USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 633 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 99 LYS NZ :NH3+ 135:sc= 0.774 (180deg=-1.25!) USER MOD Set 1.2: A 100 ASN : amide:sc= 0.905 K(o=1.7,f=-5.5) USER MOD Set 2.1: A 96 MET CE :methyl -145:sc= -1.96 (180deg=-2.11) USER MOD Set 2.2: A 98 THR OG1 : rot -101:sc= 1.19 USER MOD Set 2.3: A 103 SER OG : rot 180:sc= 1.08 USER MOD Set 3.1: A 94 SER OG : rot 75:sc= -0.872 USER MOD Set 3.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 63 SER OG : rot 180:sc= -0.785 USER MOD Set 4.2: A 111 HIS : no HE2:sc= 0.112 K(o=-0.67,f=-1.7) USER MOD Set 5.1: A 31 THR OG1 : rot -90:sc= 0.815 USER MOD Set 5.2: A 32 HIS : no HD1:sc= -1.46 K(o=-0.64,f=-4.7!) USER MOD Single : A 19 MET CE :methyl 180:sc= -2.8! (180deg=-2.8!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 110:sc= 0.707 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0123 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 1.5e-05 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 34:sc= 0.323 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.431 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0424) USER MOD Single : A 88 ASN :FLIP amide:sc= -4.26! C(o=-5.8!,f=-4.3!) USER MOD Single : A 89 THR OG1 : rot 66:sc= 0.275 USER MOD Single : A 90 MET CE :methyl 165:sc= -0.0145 (180deg=-0.282) USER MOD Single : A 91 TYR OH : rot 85:sc= 0.658 USER MOD Single : A 104 SER OG : rot 180:sc= -0.565! USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 107 SER OG : rot 141:sc= 0.319 USER MOD Single : A 108 MET CE :methyl -113:sc= -0.251 (180deg=-1.17) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 114 THR OG1 : rot -172:sc= 1.38 USER MOD Single : A 115 TYR OH : rot -9:sc= 0.00771 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.373 18.174 3.535 1.00 0.00 N ATOM 226 CA MET A 19 3.474 17.456 2.638 1.00 0.00 C ATOM 227 C MET A 19 2.576 16.501 3.419 1.00 0.00 C ATOM 228 O MET A 19 2.931 16.050 4.509 1.00 0.00 O ATOM 229 CB MET A 19 4.276 16.679 1.592 1.00 0.00 C ATOM 230 CG MET A 19 4.745 17.535 0.427 1.00 0.00 C ATOM 231 SD MET A 19 3.396 18.012 -0.671 1.00 0.00 S ATOM 232 CE MET A 19 3.206 16.518 -1.641 1.00 0.00 C ATOM 0 HA MET A 19 2.844 18.188 2.132 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.144 16.228 2.073 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.663 15.863 1.209 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.229 18.432 0.812 1.00 0.00 H new ATOM 0 HG3 MET A 19 5.496 16.987 -0.143 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.406 16.656 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.138 16.302 -2.163 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.958 15.686 -0.982 1.00 0.00 H new ATOM 242 N LEU A 20 1.412 16.198 2.855 1.00 0.00 N ATOM 243 CA LEU A 20 0.462 15.296 3.499 1.00 0.00 C ATOM 244 C LEU A 20 0.209 14.065 2.635 1.00 0.00 C ATOM 245 O LEU A 20 -0.187 14.162 1.473 1.00 0.00 O ATOM 246 CB LEU A 20 -0.856 16.023 3.771 1.00 0.00 C ATOM 247 CG LEU A 20 -1.622 15.579 5.017 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.153 14.164 4.843 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.733 15.668 6.249 1.00 0.00 C ATOM 0 H LEU A 20 1.103 16.563 1.954 1.00 0.00 H new ATOM 0 HA LEU A 20 0.892 14.970 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.648 17.090 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.505 15.894 2.905 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.471 16.249 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.695 13.866 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.825 14.130 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.320 13.480 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.295 15.348 7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.135 15.022 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.402 16.698 6.385 1.00 0.00 H new ATOM 261 N PRO A 21 0.440 12.877 3.214 1.00 0.00 N ATOM 262 CA PRO A 21 0.241 11.604 2.516 1.00 0.00 C ATOM 263 C PRO A 21 -1.233 11.305 2.265 1.00 0.00 C ATOM 264 O PRO A 21 -2.125 11.937 2.831 1.00 0.00 O ATOM 265 CB PRO A 21 0.839 10.575 3.479 