515 CB VAL A 36 -12.939 1.360 10.230 1.00 0.00 C ATOM 516 CG1 VAL A 36 -13.955 0.576 11.063 1.00 0.00 C ATOM 517 CG2 VAL A 36 -11.996 0.415 9.482 1.00 0.00 C ATOM 0 H VAL A 36 -14.644 0.579 8.640 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.188 3.032 9.872 1.00 0.00 H new ATOM 0 HB VAL A 36 -12.338 1.960 10.913 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.429 -0.093 11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.567 1.271 11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.594 -0.009 10.401 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -11.508 -0.251 10.194 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -12.566 -0.175 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.241 0.997 8.954 1.00 0.00 H new ATOM 527 N ASN A 37 -12.288 2.485 7.275 1.00 0.00 N ATOM 528 CA ASN A 37 -11.364 3.116 6.348 1.00 0.00 C ATOM 529 C ASN A 37 -12.155 3.774 5.215 1.00 0.00 C ATOM 530 O ASN A 37 -11.650 3.919 4.103 1.00 0.00 O ATOM 531 CB ASN A 37 -10.417 2.087 5.727 1.00 0.00 C ATOM 532 CG ASN A 37 -9.218 1.825 6.641 1.00 0.00 C ATOM 533 OD1 ASN A 37 -8.632 2.728 7.213 1.00 0.00 O ATOM 534 ND2 ASN A 37 -8.888 0.541 6.744 1.00 0.00 N ATOM 0 H ASN A 37 -12.603 1.556 6.997 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.782 3.853 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.953 1.155 5.548 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.069 2.445 4.758 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.101 0.262 7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.422 -0.165 6.237 1.00 0.00 H new ATOM 541 N GLU A 38 -13.383 4.154 5.537 1.00 0.00 N ATOM 542 CA GLU A 38 -14.249 4.793 4.560 1.00 0.00 C ATOM 543 C GLU A 38 -13.875 6.268 4.403 1.00 0.00 C ATOM 544 O GLU A 38 -13.846 6.789 3.289 1.00 0.00 O ATOM 545 CB GLU A 38 -15.721 4.639 4.949 1.00 0.00 C ATOM 546 CG GLU A 38 -16.630 5.349 3.944 1.00 0.00 C ATOM 547 CD GLU A 38 -17.902 5.863 4.623 1.00 0.00 C ATOM 548 OE1 GLU A 38 -17.757 6.703 5.537 1.00 0.00 O ATOM 549 OE2 GLU A 38 -18.989 5.404 4.213 1.00 0.00 O ATOM 0 H GLU A 38 -13.799 4.032 6.460 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.107 4.298 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.980 3.581 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.883 5.051 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -16.094 6.182 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.895 4.663 3.140 1.00 0.00 H new ATOM 556 N PRO A 39 -13.590 6.915 5.565 1.00 0.00 N ATOM 557 CA PRO A 39 -13.218 8.320 5.566 1.00 0.00 C ATOM 558 C PRO A 39 -11.784 8.508 5.069 1.00 0.00 C ATOM 559 O PRO A 39 -11.507 9.421 4.292 1.00 0.00 O ATOM 560 CB PRO A 39 -13.414 8.777 7.003 1.00 0.00 C ATOM 561 CG PRO A 39 -13.439 7.510 7.843 1.00 0.00 C ATOM 562 CD PRO A 39 -13.614 6.330 6.902 1.00 0.00 C ATOM 0 HA PRO A 39 -13.825 8.917 4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.606 9.438 7.317 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.343 9.336 7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.514 7.411 8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.255 7.547 8.565 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.814 5.600 7.029 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.553 5.810 7.090 1.00 0.00 H new ATOM 570 N GLN A 40 -10.909 7.630 5.537 1.00 0.00 N ATOM 571 CA GLN A 40 -9.510 7.689 5.150 1.00 0.00 C ATOM 572 C GLN A 40 -9.353 7.332 3.670 1.00 0.00 C ATOM 573 O GLN A 40 -8.791 8.107 2.898 1.00 0.00 O ATOM 574 CB GLN A 40 -8.659 6.769 6.028 1.00 0.00 C ATOM 575 CG GLN A 40 -7.380 6.346 5.302 1.00 0.00 C ATOM 576 CD GLN A 40 -6.206 6.239 6.277 1.00 0.00 C ATOM 577 OE1 GLN A 40 -5.658 7.226 6.740 1.00 0.00 O ATOM 578 NE2 GLN A 40 -5.852 4.989 6.562 1.00 0.00 N ATOM 0 H GLN A 40 -11.142 6.874 6.181 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.155 8.709 5.298 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.402 7.281 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.236 5.885 6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.537 5.386 4.810 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.144 7.069 4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -6.354 4.208 6.139 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.079 4.811 7.203 1.00 0.00 H new ATOM 587 N LYS A 41 -9.861 6.160 3.320 1.00 0.00 N ATOM 588 CA LYS A 41 -9.785 5.692 1.946 1.00 0.00 C ATOM 589 C LYS A 41 -9.997 6.873 0.997 1.00 0.00 C ATOM 590 O LYS A 41 -9.184 7.111 0.106 1.00 0.00 O ATOM 591 CB LYS A 41 -10.763 4.537 1.719 1.00 0.00 C ATOM 592 CG LYS A 41 -10.859 4.184 0.233 1.00 0.00 C ATOM 593 CD LYS A 41 -12.070 3.291 -0.041 1.00 0.00 C ATOM 594 CE LYS A 41 -13.343 3.894 0.557 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.543 3.322 -0.095 1.00 0.00 N ATOM 0 H LYS A 41 -10.327 5.520 3.964 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.795 5.287 1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.437 3.663 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.748 4.811 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.935 5.097 -0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.948 3.675 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.195 3.162 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.899 2.301 0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.376 3.699 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.334 4.977 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.398 3.742 0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.517 3.530 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.558 2.292 0.048 1.00 0.00 H new ATOM 609 N ASN A 42 -11.095 7.581 1.221 1.00 0.00 N ATOM 610 CA ASN A 42 -11.424 8.731 0.396 1.00 0.00 C ATOM 611 C ASN A 42 -10.247 9.708 0.398 1.00 0.00 C ATOM 612 O ASN A 42 -9.810 10.162 -0.659 1.00 0.00 O ATOM 613 CB ASN A 42 -12.650 9.467 0.942 1.00 0.00 C ATOM 614 CG ASN A 42 -13.942 8.870 0.381 1.00 0.00 C ATOM 615 OD1 ASN A 42 -14.384 9.192 -0.710 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.521 7.983 1.185 1.00 0.00 N ATOM 0 H ASN A 42 -11.767 7.380 1.961 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.636 8.374 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.660 9.407 2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.590 10.524 0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.388 7.527 0.901 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.098 7.759 2.086 1.00 0.00 H new ATOM 623 N ARG A 43 -9.766 10.004 1.597 1.00 0.00 N ATOM 624 CA ARG A 43 -8.648 10.919 1.750 1.00 0.00 C ATOM 625 C ARG A 43 -7.456 10.445 0.916 1.00 0.00 C ATOM 626 O ARG A 43 -6.777 11.253 0.283 1.00 0.00 O ATOM 627 CB ARG A 43 -8.223 11.030 3.216 1.00 0.00 C ATOM 628 CG ARG A 43 -9.225 11.866 4.015 1.00 0.00 C ATOM 629 CD ARG A 43 -8.626 13.221 4.398 1.00 0.00 C ATOM 630 NE ARG A 43 -9.612 14.012 5.166 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.302 15.083 5.909 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.030 15.497 5.989 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.263 15.740 6.573 1.00 0.00 N ATOM 0 H ARG A 43 -10.130 9.626 2.471 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.973 11.900 1.402 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.145 10.034 3.652 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.234 11.484 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.129 12.018 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.518 11.326 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.724 13.074 4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.332 13.764 3.500 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.590 13.724 5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.298 14.997 5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.794 16.312 6.555 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.231 15.425 6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.026 16.555 7.138 1.00 0.00 H new ATOM 647 N ILE A 44 -7.239 9.139 0.941 1.00 0.00 N ATOM 648 CA ILE A 44 -6.141 8.548 0.195 1.00 0.00 C ATOM 649 C ILE A 44 -6.421 8.677 -1.304 1.00 0.00 C ATOM 650 O ILE A 44 -5.551 9.091 -2.068 1.00 0.00 O ATOM 651 CB ILE A 44 -5.895 7.109 0.652 1.00 0.00 C ATOM 652 CG1 ILE A 44 -6.004 6.991 2.174 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.554 6.590 0.131 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.412 8.223 2.863 1.00 0.00 C ATOM 0 H ILE A 44 -7.805 8.473 1.466 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.213 9.084 0.395 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.673 6.477 0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.050 6.877 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.482 6.095 2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.404 5.565 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.553 6.615 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.748 7.219 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.502 8.114 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.360 8.320 2.594 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.952 9.114 2.542 1.00 0.00 H new ATOM 666 N LEU A 45 -7.639 8.315 -1.679 1.00 0.00 N ATOM 667 CA LEU A 45 -8.045 8.386 -3.073 1.00 0.00 C ATOM 668 C LEU A 45 -7.752 9.786 -3.614 1.00 0.00 C ATOM 669 O LEU A 45 -7.203 9.932 -4.706 1.00 0.00 O ATOM 670 CB LEU A 45 -9.506 7.959 -3.228 1.00 0.00 C ATOM 671 CG LEU A 45 -9.826 6.512 -2.848 1.00 0.00 C ATOM 672 CD1 LEU A 45 -11.323 6.331 -2.588 1.00 0.00 C ATOM 673 CD2 LEU A 45 -9.307 5.539 -3.909 1.00 0.00 C ATOM 0 H LEU A 45 -8.358 7.972 -1.042 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.467 7.684 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.123 8.619 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.801 8.115 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.308 6.281 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.523 5.294 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.632 6.983 -1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.882 6.587 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.547 4.517 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.777 5.761 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.226 5.645 -4.002 1.00 0.00 H new ATOM 685 N GLU A 46 -8.132 10.782 -2.827 1.00 0.00 N ATOM 686 CA GLU A 46 -7.917 12.166 -3.214 1.00 0.00 C ATOM 687 C GLU A 46 -6.420 12.477 -3.263 1.00 0.00 C ATOM 688 O GLU A 46 -5.885 12.802 -4.322 1.00 0.00 O ATOM 689 CB GLU A 46 -8.645 13.120 -2.265 1.00 0.00 C ATOM 690 CG GLU A 46 -10.056 12.615 -1.955 1.00 0.00 C ATOM 691 CD GLU A 46 -11.111 13.631 -2.398 1.00 0.00 C ATOM 692 OE1 GLU A 46 -11.065 14.764 -1.872 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.940 13.252 -3.254 1.00 0.00 O ATOM 0 H GLU A 46 -8.588 10.658 -1.923 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.331 12.313 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.079 13.219 -1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.700 14.112 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.226 11.665 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.152 12.428 -0.886 1.00 0.00 H new ATOM 700 N GLU A 47 -5.787 12.367 -2.104 1.00 0.00 N ATOM 701 CA GLU A 47 -4.362 12.633 -2.002 1.00 0.00 C ATOM 702 C GLU A 47 -3.633 12.099 -3.236 1.00 0.00 C ATOM 703 O GLU A 47 -2.832 12.808 -3.844 1.00 0.00 O ATOM 704 CB GLU A 47 -3.783 12.033 -0.719 1.00 0.00 C ATOM 705 CG GLU A 47 -4.158 12.878 0.500 1.00 0.00 C ATOM 706 CD GLU A 47 -3.499 14.257 0.433 1.00 0.00 C ATOM 707 OE1 GLU A 47 -2.268 14.288 0.217 1.00 0.00 O ATOM 708 OE2 GLU A 47 -4.240 15.249 0.601 1.00 0.00 O ATOM 0 H GLU A 47 -6.235 12.097 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.215 13.712 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.154 11.016 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.698 11.968 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.241 12.990 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.848 12.366 1.411 1.00 0.00 H new ATOM 715 N ILE A 48 -3.935 10.852 -3.569 1.00 0.00 N ATOM 716 CA ILE A 48 -3.318 10.215 -4.720 1.00 0.00 C ATOM 717 C ILE A 48 -3.718 10.967 -5.990 1.00 0.00 C ATOM 718 O ILE A 48 -2.868 11.291 -6.818 1.00 0.00 O ATOM 719 CB ILE A 48 -3.661 8.724 -4.754 1.00 0.00 C ATOM 720 CG1 ILE A 48 -3.245 8.036 -3.452 1.00 0.00 C ATOM 721 CG2 ILE A 48 -3.047 8.048 -5.981 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.982 6.706 -3.276 1.00 0.00 C ATOM 0 H ILE A 48 -4.599 10.266 -3.062 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.232 10.268 -4.648 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.743 8.624 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.169 7.862 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.459 8.690 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.306 6.989 -5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.434 8.516 -6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.963 8.156 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.669 6.237 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.057 6.886 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.746 6.046 -4.111 1.00 0.00 H new ATOM 734 N GLU A 49 -5.013 11.224 -6.105 1.00 0.00 N ATOM 735 CA GLU A 49 -5.536 11.932 -7.260 1.00 0.00 C ATOM 736 C GLU A 49 -4.953 13.345 -7.325 1.00 0.00 C ATOM 737 O GLU A 49 -4.871 13.938 -8.400 1.00 0.00 O ATOM 738 CB GLU A 49 -7.065 11.971 -7.234 1.00 0.00 C ATOM 739 CG GLU A 49 -7.651 10.563 -7.355 1.00 0.00 C ATOM 740 CD GLU A 49 -7.893 10.194 -8.820 1.00 0.00 C ATOM 741 OE1 GLU A 49 -8.512 11.025 -9.520 1.00 0.00 O ATOM 742 OE2 GLU A 49 -7.453 9.090 -9.208 1.00 0.00 O ATOM 0 H GLU A 49 -5.715 10.954 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.235 11.393 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.405 12.432 -6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.431 12.592 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.971 9.842 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.589 10.507 -6.802 1.00 0.00 H new ATOM 749 N LYS A 50 -4.563 13.844 -6.162 1.00 0.00 N ATOM 750 CA LYS A 50 -3.990 15.177 -6.073 1.00 0.00 C ATOM 751 C LYS A 50 -2.478 15.093 -6.292 1.00 0.00 C ATOM 752 O LYS A 50 -1.866 16.038 -6.787 1.00 0.00 O ATOM 753 CB LYS A 50 -4.385 15.843 -4.753 1.00 0.00 C ATOM 754 CG LYS A 50 -3.178 15.968 -3.820 1.00 0.00 C ATOM 755 CD LYS A 50 -3.599 16.495 -2.447 1.00 0.00 C ATOM 756 CE LYS A 50 -4.548 17.687 -2.584 1.00 0.00 C ATOM 757 NZ LYS A 50 -4.334 18.649 -1.480 1.00 0.00 N ATOM 0 H LYS A 50 -4.632 13.349 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.391 15.818 -6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.801 16.831 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.167 15.259 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.698 14.996 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.441 16.639 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.087 15.700 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.716 16.792 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.385 18.181 -3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.581 17.340 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.986 19.452 -1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.512 18.178 -0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.353 18.994 -1.505 1.00 0.00 H new ATOM 771 N SER A 51 -1.920 13.952 -5.912 1.00 0.00 N ATOM 772 CA SER A 51 -0.492 13.733 -6.061 1.00 0.00 C ATOM 773 C SER A 51 -0.142 13.549 -7.539 1.00 0.00 C ATOM 774 O SER A 51 -0.772 12.754 -8.236 1.00 0.00 O ATOM 775 CB SER A 51 -0.034 12.517 -5.252 1.00 0.00 C ATOM 776 OG SER A 51 1.383 12.476 -5.106 1.00 0.00 O ATOM 0 H SER A 51 -2.431 13.171 -5.502 1.00 0.00 H new ATOM 0 HA SER A 51 0.030 14.609 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.499 12.541 -4.267 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.374 11.606 -5.743 1.00 0.00 H new ATOM 0 HG SER A 51 1.656 13.089 -4.392 1.00 0.00 H new ATOM 782 N LYS A 52 0.862 14.296 -7.974 1.00 0.00 N ATOM 783 CA LYS A 52 1.304 14.226 -9.357 1.00 0.00 C ATOM 784 C LYS A 52 2.433 13.200 -9.475 1.00 0.00 C ATOM 785 O LYS A 52 3.345 13.366 -10.283 1.00 0.00 O ATOM 786 CB LYS A 52 1.680 15.616 -9.871 1.00 0.00 C ATOM 787 CG LYS A 52 0.431 16.441 -10.186 1.00 0.00 C ATOM 788 CD LYS A 52 -0.286 15.899 -11.423 1.00 0.00 C ATOM 789 CE LYS A 52 -0.834 17.040 -12.284 1.00 0.00 C ATOM 790 NZ LYS A 52 0.264 17.710 -13.016 1.00 0.00 N ATOM 0 H LYS A 52 1.382 14.953 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 52 0.493 13.884 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.283 16.133 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.294 15.522 -10.767 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.246 16.423 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.710 17.482 -10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.404 15.294 -12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.103 15.245 -11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.566 16.650 -12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.353 17.762 -11.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.135 18.326 -13.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.825 18.282 -12.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.875 16.993 -13.457 1.00 0.00 H new ATOM 804 N ALA A 53 2.334 12.161 -8.658 1.00 0.00 N ATOM 805 CA ALA A 53 3.335 11.109 -8.661 1.00 0.00 C ATOM 806 C ALA A 53 2.793 9.897 -9.422 1.00 0.00 C ATOM 807 O ALA A 53 1.587 9.782 -9.634 1.00 0.00 O ATOM 808 CB ALA A 53 3.721 10.767 -7.220 1.00 0.00 C ATOM 0 H ALA A 53 1.575 12.026 -7.990 1.00 0.00 H new ATOM 0 HA ALA A 53 4.239 11.442 -9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.472 9.977 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.127 11.653 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.839 10.427 -6.678 1.00 0.00 H new ATOM 814 N ASN A 54 3.711 9.025 -9.813 1.00 0.00 N ATOM 815 CA ASN A 54 3.340 7.827 -10.546 1.00 0.00 C ATOM 816 C ASN A 54 3.633 6.596 -9.685 1.00 0.00 C ATOM 817 O ASN A 54 3.185 5.494 -9.999 1.00 0.00 O ATOM 818 CB ASN A 54 4.147 7.701 -11.840 1.00 0.00 C ATOM 819 CG ASN A 54 5.618 8.052 -11.606 1.00 0.00 C ATOM 820 OD1 ASN A 54 6.454 7.199 -11.357 1.00 0.00 O ATOM 821 ND2 ASN A 54 5.885 9.351 -11.698 1.00 0.00 N ATOM 0 H ASN A 54 4.711 9.124 -9.636 1.00 0.00 H new ATOM 0 HA ASN A 54 2.279 7.894 -10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.069 6.684 -12.224 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.728 8.361 -12.600 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.838 9.687 -11.557 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.137 10.012 -11.910 1.00 0.00 H new ATOM 828 N HIS A 55 4.382 6.825 -8.617 1.00 0.00 N ATOM 829 CA HIS A 55 4.740 5.749 -7.709 1.00 0.00 C ATOM 830 C HIS A 55 4.031 5.952 -6.368 1.00 0.00 C ATOM 831 O HIS A 55 4.099 7.033 -5.784 1.00 0.00 O ATOM 832 CB HIS A 55 6.259 5.641 -7.566 1.00 0.00 C ATOM 833 CG HIS A 55 6.756 4.235 -7.328 1.00 0.00 C ATOM 834 ND1 HIS A 55 8.078 3.867 -7.504 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.093 3.112 -6.927 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.195 2.578 -7.219 1.00 0.00 C ATOM 837 NE2 HIS A 55 6.964 2.112 -6.862 1.00 0.00 N ATOM 0 H HIS A 55 4.751 7.740 -8.360 1.00 0.00 H new ATOM 0 HA HIS A 55 4.404 4.796 -8.118 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.727 6.033 -8.469 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.582 6.274 -6.739 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.039 3.047 -6.701 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.105 1.998 -7.262 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.748 1.153 -6.590 1.00 0.00 H new ATOM 845 N PHE A 56 3.368 4.896 -5.920 1.00 0.00 N ATOM 846 CA PHE A 56 2.648 4.945 -4.659 1.00 0.00 C ATOM 847 C PHE A 56 2.793 3.629 -3.893 1.00 0.00 C ATOM 848 O PHE A 56 2.355 2.581 -4.365 1.00 0.00 O ATOM 849 CB PHE A 56 1.171 5.165 -4.996 1.00 0.00 C ATOM 850 CG PHE A 56 0.861 6.555 -5.555 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.650 7.598 -4.708 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.797 6.748 -6.900 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.362 8.888 -5.227 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.509 8.038 -7.419 1.00 0.00 C ATOM 855 CZ PHE A 56 0.298 9.080 -6.572 1.00 0.00 C ATOM 0 H PHE A 56 3.314 4.002 -6.408 1.00 0.00 H new ATOM 0 HA PHE A 56 3.047 5.744 -4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.859 4.415 -5.722 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.576 5.005 -4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.702 7.445 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.965 5.920 -7.573 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.194 9.716 -4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.458 8.191 -8.487 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.079 10.061 -6.967 1.00 0.00 H new ATOM 865 N LEU A 57 3.410 3.726 -2.725 1.00 0.00 N ATOM 866 CA LEU A 57 3.619 2.556 -1.889 1.00 0.00 C ATOM 867 C LEU A 57 2.649 2.600 -0.707 1.00 0.00 C ATOM 868 O LEU A 57 2.014 3.623 -0.457 1.00 0.00 O ATOM 869 CB LEU A 57 5.088 2.447 -1.476 1.00 0.00 C ATOM 870 CG LEU A 57 6.022 1.783 -2.489 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.535 2.799 -3.511 1.00 0.00 C ATOM 872 CD2 LEU A 57 7.166 1.052 -1.783 1.00 0.00 C ATOM 0 H LEU A 57 3.772 4.597 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 57 3.401 1.645 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.462 3.450 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.142 1.888 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 57 5.452 1.034 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.197 2.300 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.691 3.234 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.083 3.588 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.815 0.589 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.742 1.763 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.757 0.282 -1.128 1.00 0.00 H new ATOM 884 N ILE A 58 2.566 1.476 -0.009 1.00 0.00 N ATOM 885 CA ILE A 58 1.684 1.373 1.141 1.00 0.00 C ATOM 886 C ILE A 58 2.499 0.957 2.367 1.00 0.00 C ATOM 887 O ILE A 58 3.169 -0.075 2.351 1.00 0.00 O ATOM 888 CB ILE A 58 0.512 0.439 0.836 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.294 0.944 -0.362 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.366 0.238 2.073 1.00 0.00 C ATOM 891 CD1 ILE A 58 -0.752 -0.220 -1.244 1.00 0.00 C ATOM 0 H ILE A 58 3.095 0.629 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 58 1.238 