1.00 0.00 C ATOM 266 CG PRO A 21 0.740 11.210 4.822 1.00 0.00 C ATOM 267 CD PRO A 21 0.913 12.687 4.596 1.00 0.00 C ATOM 0 HA PRO A 21 0.703 11.603 1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.289 9.634 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.874 10.349 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.224 10.996 5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.508 10.825 5.493 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.329 13.273 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.953 12.992 4.711 1.00 0.00 H new ATOM 275 N PRO A 22 -1.498 10.318 1.396 1.00 0.00 N ATOM 276 CA PRO A 22 -2.864 9.912 1.051 1.00 0.00 C ATOM 277 C PRO A 22 -3.572 9.216 2.209 1.00 0.00 C ATOM 278 O PRO A 22 -3.038 9.130 3.315 1.00 0.00 O ATOM 279 CB PRO A 22 -2.662 8.941 -0.114 1.00 0.00 C ATOM 280 CG PRO A 22 -1.285 8.404 0.075 1.00 0.00 C ATOM 281 CD PRO A 22 -0.485 9.522 0.684 1.00 0.00 C ATOM 0 HA PRO A 22 -3.494 10.767 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.404 8.143 -0.097 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.761 9.448 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.293 7.530 0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.855 8.089 -0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.280 9.145 1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.027 10.111 -0.077 1.00 0.00 H new ATOM 289 N VAL A 23 -4.776 8.719 1.947 1.00 0.00 N ATOM 290 CA VAL A 23 -5.557 8.028 2.967 1.00 0.00 C ATOM 291 C VAL A 23 -6.349 6.874 2.364 1.00 0.00 C ATOM 292 O VAL A 23 -6.230 6.579 1.176 1.00 0.00 O ATOM 293 CB VAL A 23 -6.529 8.990 3.676 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.768 10.135 4.326 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.566 9.516 2.696 1.00 0.00 C ATOM 0 H VAL A 23 -5.232 8.782 1.037 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.849 7.636 3.697 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.050 8.441 4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.471 10.804 4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.068 9.736 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.219 10.687 3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.245 10.194 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.065 10.050 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.132 8.681 2.283 1.00 0.00 H new ATOM 305 N GLY A 24 -7.160 6.224 3.193 1.00 0.00 N ATOM 306 CA GLY A 24 -7.962 5.108 2.724 1.00 0.00 C ATOM 307 C GLY A 24 -7.187 4.182 1.808 1.00 0.00 C ATOM 308 O GLY A 24 -7.681 3.783 0.754 1.00 0.00 O ATOM 0 H GLY A 24 -7.276 6.450 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.329 4.543 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.836 5.489 2.196 1.00 0.00 H new ATOM 312 N VAL A 25 -5.967 3.839 2.210 1.00 0.00 N ATOM 313 CA VAL A 25 -5.121 2.954 1.418 1.00 0.00 C ATOM 314 C VAL A 25 -5.579 1.505 1.538 1.00 0.00 C ATOM 315 O VAL A 25 -5.319 0.843 2.542 1.00 0.00 O ATOM 316 CB VAL A 25 -3.646 3.053 1.850 1.00 0.00 C ATOM 317 CG1 VAL A 25 -2.748 2.343 0.849 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.234 4.508 2.010 1.00 0.00 C ATOM 0 H VAL A 25 -5.542 4.161 3.080 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.210 3.275 0.380 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.535 2.560 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.710 2.423 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.029 1.292 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.861 2.804 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.189 4.559 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.360 5.028 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.857 4.981 2.769 1.00 0.00 H new ATOM 328 N GLN A 26 -6.261 1.019 0.506 1.00 0.00 N ATOM 329 CA GLN A 26 -6.755 -0.353 0.495 1.00 0.00 C ATOM 330 C GLN A 26 -6.088 -1.164 -0.612 1.00 0.00 C ATOM 331 O GLN A 26 -5.736 -0.626 -1.661 1.00 0.00 O ATOM 332 CB GLN A 26 -8.273 -0.370 0.312 1.00 0.00 C ATOM 333 CG GLN A 26 -8.866 -1.769 0.273 1.00 0.00 C ATOM 334 CD GLN A 26 -10.326 -1.795 0.680 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.069 -0.845 0.433 1.00 0.00 O ATOM 336 NE2 GLN A 26 -10.747 -2.887 1.307 1.00 0.00 N ATOM 0 H GLN A 26 -6.484 1.555 -0.333 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.507 -0.809 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.735 0.189 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.525 0.148 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.766 -2.174 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.296 -2.420 0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.097 -3.651 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.720 -2.962 1.604 1.00 0.00 H new ATOM 345 N ALA A 27 -5.918 -2.459 -0.370 1.00 0.00 N ATOM 346 CA ALA A 27 -5.296 -3.344 -1.346 1.00 0.00 C ATOM 347 C ALA A 27 -6.257 -4.445 -1.781 1.00 0.00 C ATOM 348 O ALA A 27 -6.443 -5.435 -1.073 1.00 0.00 O ATOM 349 CB ALA A 27 -4.021 -3.947 -0.775 1.00 0.00 C ATOM 0 H ALA A 27 -6.203 -2.919 0.495 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.042 -2.753 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.567 -4.606 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.323 -3.149 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.259 -4.518 0.122 1.00 0.00 H new ATOM 355 N VAL A 28 -6.866 -4.267 -2.949 1.00 0.00 N ATOM 356 CA VAL A 28 -7.808 -5.246 -3.477 1.00 0.00 C ATOM 357 C VAL A 28 -7.106 -6.249 -4.386 1.00 0.00 C ATOM 358 O VAL A 28 -6.299 -5.873 -5.236 1.00 0.00 O ATOM 359 CB VAL A 28 -8.943 -4.564 -4.264 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.009 -5.579 -4.649 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.546 -3.428 -3.452 1.00 0.00 C ATOM 0 H VAL A 28 -6.724 -3.453 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.233 -5.771 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.526 -4.144 -5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.803 -5.080 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.564 -6.356 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.425 -6.030 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.346 -2.957 -4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.949 -3.822 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.775 -2.690 -3.231 1.00 0.00 H new ATOM 371 N ALA A 29 -7.419 -7.527 -4.201 1.00 0.00 N ATOM 372 CA ALA A 29 -6.820 -8.585 -5.005 1.00 0.00 C ATOM 373 C ALA A 29 -7.710 -8.943 -6.191 1.00 0.00 C ATOM 374 O ALA A 29 -8.814 -9.460 -6.017 1.00 0.00 O ATOM 375 CB ALA A 29 -6.557 -9.814 -4.149 1.00 0.00 C ATOM 0 H ALA A 29 -8.084 -7.855 -3.501 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.870 -8.218 -5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.110 -10.596 -4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.876 -9.554 -3.339 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.497 -10.174 -3.731 1.00 0.00 H new ATOM 381 N LEU A 30 -7.223 -8.665 -7.395 1.00 0.00 N ATOM 382 CA LEU A 30 -7.975 -8.958 -8.610 1.00 0.00 C ATOM 383 C LEU A 30 -7.751 -10.400 -9.055 1.00 0.00 C ATOM 384 O LEU A 30 -8.704 -11.148 -9.278 1.00 0.00 O ATOM 385 CB LEU A 30 -7.569 -7.998 -9.729 1.00 0.00 C ATOM 386 CG LEU A 30 -7.569 -6.512 -9.371 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.729 -5.724 -10.365 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.991 -5.974 -9.328 1.00 0.00 C ATOM 0 H LEU A 30 -6.311 -8.237 -7.556 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.035 -8.825 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.569 -8.269 -10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.244 -8.148 -10.572 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.128 -6.396 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.740 -4.668 -10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.703 -6.092 -10.347 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.141 -5.846 -11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.972 -4.915 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.458 -6.103 -10.304 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.564 -6.519 -8.577 1.00 0.00 H new ATOM 400 N THR A 31 -6.485 -10.785 -9.180 1.00 0.00 N ATOM 401 CA THR A 31 -6.135 -12.138 -9.597 1.00 0.00 C ATOM 402 C THR A 31 -4.815 -12.580 -8.976 1.00 0.00 C ATOM 403 O THR A 31 -4.117 -11.786 -8.346 1.00 0.00 O ATOM 404 CB THR A 31 -6.029 -12.243 -11.130 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.336 -13.576 -11.552 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.633 -11.865 -11.603 1.00 0.00 C ATOM 0 H THR A 31 -5.685 -10.179 -8.999 1.00 0.00 H new ATOM 0 HA THR A 31 -6.934 -12.793 -9.250 1.00 0.00 H new ATOM 0 HB THR A 31 -6.745 -11.549 -11.570 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.515 -14.110 -11.571 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.582 -11.947 -12.689 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.413 -10.840 -11.306 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.902 -12.538 -11.154 1.00 0.00 H new ATOM 414 N HIS A 32 -4.479 -13.853 -9.157 1.00 0.00 N ATOM 415 CA HIS A 32 -3.240 -14.401 -8.615 1.00 0.00 C ATOM 416 C HIS A 32 -2.090 -13.414 -8.783 1.00 0.00 C ATOM 417 O HIS A 32 -1.352 -13.138 -7.836 1.00 0.00 O ATOM 418 CB HIS A 32 -2.898 -15.723 -9.303 1.00 0.00 C ATOM 419 CG HIS A 32 -2.792 -15.612 -10.793 1.00 0.00 C ATOM 420 ND1 HIS A 32 -3.877 -15.373 -11.609 1.00 0.00 N ATOM 421 CD2 HIS A 32 -1.720 -15.708 -11.614 1.00 0.00 C ATOM 422 CE1 HIS A 32 -3.478 -15.327 -12.868 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.172 -15.528 -12.898 1.00 0.00 N ATOM 0 H HIS A 32 -5.047 -14.524 -9.674 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.387 -14.582 -7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.954 -16.096 -8.906 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.661 -16.460 -9.055 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.699 -15.892 -11.315 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.111 -15.155 -13.726 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -1.594 -15.546 -13.738 1.00 0.00 H new ATOM 432 N ASP A 33 -1.942 -12.885 -9.992 1.00 0.00 N ATOM 433 CA ASP A 33 -0.881 -11.928 -10.284 1.00 0.00 C ATOM 434 C ASP A 33 -1.461 -10.552 -10.594 1.00 0.00 C ATOM 435 O ASP A 33 -1.028 -9.881 -11.531 1.00 0.00 O ATOM 436 CB ASP A 33 -0.035 -12.415 -11.462 1.00 0.00 C ATOM 437 CG ASP A 33 -0.834 -12.514 -12.747 1.00 0.00 C ATOM 438 OD1 ASP A 33 -2.028 -12.874 -12.677 1.00 0.00 O ATOM 439 OD2 ASP A 33 -0.265 -12.232 -13.823 1.00 0.00 O ATOM 0 H ASP A 33 -2.544 -13.103 -10.786 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.247 -11.845 -9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.803 -11.734 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.387 -13.391 -11.224 1.00 0.00 H new ATOM 444 N ALA A 34 -2.444 -10.137 -9.801 1.00 0.00 N ATOM 445 CA ALA A 34 -3.083 -8.841 -9.990 1.00 0.00 C ATOM 446 C ALA A 34 -3.699 -8.338 -8.689 1.00 0.00 C ATOM 447 O ALA A 34 -4.492 -9.035 -8.055 1.00 0.00 O ATOM 448 CB ALA A 34 -4.142 -8.928 -11.079 1.00 0.00 C ATOM 0 H ALA A 34 -2.815 -10.680 -9.021 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.318 -8.128 -10.299 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.611 -7.953 -11.209 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.676 -9.235 -12.016 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.898 -9.659 -10.793 1.00 0.00 H new ATOM 454 N VAL A 35 -3.329 -7.124 -8.294 1.00 0.00 N ATOM 455 CA VAL A 35 -3.846 -6.527 -7.068 1.00 0.00 C ATOM 456 C VAL A 35 -4.181 -5.054 -7.273 1.00 0.00 C ATOM 457 O VAL A 35 -3.290 -4.225 -7.461 1.00 0.00 O ATOM 458 CB VAL A 35 -2.837 -6.657 -5.912 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.119 -5.619 -4.837 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.872 -8.062 -5.330 1.00 0.00 C ATOM 0 H VAL A 35 -2.673 -6.534 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.755 -7.071 -6.810 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.836 -6.476 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.396 -5.727 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.038 -4.620 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.126 -5.765 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.153 -8.136 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.872 -8.275 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.616 -8.784 -6.106 1.00 0.00 H new ATOM 470 N ARG A 36 -5.470 -4.735 -7.234 1.00 0.00 N ATOM 471 CA ARG A 36 -5.924 -3.362 -7.415 1.00 0.00 C ATOM 472 C ARG A 36 -5.810 -2.575 -6.113 1.00 0.00 C ATOM 473 O ARG A 36 -6.528 -2.843 -5.149 1.00 0.00 O ATOM 474 CB ARG A 36 -7.370 -3.341 -7.912 1.00 0.00 C ATOM 475 CG ARG A 36 -8.010 -1.962 -7.868 1.00 0.00 C ATOM 476 CD ARG A 36 -7.524 -1.087 -9.013 1.00 0.00 C ATOM 477 NE ARG A 36 -8.093 -1.497 -10.295 1.00 0.00 N ATOM 478 CZ ARG A 36 -8.095 -0.727 -11.377 1.00 0.00 C ATOM 479 NH1 ARG A 36 -7.561 0.485 -11.334 1.00 0.00 N ATOM 480 NH2 ARG A 36 -8.632 -1.171 -12.507 1.00 0.00 N ATOM 0 H ARG A 36 -6.219 -5.410 -7.078 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.284 -2.890 -8.161 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.399 -3.713 -8.936 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.963 -4.027 -7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.094 -2.061 -7.919 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.778 -1.482 -6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.790 -0.049 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.436 -1.133 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.511 -2.425 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.147 0.829 -10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.564 1.074 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.043 -2.104 -12.544 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.633 -0.579 -13.338 1.00 0.00 H new ATOM 494 N VAL A 37 -4.903 -1.603 -6.091 1.00 0.00 N ATOM 495 CA VAL A 37 -4.696 -0.777 -4.907 1.00 0.00 C ATOM 496 C VAL A 37 -5.340 0.594 -5.075 1.00 0.00 C ATOM 497 O VAL A 37 -4.845 1.437 -5.824 1.00 0.00 O ATOM 498 CB VAL A 37 -3.197 -0.595 -4.606 1.00 0.00 C ATOM 499 CG1 VAL A 37 -3.003 0.209 -3.329 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.506 -1.946 -4.505 1.00 0.00 C ATOM 0 H VAL A 37 -4.300 -1.368 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.166 -1.296 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.744 -0.042 -5.428 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.938 0.328 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.462 1.191 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.470 -0.315 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.447 -1.798 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.960 -2.528 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.615 -2.482 -5.448 1.00 0.00 H new ATOM 510 N SER A 38 -6.447 0.812 -4.372 1.00 0.00 N ATOM 511 CA SER A 38 -7.162 2.081 -4.446 1.00 0.00 C ATOM 512 C SER A 38 -7.018 2.861 -3.143 1.00 0.00 C ATOM 513 O SER A 38 -7.035 2.284 -2.056 1.00 0.00 O ATOM 514 CB SER A 38 -8.642 1.840 -4.749 1.00 0.00 C ATOM 515 OG SER A 38 -9.274 1.148 -3.686 1.00 0.00 O ATOM 0 H SER A 38 -6.868 0.127 -3.745 1.00 0.00 H new ATOM 0 HA SER A 38 -6.725 2.670 -5.252 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.143 2.794 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.739 1.265 -5.670 1.00 0.00 H new ATOM 0 HG SER A 38 -10.219 1.008 -3.903 1.00 0.00 H new ATOM 521 N TRP A 39 -6.877 4.176 -3.261 1.00 0.00 N ATOM 522 CA TRP A 39 -6.730 5.037 -2.093 1.00 0.00 C ATOM 523 C TRP A 39 -7.473 6.354 -2.290 1.00 0.00 C ATOM 524 O TRP A 39 -8.052 6.598 -3.348 1.00 0.00 O ATOM 525 CB TRP A 39 -5.251 5.309 -1.816 1.00 0.00 C ATOM 526 CG TRP A 39 -4.549 5.990 -2.952 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.355 7.333 -3.108 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.952 5.361 -4.091 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.672 7.576 -4.276 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.413 6.383 -4.896 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.818 4.034 -4.508 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.753 6.118 -6.093 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.163 3.772 -5.696 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.636 4.809 -6.477 1.00 0.00 C ATOM 0 H TRP A 39 -6.861 4.670 -4.153 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.164 4.521 -1.236 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.164 5.926 -0.922 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.749 4.365 -1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.689 8.092 -2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.402 8.496 -4.624 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.219 3.228 -3.