2.342 1.367 1.00 0.00 H new ATOM 0 HB ILE A 58 0.915 -0.537 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.162 1.503 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.313 1.633 -0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.192 -0.430 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.229 -0.199 2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.762 1.200 2.398 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.323 0.166 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.119 -0.762 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.379 -0.894 -0.660 1.00 0.00 H new ATOM 903 N LEU A 59 2.416 1.782 3.401 1.00 0.00 N ATOM 904 CA LEU A 59 3.138 1.512 4.633 1.00 0.00 C ATOM 905 C LEU A 59 2.297 0.593 5.521 1.00 0.00 C ATOM 906 O LEU A 59 1.096 0.806 5.680 1.00 0.00 O ATOM 907 CB LEU A 59 3.544 2.821 5.313 1.00 0.00 C ATOM 908 CG LEU A 59 4.437 2.686 6.549 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.878 2.359 6.151 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.354 3.938 7.424 1.00 0.00 C ATOM 0 H LEU A 59 1.860 2.637 3.411 1.00 0.00 H new ATOM 0 HA LEU A 59 4.069 0.987 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.061 3.442 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.638 3.354 5.600 1.00 0.00 H new ATOM 0 HG LEU A 59 4.071 1.851 7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.491 2.268 7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.899 1.418 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.271 3.157 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.998 3.816 8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.680 4.805 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.325 4.086 7.751 1.00 0.00 H new ATOM 922 N PHE A 60 2.961 -0.410 6.077 1.00 0.00 N ATOM 923 CA PHE A 60 2.290 -1.362 6.945 1.00 0.00 C ATOM 924 C PHE A 60 2.862 -1.310 8.363 1.00 0.00 C ATOM 925 O PHE A 60 3.983 -0.846 8.567 1.00 0.00 O ATOM 926 CB PHE A 60 2.538 -2.753 6.359 1.00 0.00 C ATOM 927 CG PHE A 60 1.947 -2.955 4.962 1.00 0.00 C ATOM 928 CD1 PHE A 60 0.777 -2.348 4.625 1.00 0.00 C ATOM 929 CD2 PHE A 60 2.590 -3.740 4.058 1.00 0.00 C ATOM 930 CE1 PHE A 60 0.228 -2.535 3.329 1.00 0.00 C ATOM 931 CE2 PHE A 60 2.042 -3.927 2.761 1.00 0.00 C ATOM 932 CZ PHE A 60 0.872 -3.321 2.424 1.00 0.00 C ATOM 0 H PHE A 60 3.957 -0.584 5.943 1.00 0.00 H new ATOM 0 HA PHE A 60 1.227 -1.128 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.612 -2.932 6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.117 -3.500 7.032 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.266 -1.724 5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.519 -4.222 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.701 -2.053 3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.554 -4.550 2.043 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.454 -3.464 1.438 1.00 0.00 H new ATOM 942 N ARG A 61 2.066 -1.793 9.306 1.00 0.00 N ATOM 943 CA ARG A 61 2.479 -1.807 10.699 1.00 0.00 C ATOM 944 C ARG A 61 3.320 -3.051 10.991 1.00 0.00 C ATOM 945 O ARG A 61 3.079 -3.751 11.973 1.00 0.00 O ATOM 946 CB ARG A 61 1.268 -1.787 11.633 1.00 0.00 C ATOM 947 CG ARG A 61 1.689 -1.478 13.071 1.00 0.00 C ATOM 948 CD ARG A 61 1.856 0.028 13.282 1.00 0.00 C ATOM 949 NE ARG A 61 0.877 0.512 14.280 1.00 0.00 N ATOM 950 CZ ARG A 61 1.020 1.641 14.987 1.00 0.00 C ATOM 951 NH1 ARG A 61 2.103 2.410 14.810 1.00 0.00 N ATOM 952 NH2 ARG A 61 0.080 2.001 15.872 1.00 0.00 N ATOM 0 H ARG A 61 1.137 -2.177 9.133 1.00 0.00 H new ATOM 0 HA ARG A 61 3.075 -0.912 10.877 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.553 -1.039 11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.761 -2.751 11.598 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.942 -1.865 13.764 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.626 -1.987 13.297 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.869 0.246 13.619 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.715 0.554 12.338 1.00 0.00 H new ATOM 0 HE ARG A 61 0.040 -0.049 14.440 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.819 2.136 14.137 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.212 3.270 15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.744 1.415 16.007 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.189 2.861 16.410 1.00 0.00 H new ATOM 1011 N GLN A 66 -2.366 -4.260 7.000 1.00 0.00 N ATOM 1012 CA GLN A 66 -3.322 -3.177 7.155 1.00 0.00 C ATOM 1013 C GLN A 66 -2.655 -1.833 6.853 1.00 0.00 C ATOM 1014 O GLN A 66 -1.753 -1.408 7.573 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.935 -3.182 8.556 1.00 0.00 C ATOM 1016 CG GLN A 66 -5.329 -3.813 8.543 1.00 0.00 C ATOM 1017 CD GLN A 66 -6.037 -3.606 9.884 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -6.110 -4.492 10.719 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -6.552 -2.391 10.041 1.00 0.00 N ATOM 0 HA GLN A 66 -4.131 -3.328 6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.288 -3.734 9.238 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.998 -2.161 8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.924 -3.374 7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.248 -4.879 8.331 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.454 -1.696 9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.045 -2.153 10.902 1.00 0.00 H new ATOM 1028 N PHE A 67 -3.126 -1.201 5.787 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.586 0.086 5.382 1.00 0.00 C ATOM 1030 C PHE A 67 -2.390 1.003 6.590 1.00 0.00 C ATOM 1031 O PHE A 67 -3.289 1.147 7.417 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.607 0.720 4.435 1.00 0.00 C ATOM 1033 CG PHE A 67 -3.234 2.130 3.973 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.279 3.168 4.851 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.859 2.347 2.684 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -2.934 4.476 4.423 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.513 3.656 2.255 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.558 4.693 3.134 1.00 0.00 C ATOM 0 H PHE A 67 -3.875 -1.556 5.192 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.616 -0.051 4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.722 0.080 3.560 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.576 0.756 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.578 2.996 5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.824 1.524 1.986 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.970 5.299 5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.214 3.828 1.231 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.295 5.689 2.808 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.209 1.601 6.653 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.883 2.501 7.747 1.00 0.00 C ATOM 1050 C ARG A 68 -0.714 3.929 7.226 1.00 0.00 C ATOM 1051 O ARG A 68 -1.060 4.889 7.912 1.00 0.00 O ATOM 1052 CB ARG A 68 0.403 2.067 8.452 1.00 0.00 C ATOM 1053 CG ARG A 68 0.091 1.315 9.748 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.336 2.282 10.854 1.00 0.00 C ATOM 1055 NE ARG A 68 -0.942 1.531 11.976 1.00 0.00 N ATOM 1056 CZ ARG A 68 -2.227 1.154 12.021 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -3.050 1.455 11.008 1.00 0.00 N ATOM 1058 NH2 ARG A 68 -2.689 0.476 13.081 1.00 0.00 N ATOM 0 H ARG A 68 -0.466 1.480 5.964 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.705 2.466 8.462 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.988 1.429 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.014 2.942 8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.702 0.589 9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.970 0.755 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.526 2.847 11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.051 3.005 10.461 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.344 1.285 12.765 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.699 1.971 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.028 1.168 11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.062 0.247 13.853 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.667 0.189 13.116 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.181 4.025 6.016 1.00 0.00 N ATOM 1073 CA ALA A 69 0.038 5.320 5.395 1.00 0.00 C ATOM 1074 C ALA A 69 0.622 5.118 3.996 1.00 0.00 C ATOM 1075 O ALA A 69 1.434 4.218 3.782 1.00 0.00 O ATOM 1076 CB ALA A 69 0.945 6.168 6.289 1.00 0.00 C ATOM 0 H ALA A 69 0.105 3.227 5.450 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.904 5.857 5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.109 7.140 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.471 6.307 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.902 5.662 6.421 1.00 0.00 H new ATOM 1082 N LEU A 70 0.187 5.969 3.079 1.00 0.00 N ATOM 1083 CA LEU A 70 0.657 5.895 1.706 1.00 0.00 C ATOM 1084 C LEU A 70 1.870 6.812 1.536 1.00 0.00 C ATOM 1085 O LEU A 70 2.018 7.792 2.265 1.00 0.00 O ATOM 1086 CB LEU A 70 -0.483 6.196 0.732 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.208 5.886 -0.741 1.00 0.00 C ATOM 1088 CD1 LEU A 70 -0.528 4.425 -1.063 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -0.962 6.854 -1.656 1.00 0.00 C ATOM 0 H LEU A 70 -0.486 6.714 3.260 1.00 0.00 H new ATOM 0 HA LEU A 70 0.987 4.883 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.360 5.629 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.739 7.252 0.819 1.00 0.00 H new ATOM 0 HG LEU A 70 0.856 6.031 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.324 4.231 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.091 3.773 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.580 4.229 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.749 6.611 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.033 6.766 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.642 7.875 -1.449 1.00 0.00 H new ATOM 1101 N TYR A 71 2.706 6.462 0.570 1.00 0.00 N ATOM 1102 CA TYR A 71 3.901 7.242 0.295 1.00 0.00 C ATOM 1103 C TYR A 71 4.233 7.229 -1.198 1.00 0.00 C ATOM 1104 O TYR A 71 3.866 6.296 -1.911 1.00 0.00 O ATOM 1105 CB TYR A 71 5.035 6.561 1.064 1.00 0.00 C ATOM 1106 CG TYR A 71 5.039 6.862 2.564 1.00 0.00 C ATOM 1107 CD1 TYR A 71 4.123 6.248 3.393 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.959 7.748 3.087 1.00 0.00 C ATOM 1109 CE1 TYR A 71 4.126 6.532 4.805 1.00 0.00 C ATOM 1110 CE2 TYR A 71 5.962 8.032 4.499 1.00 0.00 C ATOM 1111 CZ TYR A 71 5.046 7.409 5.288 1.00 0.00 C ATOM 1112 OH TYR A 71 5.049 7.677 6.622 1.00 0.00 O ATOM 0 H TYR A 71 2.580 5.649 -0.032 1.00 0.00 H new ATOM 0 HA TYR A 71 3.758 8.281 0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.961 5.483 0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.988 6.875 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 71 3.404 5.554 2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.676 8.228 2.438 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.414 6.059 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.675 8.724 4.922 1.00 0.00 H new ATOM 0 HH TYR A 71 4.516 7.002 7.092 1.00 0.00 H new ATOM 1122 N THR A 72 4.924 8.275 -1.628 1.00 0.00 N ATOM 1123 CA THR A 72 5.309 8.396 -3.023 1.00 0.00 C ATOM 1124 C THR A 72 6.817 8.188 -3.180 1.00 0.00 C ATOM 1125 O THR A 72 7.609 8.807 -2.471 1.00 0.00 O ATOM 1126 CB THR A 72 4.827 9.756 -3.531 1.00 0.00 C ATOM 1127 OG1 THR A 72 5.030 10.631 -2.425 1.00 0.00 O ATOM 1128 CG2 THR A 72 3.315 9.792 -3.763 1.00 0.00 C ATOM 0 H THR A 72 5.227 9.047 -1.034 1.00 0.00 H new ATOM 0 HA THR A 72 4.841 7.622 -3.631 1.00 0.00 H new ATOM 0 HB THR A 72 5.342 10.000 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.745 11.537 -2.668 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.026 10.779 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.043 9.041 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.798 9.581 -2.827 1.00 0.00 H new ATOM 1136 N LEU A 73 7.168 7.315 -4.112 1.00 0.00 N ATOM 1137 CA LEU A 73 8.567 7.018 -4.371 1.00 0.00 C ATOM 1138 C LEU A 73 9.134 8.058 -5.339 1.00 0.00 C ATOM 1139 O LEU A 73 8.515 8.368 -6.356 1.00 0.00 O ATOM 1140 CB LEU A 73 8.728 5.576 -4.855 1.00 0.00 C ATOM 1141 CG LEU A 73 10.127 5.180 -5.330 1.00 0.00 C ATOM 1142 CD1 LEU A 73 11.199 5.700 -4.371 1.00 0.00 C ATOM 1143 CD2 LEU A 73 10.228 3.667 -5.537 1.00 0.00 C ATOM 0 H LEU A 73 6.508 6.803 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 73 9.148 7.088 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.438 4.907 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.027 5.408 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 73 10.305 5.650 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.184 5.405 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.143 6.787 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.035 5.279 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.233 3.412 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.021 3.156 -4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.502 3.353 -6.288 1.00 0.00 H new ATOM 1155 N SER A 74 10.305 8.569 -4.989 1.00 0.00 N ATOM 1156 CA SER A 74 10.963 9.568 -5.814 1.00 0.00 C ATOM 1157 C SER A 74 11.715 8.888 -6.960 1.00 0.00 C ATOM 1158 O SER A 74 12.618 8.086 -6.726 1.00 0.00 O ATOM 1159 CB SER A 74 11.922 10.423 -4.984 1.00 0.00 C ATOM 1160 OG SER A 74 11.249 11.490 -4.320 1.00 0.00 O ATOM 0 H SER A 74 10.815 8.310 -4.145 1.00 0.00 H new ATOM 0 HA SER A 74 10.199 10.226 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.422 9.795 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.697 10.831 -5.632 1.00 0.00 H new ATOM 0 HG SER A 74 11.896 12.011 -3.800 1.00 0.00 H new ATOM 1166 N GLY A 75 11.314 9.233 -8.175 1.00 0.00 N ATOM 1167 CA GLY A 75 11.938 8.665 -9.358 1.00 0.00 C ATOM 1168 C GLY A 75 13.369 9.181 -9.524 1.00 0.00 C ATOM 1169 O GLY A 75 14.167 8.586 -10.245 1.00 0.00 O ATOM 0 H GLY A 75 10.565 9.899 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.946 7.578 -9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.351 8.919 -10.241 1.00 0.00 H new ATOM 1173 N GLU A 76 13.649 10.284 -8.844 1.00 0.00 N ATOM 1174 CA GLU A 76 14.969 10.887 -8.907 1.00 0.00 C ATOM 1175 C GLU A 76 15.972 10.053 -8.109 1.00 0.00 C ATOM 1176 O GLU A 76 17.154 10.005 -8.447 1.00 0.00 O ATOM 1177 CB GLU A 76 14.936 12.332 -8.407 1.00 0.00 C ATOM 1178 CG GLU A 76 14.532 12.393 -6.932 1.00 0.00 C ATOM 1179 CD GLU A 76 13.234 13.184 -6.751 1.00 0.00 C ATOM 1180 OE1 GLU A 76 12.198 12.697 -7.253 1.00 0.00 O ATOM 1181 OE2 GLU A 76 13.309 14.257 -6.115 1.00 0.00 O ATOM 0 H GLU A 76 12.984 10.775 -8.247 1.00 0.00 H new ATOM 0 HA GLU A 76 15.289 10.905 -9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.917 12.788 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.232 12.911 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.403 11.382 -6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.329 12.858 -6.352 1.00 0.00 H new ATOM 1188 N THR A 77 15.465 9.416 -7.064 1.00 0.00 N ATOM 1189 CA THR A 77 16.302 8.585 -6.214 1.00 0.00 C ATOM 1190 C THR A 77 15.590 7.272 -5.885 1.00 0.00 C ATOM 1191 O THR A 77 14.847 6.741 -6.708 1.00 0.00 O ATOM 1192 CB THR A 77 16.675 9.402 -4.975 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.442 9.557 -4.278 1.00 0.00 O ATOM 1194 CG2 THR A 77 17.089 10.834 -5.320 1.00 0.00 C ATOM 0 H THR A 77 14.485 9.458 -6.786 1.00 0.00 H new ATOM 0 HA THR A 77 17.223 8.300 -6.722 1.00 0.00 H new ATOM 0 HB THR A 77 17.489 8.906 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.592 10.074 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 77 17.343 11.370 -4.405 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.955 10.813 -5.981 1.00 0.00 H new ATOM 0 HG23 THR A 77 16.264 11.341 -5.820 1.00 0.00 H new ATOM 1202 N GLU A 78 15.844 6.785 -4.679 1.00 0.00 N ATOM 1203 CA GLU A 78 15.237 5.543 -4.231 1.00 0.00 C ATOM 1204 C GLU A 78 14.445 5.774 -2.942 1.00 0.00 C ATOM 1205 O GLU A 78 13.850 4.845 -2.400 1.00 0.00 O ATOM 1206 CB GLU A 78 16.295 4.455 -4.036 1.00 0.00 C ATOM 1207 CG GLU A 78 17.076 4.211 -5.329 1.00 0.00 C ATOM 1208 CD GLU A 78 18.009 3.007 -5.186 1.00 0.00 C ATOM 1209 OE1 GLU A 78 17.481 1.875 -5.198 1.00 0.00 O ATOM 1210 OE2 GLU A 78 19.231 3.247 -5.070 1.00 0.00 O ATOM 0 H GLU A 78 16.462 7.228 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 78 14.547 5.200 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.982 4.749 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.816 3.530 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.381 4.042 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.657 5.098 -5.580 1.00 0.00 H new ATOM 1217 N GLU A 79 14.462 7.020 -2.491 1.00 0.00 N ATOM 1218 CA GLU A 79 13.752 7.385 -1.276 1.00 0.00 C ATOM 1219 C GLU A 79 12.272 7.629 -1.579 1.00 0.00 C ATOM 1220 O GLU A 79 11.893 7.808 -2.736 1.00 0.00 O ATOM 1221 CB GLU A 79 14.386 8.613 -0.619 1.00 0.00 C ATOM 1222 CG GLU A 79 15.754 8.271 -0.024 1.00 0.00 C ATOM 1223 CD GLU A 79 16.780 8.003 -1.126 1.00 0.00 C ATOM 1224 OE1 GLU A 79 17.192 8.991 -1.771 1.00 0.00 O ATOM 1225 OE2 GLU A 79 17.130 6.815 -1.299 1.00 0.00 O ATOM 0 H GLU A 79 14.956 7.789 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 79 13.827 6.557 -0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.494 9.409 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.729 8.991 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.097 9.093 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.667 7.394 0.617 1.00 0.00 H new ATOM 1232 N LEU A 80 11.476 7.627 -0.520 1.00 0.00 N ATOM 1233 CA LEU A 80 10.047 7.845 -0.658 1.00 0.00 C ATOM 1234 C LEU A 80 9.683 9.206 -0.061 1.00 0.00 C ATOM 1235 O LEU A 80 10.564 9.988 0.293 1.00 0.00 O ATOM 1236 CB LEU A 80 9.265 6.678 -0.051 1.00 0.00 C ATOM 1237 CG LEU A 80 9.313 5.362 -0.829 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.727 4.203 0.080 1.00 0.00 C ATOM 1239 CD2 LEU A 80 7.981 5.092 -1.532 1.00 0.00 C ATOM 0 H LEU A 80 11.794 7.478 0.438 1.00 0.00 H new ATOM 0 HA LEU A 80 9.766 7.873 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.644 6.497 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.222 6.979 0.051 1.00 0.00 H new ATOM 0 HG LEU A 80 10.074 5.451 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.753 3.279 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.716 4.401 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.007 4.103 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.042 4.150 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.184 5.031 -0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.767 5.902 -2.229 1.00 0.00 H new ATOM 1251 N SER A 81 8.383 9.447 0.032 1.00 0.00 N ATOM 1252 CA SER A 81 7.892 10.700 0.580 1.00 0.00 C ATOM 1253 C SER A 81 6.521 10.488 1.225 1.00 0.00 C ATOM 1254 O SER A 81 5.649 9.846 0.641 1.00 0.00 O ATOM 1255 CB SER A 81 7.808 11.779 -0.502 1.00 0.00 C ATOM 1256 OG SER A 81 7.240 12.988 -0.006 1.00 0.00 O ATOM 0 H SER A 81 7.655 8.796 -0.263 1.00 0.00 H new ATOM 0 HA SER A 81 8.596 11.039 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.806 11.980 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.209 11.412 -1.335 1.00 0.00 H new ATOM 0 HG SER A 81 7.205 13.652 -0.726 1.00 0.00 H new ATOM 1262 N ARG A 82 6.374 11.039 2.421 1.00 0.00 N ATOM 1263 CA ARG A 82 5.124 10.917 3.152 1.00 0.00 C ATOM 1264 C ARG A 82 4.015 11.696 2.441 1.00 0.00 C ATOM 1265 O ARG A 82 3.978 12.924 2.501 1.00 0.00 O ATOM 1266 CB ARG A 82 5.269 11.441 4.582 1.00 0.00 C ATOM 1267 CG ARG A 82 3.958 11.290 5.357 1.00 0.00 C ATOM 1268 CD ARG A 82 3.821 12.381 6.420 1.00 0.00 C ATOM 1269 NE ARG A 82 2.512 13.059 6.284 1.00 0.00 N ATOM 1270 CZ ARG A 82 2.255 14.294 6.735 1.00 0.00 C ATOM 1271 NH1 ARG A 82 3.216 14.995 7.353 1.00 0.00 N ATOM 1272 NH2 ARG A 82 1.038 14.829 6.567 1.00 0.00 N ATOM 0 H ARG A 82 7.099 11.571 2.902 1.00 0.00 H new ATOM 0 HA ARG A 82 4.864 9.859 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.063 10.897 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.564 12.490 4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.116 11.342 4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.922 10.309 5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.912 11.945 7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.628 13.106 6.315 1.00 0.00 H new ATOM 0 HE ARG A 82 1.758 12.554 5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.143 14.588 7.480 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.021 15.935 7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.307 14.296 6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.842 15.769 6.910 1.00 0.00 H new ATOM 1286 N LEU A 83 3.140 10.951 1.783 1.00 0.00 N ATOM 1287 CA LEU A 83 2.033 11.556 1.062 1.00 0.00 C ATOM 1288 C LEU A 83 0.913 11.897 2.047 1.00 0.00 C ATOM 1289 O LEU A 83 0.545 13.061 2.196 1.00 0.00 O ATOM 1290 CB LEU A 83 1.587 10.653 -0.090 1.00 0.00 C ATOM 1291 CG LEU A 83 0.400 11.156 -0.915 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.745 12.463 -1.631 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.086 10.080 -1.888 1.00 0.00 C ATOM 0 H LEU A 83 3.175 9.933 1.734 1.00 0.00 H new ATOM 0 HA LEU A 83 2.346 12.492 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.434 10.507 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.332 9.675 0.319 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.424 11.370 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.115 12.799 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.006 13.223 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.591 12.300 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.930 10.463 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.723 9.812 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.398 9.198 -1.329 1.00 0.00 H new ATOM 1305 N ALA A 84 0.402 10.859 2.693 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.669 11.034 3.660 1.00 0.00 C ATOM 1307 C ALA A 84 -0.582 9.931 4.716 1.00 0.00 C ATOM 1308 O ALA A 84 0.124 8.941 4.529 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.016 11.040 2.934 1.00 0.00 C ATOM 0 H ALA A 84 0.709 9.895 2.566 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.570 11.991 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.819 11.171 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.038 11.859 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.151 10.094 2.410 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.309 10.139 5.804 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.322 9.174 6.891 1.00 0.00 C ATOM 1317 C GLY A 85 -0.584 9.718 8.116 1.00 0.00 C ATOM 1318 O GLY A 85 -0.970 10.745 8.673 1.00 0.00 O ATOM 0 H GLY A 85 -1.893 10.961 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.352 8.936 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.855 8.245 6.563 1.00 0.00 H new ATOM 1322 N TYR A 86 0.466 9.006 8.500 1.00 0.00 N ATOM 1323 CA TYR A 86 1.261 9.404 9.648 1.00 0.00 C ATOM 1324 C TYR A 86 2.477 8.491 9.816 1.00 0.00 C ATOM 1325 O TYR A 86 2.331 7.286 10.014 1.00 0.00 O ATOM 1326 CB TYR A 86 0.350 9.249 10.867 1.00 0.00 C ATOM 1327 CG TYR A 86 1.065 9.434 12.207 1.00 0.00 C ATOM 1328 CD1 TYR A 86 1.740 8.376 12.781 1.00 0.00 C ATOM 1329 CD2 TYR A 86 1.036 10.659 12.841 1.00 0.00 C ATOM 1330 CE1 TYR A 86 2.413 8.550 14.041 1.00 0.00 C ATOM 1331 CE2 TYR A 86 1.709 10.833 14.102 1.00 0.00 C ATOM 1332 CZ TYR A 86 2.365 9.770 14.640 1.00 0.00 C ATOM 1333 OH TYR A 86 3.001 9.935 15.831 1.00 0.00 O ATOM 0 H TYR A 86 0.784 8.155 8.035 1.00 0.00 H new ATOM 0 HA TYR A 86 1.626 10.424 9.526 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.461 9.974 10.796 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.105 8.259 10.844 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.763 7.417 12.284 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.509 11.487 12.392 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.944 7.730 14.501 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.693 11.786 14.609 1.00 0.00 H new ATOM 0 HH TYR A 86 2.883 10.857 16.140 1.00 0.00 H new ATOM 1343 N GLY A 87 3.651 9.100 9.731 1.00 0.00 N ATOM 1344 CA GLY A 87 4.892 8.357 9.871 1.00 0.00 C ATOM 1345 C GLY A 87 6.102 9.260 9.628 1.00 0.00 C ATOM 1346 O GLY A 87 6.050 10.460 9.893 1.00 0.00 O ATOM 0 H GLY A 87 3.769 10.100 9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.951 7.925 10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.905 7.527 9.164 1.00 0.00 H new ATOM 1350 N PRO A 88 7.193 8.633 9.112 1.00 0.00 N ATOM 1351 CA PRO A 88 8.415 9.367 8.829 1.00 0.00 C ATOM 1352 C PRO A 88 8.264 10.218 7.567 1.00 0.00 C ATOM 1353 O PRO A 88 7.899 9.707 6.509 1.00 0.00 O ATOM 1354 CB PRO A 88 9.493 8.303 8.703 1.00 0.00 C ATOM 1355 CG PRO A 88 8.760 6.994 8.457 1.00 0.00 C ATOM 1356 CD PRO A 88 7.292 7.214 8.784 1.00 0.00 C ATOM 0 HA PRO A 88 8.668 10.080 9.613 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.172 8.531 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.096 8.249 9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.877 6.680 7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.175 6.201 9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.655 6.958 7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.975 6.591 9.621 1.00 0.00 H new ATOM 1364 N ARG A 89 8.553 11.502 7.719 1.00 0.00 N ATOM 1365 CA ARG A 89 8.454 12.429 6.605 1.00 0.00 C ATOM 1366 C ARG A 89 8.931 11.760 5.314 1.00 0.00 C ATOM 1367 O ARG A 89 8.318 11.927 4.260 1.00 0.00 O ATOM 1368 CB ARG A 89 9.288 13.686 6.858 1.00 0.00 C ATOM 1369 CG ARG A 89 9.287 14.601 5.632 1.00 0.00 C ATOM 1370 CD ARG A 89 9.958 15.940 5.946 1.00 0.00 C ATOM 1371 NE ARG A 89 9.212 16.642 7.013 1.00 0.00 N ATOM 1372 CZ ARG A 89 9.439 16.475 8.323 1.00 0.00 C ATOM 1373 NH1 ARG A 89 10.392 15.629 8.735 1.00 0.00 N ATOM 1374 NH2 ARG A 89 8.713 17.155 9.221 1.00 0.00 N ATOM 0 H ARG A 89 8.856 11.922 8.598 1.00 0.00 H new ATOM 0 HA ARG A 89 7.407 12.716 6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.889 14.224 7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.312 13.404 7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.809 14.113 4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.262 14.772 5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.989 15.775 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.993 16.558 5.049 1.00 0.00 H new ATOM 0 HE ARG A 89 8.479 17.294 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.945 15.112 8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.565 15.502 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.988 17.800 8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.886 17.028 10.218 1.00 0.00 H new ATOM 1388 N THR A 90 10.020 11.016 5.439 1.00 0.00 N ATOM 1389 CA THR A 90 10.586 10.321 4.295 1.00 0.00 C ATOM 1390 C THR A 90 11.006 8.903 4.687 1.00 0.00 C ATOM 1391 O THR A 90 11.037 8.565 5.870 1.00 0.00 O ATOM 1392 CB THR A 90 11.739 11.167 3.751 1.00 0.00 C ATOM 1393 OG1 THR A 90 11.097 12.154 2.949 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.615 10.396 2.762 1.00 0.00 C ATOM 0 H THR A 90 10.525 10.879 6.314 1.00 0.00 H new ATOM 0 HA THR A 90 9.849 10.201 3.501 1.00 0.00 H new ATOM 0 HB THR A 90 12.352 11.520 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.772 12.748 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.418 11.042 2.407 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.043 9.525 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 90 12.009 10.071 1.916 1.00 0.00 H new ATOM 1402 N VAL A 91 11.318 8.110 3.672 1.00 0.00 N ATOM 1403 CA VAL A 91 11.735 6.736 3.896 1.00 0.00 C ATOM 1404 C VAL A 91 12.856 6.382 2.917 1.00 0.00 C ATOM 1405 O VAL A 91 12.760 6.674 1.726 1.00 0.00 O ATOM 1406 CB VAL A 91 10.529 5.800 3.789 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.965 4.335 3.863 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.491 6.118 4.866 1.00 0.00 C ATOM 0 H VAL A 91 11.290 8.393 2.692 1.00 0.00 H new ATOM 0 HA VAL A 91 12.134 6.617 4.903 1.00 0.00 H new ATOM 0 HB VAL A 91 10.063 5.963 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.090 3.690 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.650 4.117 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.466 4.152 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.644 5.438 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.941 5.997 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.147 7.146 4.748 1.00 0.00 H new ATOM 1418 N THR A 92 13.893 5.757 3.456 1.00 0.00 N ATOM 1419 CA THR A 92 15.031 5.360 2.644 1.00 0.00 C ATOM 1420 C THR A 92 15.028 3.845 2.428 1.00 0.00 C ATOM 1421 O THR A 92 14.356 3.112 3.151 1.00 0.00 O ATOM 1422 CB THR A 92 16.300 5.874 3.326 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.342 5.165 4.562 1.00 0.00 O ATOM 1424 CG2 THR A 92 16.187 7.342 3.743 1.00 0.00 C ATOM 0 H THR A 92 13.969 5.516 4.444 1.00 0.00 H new ATOM 0 HA THR A 92 14.980 5.799 1.648 1.00 0.00 H new ATOM 0 HB THR A 92 17.148 5.752 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.136 5.437 5.068 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.114 7.657 4.222 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.007 7.958 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.359 7.459 4.443 1.00 0.00 H new ATOM 1432 N PRO A 93 15.808 3.410 1.402 1.00 0.00 N ATOM 1433 CA PRO A 93 15.902 1.996 1.081 1.00 0.00 C ATOM 1434 C PRO A 93 16.772 1.259 2.101 1.00 0.00 C ATOM 1435 O PRO A 93 16.875 0.034 2.064 1.00 0.00 O ATOM 1436 CB PRO A 93 16.470 1.950 -0.328 1.00 0.00 C ATOM 1437 CG PRO A 93 17.105 3.310 -0.567 1.00 0.00 C ATOM 1438 CD PRO A 93 16.618 4.250 0.524 1.00 0.00 C ATOM 0 HA PRO A 93 14.938 1.489 1.124 1.00 0.00 H new ATOM 0 HB2 PRO A 93 17.207 1.153 -0.426 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.686 1.751 -1.059 1.00 0.00 H new ATOM 0 HG2 PRO A 93 18.192 3.233 -0.547 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.831 3.692 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.453 4.697 1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.032 5.069 0.108 1.00 0.00 H new ATOM 1446 N ALA A 94 17.377 2.037 2.987 1.00 0.00 N ATOM 1447 CA ALA A 94 18.236 1.473 4.015 1.00 0.00 C ATOM 1448 C ALA A 94 17.399 1.163 5.258 1.00 0.00 C ATOM 1449 O ALA A 94 17.877 0.512 6.185 1.00 0.00 O ATOM 1450 CB ALA A 94 19.382 2.442 4.311 1.00 0.00 C ATOM 0 H ALA A 94 17.289 3.053 3.014 1.00 0.00 H new ATOM 0 HA ALA A 94 18.680 0.538 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 94 20.026 2.019 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.963 2.607 3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.975 3.391 4.659 1.00 0.00 H new ATOM 1456 N MET A 95 16.164 1.643 5.236 1.00 0.00 N ATOM 1457 CA MET A 95 15.257 1.425 6.349 1.00 0.00 C ATOM 1458 C MET A 95 14.211 0.362 6.005 1.00 0.00 C ATOM 1459 O MET A 95 13.667 -0.290 6.894 1.00 0.00 O ATOM 1460 CB MET A 95 14.553 2.738 6.699 1.00 0.00 C ATOM 1461 CG MET A 95 15.456 3.633 7.552 1.00 0.00 C ATOM 1462 SD MET A 95 14.466 4.611 8.669 1.00 0.00 S ATOM 1463 CE MET A 95 13.114 5.045 7.587 1.00 0.00 C ATOM 0 H MET A 95 15.771 2.182 4.465 1.00 0.00 H new ATOM 0 HA MET A 95 15.838 1.074 7.202 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.276 3.261 5.784 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.629 2.527 7.238 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.159 3.021 8.117 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.046 4.286 6.909 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.663 5.978 7.924 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.487 5.169 6.570 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.365 4.253 7.605 1.00 0.00 H new ATOM 1473 N VAL A 96 13.963 0.220 4.711 1.00 0.00 N ATOM 1474 CA VAL A 96 12.993 -0.753 4.238 1.00 0.00 C ATOM 1475 C VAL A 96 13.511 -2.164 4.523 1.00 0.00 C ATOM 1476 O VAL A 96 14.620 -2.515 4.121 1.00 0.00 O ATOM 1477 CB VAL A 96 12.692 -0.514 2.757 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.920 -0.811 1.893 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.488 -1.342 2.301 1.00 0.00 C ATOM 0 H VAL A 96 14.417 0.762 3.976 1.00 0.00 H new ATOM 0 HA VAL A 96 12.048 -0.640 4.770 1.00 0.00 H new ATOM 0 HB VAL A 96 12.441 0.539 2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.679 -0.633 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.741 -0.160 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.215 -1.852 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.296 -1.153 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.698 -2.401 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.611 -1.062 2.885 1.00 0.00 H new ATOM 1489 N GLU A 97 12.685 -2.936 5.213 1.00 0.00 N ATOM 1490 CA GLU A 97 13.046 -4.301 5.557 1.00 0.00 C ATOM 1491 C GLU A 97 12.704 -5.246 4.403 1.00 0.00 C ATOM 1492 O GLU A 97 13.560 -5.997 3.937 1.00 0.00 O ATOM 1493 CB GLU A 97 12.357 -4.741 6.849 1.00 0.00 C ATOM 1494 CG GLU A 97 12.842 -6.125 7.285 1.00 0.00 C ATOM 1495 CD GLU A 97 11.945 -6.700 8.383 1.00 0.00 C ATOM 1496 OE1 GLU A 97 11.744 -5.981 9.386 1.00 0.00 O ATOM 1497 OE2 GLU A 97 11.482 -7.846 8.196 1.00 0.00 O ATOM 0 H GLU A 97 11.766 -2.642 5.544 1.00 0.00 H new ATOM 0 HA GLU A 97 14.122 -4.341 5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.558 -4.016 7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.277 -4.760 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.850 -6.798 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.868 -6.057 7.647 1.00 0.00 H new ATOM 1504 N GLY A 98 11.452 -5.179 3.976 1.00 0.00 N ATOM 1505 CA GLY A 98 10.987 -6.019 2.886 1.00 0.00 C ATOM 1506 C GLY A 98 10.147 -5.214 1.893 1.00 0.00 C ATOM 1507 O GLY A 98 9.601 -4.168 2.240 1.00 0.00 O ATOM 0 H GLY A 98 10.745 -4.556 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.841 -6.460 2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.395 -6.843 3.284 1.00 0.00 H new ATOM 1511 N ILE A 99 10.069 -5.733 0.676 1.00 0.00 N ATOM 1512 CA ILE A 99 9.305 -5.075 -0.370 1.00 0.00 C ATOM 