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.348 6.916 -6.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.055 2.750 -6.028 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.128 4.571 -7.400 1.00 0.00 H new ATOM 545 N ALA A 40 -7.453 7.199 -1.264 1.00 0.00 N ATOM 546 CA ALA A 40 -8.123 8.492 -1.327 1.00 0.00 C ATOM 547 C ALA A 40 -7.175 9.621 -0.939 1.00 0.00 C ATOM 548 O ALA A 40 -6.086 9.379 -0.418 1.00 0.00 O ATOM 549 CB ALA A 40 -9.348 8.496 -0.425 1.00 0.00 C ATOM 0 H ALA A 40 -6.980 7.011 -0.380 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.442 8.658 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.839 9.468 -0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.041 7.720 -0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.043 8.303 0.604 1.00 0.00 H new ATOM 555 N ASP A 41 -7.595 10.855 -1.196 1.00 0.00 N ATOM 556 CA ASP A 41 -6.782 12.022 -0.872 1.00 0.00 C ATOM 557 C ASP A 41 -7.541 12.975 0.047 1.00 0.00 C ATOM 558 O ASP A 41 -8.638 13.427 -0.280 1.00 0.00 O ATOM 559 CB ASP A 41 -6.367 12.751 -2.151 1.00 0.00 C ATOM 560 CG ASP A 41 -5.487 13.954 -1.872 1.00 0.00 C ATOM 561 OD1 ASP A 41 -4.636 13.868 -0.963 1.00 0.00 O ATOM 562 OD2 ASP A 41 -5.651 14.982 -2.563 1.00 0.00 O ATOM 0 H ASP A 41 -8.493 11.073 -1.627 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.888 11.678 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.835 12.059 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.259 13.074 -2.688 1.00 0.00 H new ATOM 753 N ARG A 54 0.476 16.710 -8.959 1.00 0.00 N ATOM 754 CA ARG A 54 1.500 15.934 -8.270 1.00 0.00 C ATOM 755 C ARG A 54 1.597 14.525 -8.849 1.00 0.00 C ATOM 756 O ARG A 54 0.910 14.191 -9.816 1.00 0.00 O ATOM 757 CB ARG A 54 1.193 15.861 -6.773 1.00 0.00 C ATOM 758 CG ARG A 54 0.389 17.044 -6.258 1.00 0.00 C ATOM 759 CD ARG A 54 -1.101 16.742 -6.247 1.00 0.00 C ATOM 760 NE ARG A 54 -1.469 15.764 -7.266 1.00 0.00 N ATOM 761 CZ ARG A 54 -2.722 15.396 -7.513 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.720 15.923 -6.819 1.00 0.00 N ATOM 763 NH2 ARG A 54 -2.977 14.499 -8.458 1.00 0.00 N ATOM 0 HA ARG A 54 2.458 16.434 -8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.644 14.942 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.131 15.802 -6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.717 17.297 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.580 17.916 -6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.387 16.367 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.659 17.664 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.724 15.340 -7.819 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.528 16.613 -6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.681 15.639 -7.011 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.211 14.092 -8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.939 14.217 -8.647 1.00 0.00 H new ATOM 777 N LEU A 55 2.454 13.704 -8.253 1.00 0.00 N ATOM 778 CA LEU A 55 2.641 12.331 -8.710 1.00 0.00 C ATOM 779 C LEU A 55 2.506 11.348 -7.551 1.00 0.00 C ATOM 780 O LEU A 55 3.052 11.569 -6.470 1.00 0.00 O ATOM 781 CB LEU A 55 4.013 12.175 -9.368 1.00 0.00 C ATOM 782 CG LEU A 55 4.422 10.749 -9.737 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.055 10.445 -11.182 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.913 10.545 -9.510 1.00 0.00 C ATOM 0 H LEU A 55 3.030 13.964 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 55 1.865 12.109 -9.443 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.031 12.782 -10.273 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.766 12.585 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 55 3.879 10.058 -9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.354 9.426 -11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.978 10.549 -11.313 