1513 C ILE A 99 8.383 -6.096 -1.041 1.00 0.00 C ATOM 1514 O ILE A 99 8.680 -7.289 -1.057 1.00 0.00 O ATOM 1515 CB ILE A 99 10.240 -4.357 -1.346 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.542 -5.138 -1.533 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.495 -2.916 -0.900 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.351 -4.582 -2.707 1.00 0.00 C ATOM 0 H ILE A 99 10.522 -6.601 0.391 1.00 0.00 H new ATOM 0 HA ILE A 99 8.668 -4.299 0.055 1.00 0.00 H new ATOM 0 HB ILE A 99 9.750 -4.312 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.136 -5.086 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.317 -6.190 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.162 -2.428 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.550 -2.375 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.955 -2.917 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.272 -5.155 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.764 -4.658 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.595 -3.537 -2.518 1.00 0.00 H new ATOM 1530 N TYR A 100 7.283 -5.589 -1.578 1.00 0.00 N ATOM 1531 CA TYR A 100 6.316 -6.441 -2.248 1.00 0.00 C ATOM 1532 C TYR A 100 5.694 -5.726 -3.449 1.00 0.00 C ATOM 1533 O TYR A 100 5.732 -4.500 -3.534 1.00 0.00 O ATOM 1534 CB TYR A 100 5.221 -6.728 -1.218 1.00 0.00 C ATOM 1535 CG TYR A 100 5.751 -7.184 0.143 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.355 -6.275 0.988 1.00 0.00 C ATOM 1537 CD2 TYR A 100 5.625 -8.504 0.526 1.00 0.00 C ATOM 1538 CE1 TYR A 100 6.854 -6.704 2.269 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.124 -8.933 1.807 1.00 0.00 C ATOM 1540 CZ TYR A 100 6.714 -8.012 2.615 1.00 0.00 C ATOM 1541 OH TYR A 100 7.185 -8.417 3.825 1.00 0.00 O ATOM 0 H TYR A 100 7.040 -4.598 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 100 6.794 -7.349 -2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.621 -5.828 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.557 -7.496 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.453 -5.242 0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.152 -9.215 -0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.329 -6.003 2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.032 -9.963 2.119 1.00 0.00 H new ATOM 0 HH TYR A 100 7.015 -9.376 3.938 1.00 0.00 H new ATOM 1551 N LYS A 101 5.138 -6.524 -4.349 1.00 0.00 N ATOM 1552 CA LYS A 101 4.509 -5.983 -5.542 1.00 0.00 C ATOM 1553 C LYS A 101 3.012 -6.295 -5.511 1.00 0.00 C ATOM 1554 O LYS A 101 2.524 -6.921 -4.570 1.00 0.00 O ATOM 1555 CB LYS A 101 5.217 -6.492 -6.799 1.00 0.00 C ATOM 1556 CG LYS A 101 4.829 -7.941 -7.098 1.00 0.00 C ATOM 1557 CD LYS A 101 6.013 -8.884 -6.871 1.00 0.00 C ATOM 1558 CE LYS A 101 7.170 -8.547 -7.813 1.00 0.00 C ATOM 1559 NZ LYS A 101 7.876 -9.780 -8.229 1.00 0.00 N ATOM 0 H LYS A 101 5.110 -7.541 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 101 4.608 -4.898 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.957 -5.860 -7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.297 -6.421 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.996 -8.237 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.486 -8.024 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.348 -8.810 -5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.697 -9.915 -7.031 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.791 -8.024 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.867 -7.872 -7.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 8.658 -9.533 -8.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.254 -10.264 -7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.212 -10.411 -8.722 1.00 0.00 H new ATOM 1573 N TYR A 102 2.324 -5.846 -6.550 1.00 0.00 N ATOM 1574 CA TYR A 102 0.892 -6.070 -6.654 1.00 0.00 C ATOM 1575 C TYR A 102 0.554 -6.894 -7.898 1.00 0.00 C ATOM 1576 O TYR A 102 0.767 -6.442 -9.022 1.00 0.00 O ATOM 1577 CB TYR A 102 0.257 -4.684 -6.786 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.270 -4.707 -6.888 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.879 -5.239 -8.006 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.037 -4.194 -5.862 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.316 -5.260 -8.102 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.474 -4.215 -5.958 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.042 -4.747 -7.073 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.399 -4.767 -7.163 1.00 0.00 O ATOM 0 H TYR A 102 2.732 -5.328 -7.328 1.00 0.00 H new ATOM 0 HA TYR A 102 0.525 -6.617 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.545 -4.080 -5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.663 -4.192 -7.670 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.278 -5.640 -8.809 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.560 -3.777 -4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.806 -5.674 -8.971 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.086 -3.817 -5.162 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.787 -4.742 -6.263 1.00 0.00 H new ATOM 1594 N ASN A 103 0.034 -8.088 -7.655 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.335 -8.978 -8.742 1.00 0.00 C ATOM 1596 C ASN A 103 -1.660 -8.513 -9.350 1.00 0.00 C ATOM 1597 O ASN A 103 -2.727 -8.785 -8.802 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.523 -10.411 -8.240 1.00 0.00 C ATOM 1599 CG ASN A 103 0.712 -11.263 -8.540 1.00 0.00 C ATOM 1600 OD1 ASN A 103 0.796 -11.950 -9.544 1.00 0.00 O ATOM 1601 ND2 ASN A 103 1.664 -11.180 -7.614 1.00 0.00 N ATOM 0 H ASN A 103 -0.140 -8.460 -6.721 1.00 0.00 H new ATOM 0 HA ASN A 103 0.465 -8.956 -9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.711 -10.402 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.399 -10.854 -8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.528 -11.711 -7.722 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.530 -10.585 -6.796 1.00 0.00 H new ATOM 1608 N SER A 104 -1.548 -7.820 -10.473 1.00 0.00 N ATOM 1609 CA SER A 104 -2.724 -7.314 -11.161 1.00 0.00 C ATOM 1610 C SER A 104 -3.304 -8.398 -12.072 1.00 0.00 C ATOM 1611 O SER A 104 -4.203 -8.129 -12.867 1.00 0.00 O ATOM 1612 CB SER A 104 -2.391 -6.061 -11.972 1.00 0.00 C ATOM 1613 OG SER A 104 -2.929 -4.882 -11.379 1.00 0.00 O ATOM 0 H SER A 104 -0.661 -7.597 -10.924 1.00 0.00 H new ATOM 0 HA SER A 104 -3.468 -7.042 -10.412 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.309 -5.962 -12.058 1.00 0.00 H new ATOM 0 HB3 SER A 104 -2.783 -6.169 -12.983 1.00 0.00 H new ATOM 0 HG SER A 104 -2.830 -4.931 -10.405 1.00 0.00 H new ATOM 1619 N ASP A 105 -2.766 -9.600 -11.925 1.00 0.00 N ATOM 1620 CA ASP A 105 -3.218 -10.725 -12.725 1.00 0.00 C ATOM 1621 C ASP A 105 -3.887 -11.756 -11.813 1.00 0.00 C ATOM 1622 O ASP A 105 -4.934 -12.305 -12.154 1.00 0.00 O ATOM 1623 CB ASP A 105 -2.044 -11.407 -13.430 1.00 0.00 C ATOM 1624 CG ASP A 105 -1.790 -10.937 -14.863 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -1.949 -9.720 -15.098 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -1.441 -11.806 -15.692 1.00 0.00 O ATOM 0 H ASP A 105 -2.021 -9.819 -11.264 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.917 -10.349 -13.472 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.141 -11.240 -12.843 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.222 -12.482 -13.442 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.254 -11.990 -10.673 1.00 0.00 N ATOM 1632 CA ARG A 106 -3.774 -12.946 -9.710 1.00 0.00 C ATOM 1633 C ARG A 106 -4.600 -12.227 -8.642 1.00 0.00 C ATOM 1634 O ARG A 106 -5.268 -12.869 -7.833 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.640 -13.719 -9.034 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.288 -14.980 -9.826 1.00 0.00 C ATOM 1637 CD ARG A 106 -2.247 -16.207 -8.913 1.00 0.00 C ATOM 1638 NE ARG A 106 -2.577 -17.424 -9.687 1.00 0.00 N ATOM 1639 CZ ARG A 106 -3.826 -17.814 -9.979 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -4.869 -17.084 -9.562 1.00 0.00 N ATOM 1641 NH2 ARG A 106 -4.030 -18.933 -10.687 1.00 0.00 N ATOM 0 H ARG A 106 -2.385 -11.534 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.407 -13.650 -10.250 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.760 -13.081 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.935 -13.992 -8.021 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.023 -15.135 -10.616 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.321 -14.851 -10.311 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.257 -16.306 -8.468 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.955 -16.084 -8.093 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.806 -18.003 -10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.712 -16.232 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.820 -17.380 -9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.235 -19.488 -11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.980 -19.230 -10.909 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.527 -10.904 -8.673 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.260 -10.091 -7.717 1.00 0.00 C ATOM 1657 C LYS A 107 -4.772 -10.411 -6.303 1.00 0.00 C ATOM 1658 O LYS A 107 -5.564 -10.449 -5.363 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.767 -10.273 -7.904 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.248 -9.588 -9.184 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.694 -9.973 -9.502 1.00 0.00 C ATOM 1662 CE LYS A 107 -8.822 -10.481 -10.940 1.00 0.00 C ATOM 1663 NZ LYS A 107 -10.223 -10.369 -11.406 1.00 0.00 N ATOM 0 H LYS A 107 -3.971 -10.375 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.067 -9.032 -7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.006 -11.336 -7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.296 -9.860 -7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.172 -8.506 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.602 -9.869 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.030 -10.744 -8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.344 -9.110 -9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.167 -9.906 -11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.496 -11.520 -10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.293 -10.718 -12.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.840 -10.937 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.522 -9.373 -11.372 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.470 -10.633 -6.196 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.867 -10.948 -4.912 1.00 0.00 C ATOM 1679 C ARG A 108 -1.609 -10.104 -4.695 1.00 0.00 C ATOM 1680 O ARG A 108 -1.342 -9.175 -5.455 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.500 -12.430 -4.825 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.706 -13.314 -5.149 1.00 0.00 C ATOM 1683 CD ARG A 108 -3.844 -14.447 -4.130 1.00 0.00 C ATOM 1684 NE ARG A 108 -4.393 -15.655 -4.788 1.00 0.00 N ATOM 1685 CZ ARG A 108 -4.602 -16.821 -4.162 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -4.310 -16.945 -2.860 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -5.104 -17.863 -4.838 1.00 0.00 N ATOM 0 H ARG A 108 -2.816 -10.601 -6.978 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.599 -10.721 -4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.688 -12.648 -5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -2.135 -12.660 -3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.614 -12.710 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.597 -13.731 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.872 -14.672 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.499 -14.137 -3.315 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.626 -15.596 -5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.928 -16.151 -2.345 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.469 -17.833 -2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.327 -17.768 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.263 -18.751 -4.362 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.871 -10.458 -3.654 1.00 0.00 N ATOM 1702 CA PHE A 109 0.353 -9.745 -3.327 1.00 0.00 C ATOM 1703 C PHE A 109 1.566 -10.674 -3.402 1.00 0.00 C ATOM 1704 O PHE A 109 1.487 -11.837 -3.009 1.00 0.00 O ATOM 1705 CB PHE A 109 0.204 -9.235 -1.892 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.002 -7.723 -1.787 1.00 0.00 C ATOM 1707 CD1 PHE A 109 -0.611 -7.047 -2.798 1.00 0.00 C ATOM 1708 CD2 PHE A 109 0.425 -7.054 -0.682 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.801 -5.644 -2.701 1.00 0.00 C ATOM 1710 CE2 PHE A 109 0.235 -5.650 -0.585 1.00 0.00 C ATOM 1711 CZ PHE A 109 -0.374 -4.975 -1.596 1.00 0.00 C ATOM 0 H PHE A 109 -1.096 -11.229 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 109 0.509 -8.930 -4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.641 -9.740 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.093 -9.510 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.950 -7.578 -3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.908 -7.590 0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.284 -5.108 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.574 -5.118 0.292 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.519 -3.907 -1.522 1.00 0.00 H new ATOM 1721 N THR A 110 2.660 -10.127 -3.910 1.00 0.00 N ATOM 1722 CA THR A 110 3.888 -10.892 -4.042 1.00 0.00 C ATOM 1723 C THR A 110 5.061 -10.129 -3.424 1.00 0.00 C ATOM 1724 O THR A 110 4.968 -8.925 -3.188 1.00 0.00 O ATOM 1725 CB THR A 110 4.087 -11.215 -5.524 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.100 -12.206 -5.799 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.414 -11.927 -5.795 1.00 0.00 C ATOM 0 H THR A 110 2.722 -9.162 -4.235 1.00 0.00 H new ATOM 0 HA THR A 110 3.828 -11.833 -3.495 1.00 0.00 H new ATOM 0 HB THR A 110 4.044 -10.294 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.478 -12.889 -6.391 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.505 -12.133 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.240 -11.291 -5.476 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.444 -12.865 -5.240 1.00 0.00 H new ATOM 1735 N GLN A 111 6.138 -10.860 -3.179 1.00 0.00 N ATOM 1736 CA GLN A 111 7.328 -10.267 -2.593 1.00 0.00 C ATOM 1737 C GLN A 111 8.381 -10.011 -3.673 1.00 0.00 C ATOM 1738 O GLN A 111 8.327 -10.603 -4.750 1.00 0.00 O ATOM 1739 CB GLN A 111 7.890 -11.152 -1.479 1.00 0.00 C ATOM 1740 CG GLN A 111 8.262 -10.319 -0.251 1.00 0.00 C ATOM 1741 CD GLN A 111 9.758 -10.426 0.052 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.604 -10.319 -0.820 1.00 0.00 O ATOM 1743 NE2 GLN A 111 10.036 -10.644 1.335 1.00 0.00 N ATOM 0 H GLN A 111 6.212 -11.858 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 111 7.052 -9.311 -2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.153 -11.906 -1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 111 8.769 -11.684 -1.842 1.00 0.00 H new ATOM 0 HG2 GLN A 111 7.995 -9.276 -0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 111 7.688 -10.659 0.611 1.00 0.00 H new ATOM 0 HE21 GLN A 111 9.279 -10.723 2.014 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.006 -10.732 1.639 1.00 0.00 H new ATOM 1752 N ILE A 112 9.314 -9.128 -3.348 1.00 0.00 N ATOM 1753 CA ILE A 112 10.377 -8.786 -4.277 1.00 0.00 C ATOM 1754 C ILE A 112 11.647 -9.550 -3.895 1.00 0.00 C ATOM 1755 O ILE A 112 11.944 -9.716 -2.713 1.00 0.00 O ATOM 1756 CB ILE A 112 10.567 -7.270 -4.340 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.244 -6.541 -4.094 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.215 -6.852 -5.661 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.326 -6.646 -5.314 1.00 0.00 C ATOM 0 H ILE A 112 9.356 -8.639 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 112 10.112 -9.092 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 112 11.249 -6.978 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.747 -6.966 -3.222 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.439 -5.492 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.338 -5.769 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.190 -7.330 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.579 -7.159 -6.491 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.393 -6.120 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.817 -6.198 -6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.114 -7.695 -5.521 1.00 0.00 H new ATOM 1771 N PRO A 113 12.381 -10.006 -4.945 1.00 0.00 N ATOM 1772 CA PRO A 113 13.612 -10.748 -4.732 1.00 0.00 C ATOM 1773 C PRO A 113 14.746 -9.816 -4.300 1.00 0.00 C ATOM 1774 O PRO A 113 15.844 -10.273 -3.987 1.00 0.00 O ATOM 1775 CB PRO A 113 13.887 -11.443 -6.055 1.00 0.00 C ATOM 1776 CG PRO A 113 13.062 -10.701 -7.095 1.00 0.00 C ATOM 1777 CD PRO A 113 12.060 -9.828 -6.358 1.00 0.00 C ATOM 0 HA PRO A 113 13.530 -11.476 -3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 113 14.948 -11.408 -6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.604 -12.495 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.706 -10.091 -7.729 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.547 -11.406 -7.748 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.151 -8.783 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.036 -10.133 -6.573 1.00 0.00 H new ATOM 1785 N ALA A 114 14.440 -8.527 -4.296 1.00 0.00 N ATOM 1786 CA ALA A 114 15.420 -7.527 -3.907 1.00 0.00 C ATOM 1787 C ALA A 114 14.894 -6.745 -2.702 1.00 0.00 C ATOM 1788 O ALA A 114 13.700 -6.780 -2.408 1.00 0.00 O ATOM 1789 CB ALA A 114 15.726 -6.621 -5.101 1.00 0.00 C ATOM 0 H ALA A 114 13.528 -8.152 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 114 16.355 -8.002 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.461 -5.871 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 114 16.124 -7.220 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.811 -6.125 -5.426 1.00 0.00 H new ATOM 1795 N LYS A 115 15.810 -6.058 -2.036 1.00 0.00 N ATOM 1796 CA LYS A 115 15.454 -5.269 -0.869 1.00 0.00 C ATOM 1797 C LYS A 115 15.496 -3.783 -1.232 1.00 0.00 C ATOM 1798 O LYS A 115 15.266 -2.926 -0.380 1.00 0.00 O ATOM 1799 CB LYS A 115 16.343 -5.637 0.319 1.00 0.00 C ATOM 1800 CG LYS A 115 15.599 -6.545 1.301 1.00 0.00 C ATOM 1801 CD LYS A 115 16.417 -7.798 1.619 1.00 0.00 C ATOM 1802 CE LYS A 115 15.991 -8.407 2.956 1.00 0.00 C ATOM 1803 NZ LYS A 115 17.115 -8.384 3.918 1.00 0.00 N ATOM 0 H LYS A 115 16.799 -6.031 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 115 14.435 -5.493 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.242 -6.140 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 115 16.666 -4.730 0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.392 -5.999 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.637 -6.833 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.288 -8.532 0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.477 -7.546 1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.146 -7.852 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.655 -9.433 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.808 -8.801 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.911 -8.933 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.417 -7.401 4.076 1.00 0.00 H new ATOM 1817 N THR A 116 15.792 -3.523 -2.497 1.00 0.00 N ATOM 1818 CA THR A 116 15.867 -2.156 -2.982 1.00 0.00 C ATOM 1819 C THR A 116 14.542 -1.745 -3.629 1.00 0.00 C ATOM 1820 O THR A 116 13.696 -2.592 -3.909 1.00 0.00 O ATOM 1821 CB THR A 116 17.063 -2.056 -3.931 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.191 -2.295 -3.094 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.280 -0.634 -4.453 1.00 0.00 C ATOM 0 H THR A 116 15.983 -4.236 -3.201 1.00 0.00 H new ATOM 0 HA THR A 116 16.024 -1.454 -2.163 1.00 0.00 H new ATOM 0 HB THR A 116 16.916 -2.732 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 116 19.011 -2.250 -3.629 1.00 0.00 H new ATOM 0 HG21 THR A 116 18.141 -0.619 -5.122 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.393 -0.306 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.461 0.038 -3.614 1.00 0.00 H new ATOM 1831 N MET A 117 14.405 -0.446 -3.847 1.00 0.00 N ATOM 1832 CA MET A 117 13.198 0.087 -4.455 1.00 0.00 C ATOM 1833 C MET A 117 13.153 -0.228 -5.951 1.00 0.00 C ATOM 1834 O MET A 117 14.189 -0.459 -6.572 1.00 0.00 O ATOM 1835 CB MET A 117 13.149 1.603 -4.251 1.00 0.00 C ATOM 1836 CG MET A 117 12.441 1.957 -2.941 1.00 0.00 C ATOM 1837 SD MET A 117 10.733 1.444 -3.012 1.00 0.00 S ATOM 1838 CE MET A 117 10.576 0.665 -1.414 1.00 0.00 C ATOM 0 H MET A 117 15.110 0.253 -3.614 1.00 0.00 H new ATOM 0 HA MET A 117 12.337 -0.381 -3.978 1.00 0.00 H new ATOM 0 HB2 MET A 117 14.162 2.005 -4.241 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.629 2.070 -5.087 1.00 0.00 H new ATOM 0 HG2 MET A 117 12.941 1.469 -2.104 1.00 0.00 H new ATOM 0 HG3 MET A 117 12.500 3.031 -2.765 1.00 0.00 H new ATOM 0 HE1 MET A 117 9.679 0.047 -1.397 1.00 0.00 H new ATOM 0 HE2 MET A 117 11.450 0.041 -1.226 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.503 1.431 -0.642 1.00 0.00 H new ATOM 1848 N SER A 118 11.941 -0.227 -6.488 1.00 0.00 N ATOM 1849 CA SER A 118 11.747 -0.510 -7.900 1.00 0.00 C ATOM 1850 C SER A 118 10.270 -0.355 -8.266 1.00 0.00 C ATOM 1851 O SER A 118 9.396 -0.499 -7.413 1.00 0.00 O ATOM 1852 CB SER A 118 12.237 -1.916 -8.252 1.00 0.00 C ATOM 1853 OG SER A 118 11.224 -2.899 -8.055 1.00 0.00 O ATOM 0 H SER A 118 11.084 -0.035 -5.970 1.00 0.00 H new ATOM 0 HA SER A 118 12.334 0.205 -8.476 1.00 0.00 H new ATOM 0 HB2 SER A 118 12.565 -1.936 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 118 13.105 -2.162 -7.640 1.00 0.00 H new ATOM 0 HG SER A 118 11.575 -3.783 -8.292 1.00 0.00 H new ATOM 1859 N MET A 119 10.036 -0.064 -9.538 1.00 0.00 N ATOM 1860 CA MET A 119 8.680 0.112 -10.028 1.00 0.00 C ATOM 1861 C MET A 119 7.856 -1.162 -9.833 1.00 0.00 C ATOM 1862 O MET A 119 6.633 -1.140 -9.955 1.00 0.00 O ATOM 1863 CB MET A 119 8.717 0.473 -11.514 1.00 0.00 C ATOM 1864 CG MET A 119 9.341 1.854 -11.728 1.00 0.00 C ATOM 1865 SD MET A 119 8.059 3.079 -11.930 1.00 0.00 S ATOM 1866 CE MET A 119 7.580 3.310 -10.226 1.00 0.00 C ATOM 0 H MET A 119 10.763 0.054 -10.243 1.00 0.00 H new ATOM 0 HA MET A 119 8.211 0.916 -9.461 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.289 -0.277 -12.060 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.706 0.460 -11.920 1.00 0.00 H new ATOM 0 HG2 MET A 119 9.972 2.113 -10.878 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.983 1.839 -12.609 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.159 4.307 -10.098 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.834 