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.570 11.142 -11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.186 9.524 -9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.474 11.245 -10.129 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.148 10.720 -8.460 1.00 0.00 H new ATOM 796 N TYR A 56 1.776 10.263 -7.785 1.00 0.00 N ATOM 797 CA TYR A 56 1.569 9.247 -6.760 1.00 0.00 C ATOM 798 C TYR A 56 2.381 7.992 -7.066 1.00 0.00 C ATOM 799 O TYR A 56 2.296 7.433 -8.160 1.00 0.00 O ATOM 800 CB TYR A 56 0.084 8.893 -6.656 1.00 0.00 C ATOM 801 CG TYR A 56 -0.726 9.906 -5.878 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.776 11.237 -6.275 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.440 9.533 -4.747 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.514 12.166 -5.567 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.182 10.454 -4.034 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.216 11.770 -4.448 1.00 0.00 C ATOM 807 OH TYR A 56 -2.952 12.691 -3.740 1.00 0.00 O ATOM 0 H TYR A 56 1.318 10.065 -8.675 1.00 0.00 H new ATOM 0 HA TYR A 56 1.907 9.654 -5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.331 8.802 -7.660 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.016 7.917 -6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.229 11.550 -7.152 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.415 8.504 -4.419 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.541 13.197 -5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.733 10.146 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.386 12.249 -2.981 1.00 0.00 H new ATOM 817 N THR A 57 3.170 7.553 -6.090 1.00 0.00 N ATOM 818 CA THR A 57 3.998 6.365 -6.252 1.00 0.00 C ATOM 819 C THR A 57 3.378 5.162 -5.552 1.00 0.00 C ATOM 820 O THR A 57 2.583 5.312 -4.624 1.00 0.00 O ATOM 821 CB THR A 57 5.418 6.591 -5.699 1.00 0.00 C ATOM 822 OG1 THR A 57 5.972 7.792 -6.247 1.00 0.00 O ATOM 823 CG2 THR A 57 6.322 5.413 -6.031 1.00 0.00 C ATOM 0 H THR A 57 3.253 8.003 -5.178 1.00 0.00 H new ATOM 0 HA THR A 57 4.059 6.166 -7.322 1.00 0.00 H new ATOM 0 HB THR A 57 5.351 6.684 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.030 8.475 -5.546 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.319 5.595 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.914 4.505 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.382 5.294 -7.113 1.00 0.00 H new ATOM 831 N VAL A 58 3.746 3.966 -6.002 1.00 0.00 N ATOM 832 CA VAL A 58 3.227 2.736 -5.417 1.00 0.00 C ATOM 833 C VAL A 58 4.308 1.665 -5.340 1.00 0.00 C ATOM 834 O VAL A 58 4.912 1.304 -6.350 1.00 0.00 O ATOM 835 CB VAL A 58 2.035 2.190 -6.225 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.352 1.058 -5.472 1.00 0.00 C ATOM 837 CG2 VAL A 58 1.048 3.305 -6.538 1.00 0.00 C ATOM 0 H VAL A 58 4.402 3.823 -6.770 1.00 0.00 H new ATOM 0 HA VAL A 58 2.891 2.982 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 58 2.410 1.792 -7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.512 0.685 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.065 0.250 -5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.989 1.426 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.212 2.901 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.677 3.735 -5.607 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.546 4.079 -7.122 1.00 0.00 H new ATOM 847 N ARG A 59 4.548 1.158 -4.135 1.00 0.00 N ATOM 848 CA ARG A 59 5.557 0.128 -3.925 1.00 0.00 C ATOM 849 C ARG A 59 4.985 -1.040 -3.128 1.00 0.00 C ATOM 850 O ARG A 59 3.977 -0.897 -2.436 1.00 0.00 O ATOM 851 CB ARG A 59 6.769 0.712 -3.197 1.00 0.00 C ATOM 852 CG ARG A 59 6.549 0.903 -1.705 1.00 0.00 C ATOM 853 CD ARG A 59 7.676 1.706 -1.075 1.00 0.00 C ATOM 854 NE ARG A 59 7.307 2.230 0.238 1.00 0.00 N ATOM 855 CZ ARG A 59 7.234 1.482 1.333 1.00 0.00 C ATOM 856 NH1 ARG A 59 7.504 0.185 1.274 1.00 0.00 N ATOM 857 NH2 ARG A 59 6.891 2.031 2.491 1.00 0.00 N ATOM 0 H ARG A 59 4.056 1.445 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 59 5.871 -0.241 -4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.625 0.054 -3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.023 