2.563 -9.953 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.454 3.201 -9.584 1.00 0.00 H new ATOM 1876 N SER A 120 8.561 -2.244 -9.532 1.00 0.00 N ATOM 1877 CA SER A 120 7.910 -3.525 -9.318 1.00 0.00 C ATOM 1878 C SER A 120 7.582 -3.704 -7.835 1.00 0.00 C ATOM 1879 O SER A 120 7.631 -4.818 -7.315 1.00 0.00 O ATOM 1880 CB SER A 120 8.788 -4.677 -9.811 1.00 0.00 C ATOM 1881 OG SER A 120 8.473 -5.055 -11.148 1.00 0.00 O ATOM 0 H SER A 120 9.576 -2.259 -9.431 1.00 0.00 H new ATOM 0 HA SER A 120 6.983 -3.539 -9.892 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.836 -4.383 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.662 -5.536 -9.152 1.00 0.00 H new ATOM 0 HG SER A 120 9.056 -5.792 -11.426 1.00 0.00 H new ATOM 1887 N VAL A 121 7.254 -2.591 -7.195 1.00 0.00 N ATOM 1888 CA VAL A 121 6.918 -2.611 -5.782 1.00 0.00 C ATOM 1889 C VAL A 121 5.565 -1.927 -5.574 1.00 0.00 C ATOM 1890 O VAL A 121 5.264 -0.929 -6.226 1.00 0.00 O ATOM 1891 CB VAL A 121 8.043 -1.971 -4.967 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.629 -1.793 -3.505 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.333 -2.788 -5.076 1.00 0.00 C ATOM 0 H VAL A 121 7.214 -1.669 -7.630 1.00 0.00 H new ATOM 0 HA VAL A 121 6.821 -3.637 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 121 8.236 -0.982 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.447 -1.336 -2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.750 -1.150 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.394 -2.766 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.117 -2.311 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.158 -3.796 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.644 -2.840 -6.119 1.00 0.00 H new ATOM 1903 N ASP A 122 4.786 -2.492 -4.663 1.00 0.00 N ATOM 1904 CA ASP A 122 3.473 -1.948 -4.361 1.00 0.00 C ATOM 1905 C ASP A 122 3.224 -2.036 -2.854 1.00 0.00 C ATOM 1906 O ASP A 122 2.081 -1.964 -2.405 1.00 0.00 O ATOM 1907 CB ASP A 122 2.373 -2.742 -5.069 1.00 0.00 C ATOM 1908 CG ASP A 122 2.195 -2.417 -6.554 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.186 -2.591 -7.295 1.00 0.00 O ATOM 1910 OD2 ASP A 122 1.072 -2.003 -6.913 1.00 0.00 O ATOM 0 H ASP A 122 5.039 -3.321 -4.125 1.00 0.00 H new ATOM 0 HA ASP A 122 3.449 -0.913 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.591 -3.805 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.428 -2.561 -4.557 1.00 0.00 H new ATOM 1915 N ALA A 123 4.312 -2.189 -2.114 1.00 0.00 N ATOM 1916 CA ALA A 123 4.226 -2.287 -0.667 1.00 0.00 C ATOM 1917 C ALA A 123 5.634 -2.423 -0.085 1.00 0.00 C ATOM 1918 O ALA A 123 6.528 -2.967 -0.732 1.00 0.00 O ATOM 1919 CB ALA A 123 3.322 -3.462 -0.288 1.00 0.00 C ATOM 0 H ALA A 123 5.258 -2.248 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 123 3.782 -1.385 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.257 -3.536 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.326 -3.303 -0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.738 -4.386 -0.690 1.00 0.00 H new ATOM 1925 N PHE A 124 5.788 -1.919 1.131 1.00 0.00 N ATOM 1926 CA PHE A 124 7.073 -1.977 1.808 1.00 0.00 C ATOM 1927 C PHE A 124 6.909 -1.763 3.314 1.00 0.00 C ATOM 1928 O PHE A 124 5.984 -1.080 3.750 1.00 0.00 O ATOM 1929 CB PHE A 124 7.932 -0.849 1.235 1.00 0.00 C ATOM 1930 CG PHE A 124 7.508 0.549 1.690 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.276 1.026 1.364 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.362 1.315 2.420 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.882 2.323 1.787 1.00 0.00 C ATOM 1934 CE2 PHE A 124 7.968 2.612 2.843 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.737 3.089 2.517 1.00 0.00 C ATOM 0 H PHE A 124 5.045 -1.469 1.665 1.00 0.00 H new ATOM 0 HA PHE A 124 7.531 -2.954 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.970 -1.014 1.523 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.893 -0.893 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.598 0.418 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.340 0.937 2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.904 2.701 1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.646 3.220 3.424 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.438 4.076 2.838 1.00 0.00 H new ATOM 1945 N THR A 125 7.822 -2.359 4.067 1.00 0.00 N ATOM 1946 CA THR A 125 7.790 -2.242 5.515 1.00 0.00 C ATOM 1947 C THR A 125 9.163 -1.828 6.046 1.00 0.00 C ATOM 1948 O THR A 125 10.156 -2.516 5.814 1.00 0.00 O ATOM 1949 CB THR A 125 7.293 -3.572 6.086 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.354 -4.484 5.816 1.00 0.00 O ATOM 1951 CG2 THR A 125 6.106 -4.138 5.303 1.00 0.00 C ATOM 0 H THR A 125 8.588 -2.924 3.702 1.00 0.00 H new ATOM 0 HA THR A 125 7.103 -1.458 5.834 1.00 0.00 H new ATOM 0 HB THR A 125 7.008 -3.435 7.129 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.160 -3.984 5.568 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.792 -5.082 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.278 -3.429 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.401 -4.307 4.267 1.00 0.00 H new ATOM 1959 N ILE A 126 9.176 -0.706 6.750 1.00 0.00 N ATOM 1960 CA ILE A 126 10.411 -0.192 7.317 1.00 0.00 C ATOM 1961 C ILE A 126 10.831 -1.071 8.496 1.00 0.00 C ATOM 1962 O ILE A 126 10.001 -1.758 9.089 1.00 0.00 O ATOM 1963 CB ILE A 126 10.261 1.288 7.675 1.00 0.00 C ATOM 1964 CG1 ILE A 126 9.084 1.505 8.628 1.00 0.00 C ATOM 1965 CG2 ILE A 126 10.145 2.148 6.415 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.179 2.868 9.316 1.00 0.00 C ATOM 0 H ILE A 126 8.350 -0.138 6.941 1.00 0.00 H new ATOM 0 HA ILE A 126 11.215 -0.238 6.583 1.00 0.00 H new ATOM 0 HB ILE A 126 11.162 1.606 8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.147 1.437 8.075 1.00 0.00 H new ATOM 0 HG13 ILE A 126 9.069 0.715 9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.039 3.195 6.698 1.00 0.00 H new ATOM 0 HG22 ILE A 126 11.041 2.025 5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 126 9.272 1.837 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.330 2.996 9.988 1.00 0.00 H new ATOM 0 HD12 ILE A 126 10.106 2.923 9.887 1.00 0.00 H new ATOM 0 HD13 ILE A 126 9.169 3.657 8.564 1.00 0.00 H new ATOM 1978 N GLN A 127 12.119 -1.021 8.802 1.00 0.00 N ATOM 1979 CA GLN A 127 12.659 -1.804 9.900 1.00 0.00 C ATOM 1980 C GLN A 127 11.703 -1.772 11.095 1.00 0.00 C ATOM 1981 O GLN A 127 10.849 -0.892 11.187 1.00 0.00 O ATOM 1982 CB GLN A 127 14.050 -1.306 10.298 1.00 0.00 C ATOM 1983 CG GLN A 127 15.138 -2.255 9.792 1.00 0.00 C ATOM 1984 CD GLN A 127 15.930 -2.852 10.957 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.410 -3.581 11.786 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.213 -2.503 10.974 1.00 0.00 N ATOM 0 H GLN A 127 12.805 -0.450 8.308 1.00 0.00 H new ATOM 0 HA GLN A 127 12.761 -2.837 9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 127 14.214 -0.309 9.890 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.113 -1.220 11.383 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.684 -3.056 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.813 -1.718 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.584 -1.889 10.249 1.00 0.00 H new ATOM 0 HE22 GLN A 127 17.826 -2.849 11.712 1.00 0.00 H new ATOM 1995 N GLY A 128 11.880 -2.743 11.979 1.00 0.00 N ATOM 1996 CA GLY A 128 11.044 -2.837 13.164 1.00 0.00 C ATOM 1997 C GLY A 128 11.505 -1.852 14.240 1.00 0.00 C ATOM 1998 O GLY A 128 10.682 -1.227 14.908 1.00 0.00 O ATOM 0 H GLY A 128 12.590 -3.471 11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.007 -2.632 12.899 1.00 0.00 H new ATOM 0 HA3 GLY A 128 11.078 -3.853 13.557 1.00 0.00 H new ATOM 2002 N HIS A 129 12.818 -1.744 14.375 1.00 0.00 N ATOM 2003 CA HIS A 129 13.398 -0.845 15.358 1.00 0.00 C ATOM 2004 C HIS A 129 12.820 0.559 15.175 1.00 0.00 C ATOM 2005 O HIS A 129 12.598 1.275 16.150 1.00 0.00 O ATOM 2006 CB HIS A 129 14.926 -0.871 15.283 1.00 0.00 C ATOM 2007 CG HIS A 129 15.504 0.013 14.204 1.00 0.00 C ATOM 2008 ND1 HIS A 129 16.373 -0.457 13.235 1.00 0.00 N ATOM 2009 CD2 HIS A 129 15.326 1.341 13.950 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.699 0.551 12.440 1.00 0.00 C ATOM 2011 NE2 HIS A 129 16.049 1.665 12.885 1.00 0.00 N ATOM 0 H HIS A 129 13.497 -2.264 13.820 1.00 0.00 H new ATOM 0 HA HIS A 129 13.135 -1.180 16.361 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.332 -0.563 16.247 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.254 -1.896 15.112 1.00 0.00 H new ATOM 0 HD2 HIS A 129 14.703 2.015 14.519 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.362 0.500 11.589 1.00 0.00 H new ATOM 0 HE2 HIS A 129 16.109 2.594 12.468 1.00 0.00 H new ATOM 2019 N LEU A 130 12.591 0.911 13.918 1.00 0.00 N ATOM 2020 CA LEU A 130 12.043 2.217 13.594 1.00 0.00 C ATOM 2021 C LEU A 130 10.717 2.406 14.334 1.00 0.00 C ATOM 2022 O LEU A 130 10.499 3.435 14.971 1.00 0.00 O ATOM 2023 CB LEU A 130 11.931 2.390 12.078 1.00 0.00 C ATOM 2024 CG LEU A 130 13.253 2.471 11.313 1.00 0.00 C ATOM 2025 CD1 LEU A 130 13.041 2.199 9.822 1.00 0.00 C ATOM 2026 CD2 LEU A 130 13.947 3.812 11.558 1.00 0.00 C ATOM 0 H LEU A 130 12.775 0.314 13.112 1.00 0.00 H new ATOM 0 HA LEU A 130 12.714 3.007 13.933 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.354 1.556 11.679 1.00 0.00 H new ATOM 0 HB3 LEU A 130 11.361 3.297 11.877 1.00 0.00 H new ATOM 0 HG LEU A 130 13.915 1.692 11.692 1.00 0.00 H new ATOM 0 HD11 LEU A 130 13.996 2.263 9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.622 1.202 9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.354 2.939 9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.884 3.843 11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 130 13.300 4.623 11.224 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.152 3.927 12.622 1.00 0.00 H new ATOM 2038 N TRP A 131 9.866 1.396 14.226 1.00 0.00 N ATOM 2039 CA TRP A 131 8.568 1.438 14.878 1.00 0.00 C ATOM 2040 C TRP A 131 8.797 1.430 16.390 1.00 0.00 C ATOM 2041 O TRP A 131 8.451 2.388 17.079 1.00 0.00 O ATOM 2042 CB TRP A 131 7.679 0.288 14.402 1.00 0.00 C ATOM 2043 CG TRP A 131 7.317 0.353 12.916 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.734 -0.452 11.930 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.443 1.313 12.286 1.00 0.00 C ATOM 2046 NE1 TRP A 131 7.195 -0.083 10.714 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.385 1.024 10.938 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.725 2.389 12.836 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.621 1.765 10.027 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.967 3.120 11.914 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.898 2.842 10.553 1.00 0.00 C ATOM 0 H TRP A 131 10.050 0.544 13.697 1.00 0.00 H new ATOM 0 HA TRP A 131 8.033 2.350 14.613 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.187 -0.656 14.601 1.00 0.00 H new ATOM 0 HB3 TRP A 131 6.761 0.286 14.989 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.407 -1.285 12.069 1.00 0.00 H new ATOM 0 HE1 TRP A 131 7.361 -0.539 9.817 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.756 2.633 13.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 5.591 1.519 8.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.396 3.958 12.285 1.00 0.00 H new ATOM 0 HH2 TRP A 131 4.289 3.455 9.905 1.00 0.00 H new