1.673 -3.644 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.600 1.413 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.478 -0.070 -1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.560 1.076 -0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.944 2.533 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 59 7.094 3.224 0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.769 -0.241 0.386 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.447 -0.387 2.117 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.683 3.028 2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.835 1.456 3.331 1.00 0.00 H new ATOM 871 N TRP A 60 5.635 -2.194 -3.230 1.00 0.00 N ATOM 872 CA TRP A 60 5.190 -3.387 -2.518 1.00 0.00 C ATOM 873 C TRP A 60 6.324 -4.398 -2.388 1.00 0.00 C ATOM 874 O TRP A 60 7.120 -4.573 -3.311 1.00 0.00 O ATOM 875 CB TRP A 60 4.002 -4.024 -3.241 1.00 0.00 C ATOM 876 CG TRP A 60 4.255 -4.268 -4.698 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.649 -5.441 -5.277 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.134 -3.315 -5.760 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.779 -5.274 -6.635 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.468 -3.980 -6.956 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.773 -1.966 -5.817 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.453 -3.339 -8.193 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.759 -1.332 -7.045 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.096 -2.018 -8.219 1.00 0.00 C ATOM 0 H TRP A 60 6.471 -2.329 -3.798 1.00 0.00 H new ATOM 0 HA TRP A 60 4.879 -3.088 -1.517 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.757 -4.970 -2.759 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.131 -3.377 -3.134 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.831 -6.364 -4.746 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.061 -5.997 -7.297 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.510 -1.429 -4.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.714 -3.866 -9.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.483 -0.289 -7.100 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.074 -1.494 -9.163 1.00 0.00 H new ATOM 895 N ARG A 61 6.391 -5.061 -1.239 1.00 0.00 N ATOM 896 CA ARG A 61 7.429 -6.054 -0.989 1.00 0.00 C ATOM 897 C ARG A 61 6.855 -7.270 -0.267 1.00 0.00 C ATOM 898 O ARG A 61 5.973 -7.143 0.583 1.00 0.00 O ATOM 899 CB ARG A 61 8.560 -5.443 -0.161 1.00 0.00 C ATOM 900 CG ARG A 61 9.803 -6.316 -0.091 1.00 0.00 C ATOM 901 CD ARG A 61 10.447 -6.258 1.286 1.00 0.00 C ATOM 902 NE ARG A 61 11.898 -6.412 1.218 1.00 0.00 N ATOM 903 CZ ARG A 61 12.719 -6.079 2.208 1.00 0.00 C ATOM 904 NH1 ARG A 61 12.234 -5.577 3.335 1.00 0.00 N ATOM 905 NH2 ARG A 61 14.028 -6.249 2.071 1.00 0.00 N ATOM 0 H ARG A 61 5.739 -4.929 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 61 7.826 -6.378 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.829 -4.476 -0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.199 -5.257 0.851 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.539 -7.347 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.521 -5.990 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.205 -5.307 1.760 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.028 -7.043 1.916 1.00 0.00 H new ATOM 0 HE ARG A 61 12.303 -6.796 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.228 -5.446 3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.866 -5.322 4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.404 -6.635 1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.658 -5.993 2.831 1.00 0.00 H new ATOM 919 N THR A 62 7.362 -8.450 -0.611 1.00 0.00 N ATOM 920 CA THR A 62 6.900 -9.689 0.002 1.00 0.00 C ATOM 921 C THR A 62 6.728 -9.526 1.508 1.00 0.00 C ATOM 922 O THR A 62 7.649 -9.102 2.205 1.00 0.00 O ATOM 923 CB THR A 62 7.877 -10.849 -0.269 1.00 0.00 C ATOM 924 OG1 THR A 62 9.226 -10.370 -0.236 1.00 0.00 O ATOM 925 CG2 THR A 62 7.594 -11.490 -1.619 1.00 0.00 C ATOM 0 H THR A 62 8.093 -8.573 -1.311 1.00 0.00 H new ATOM 0 HA THR A 62 5.936 -9.924 -0.448 1.00 0.00 H new ATOM 0 HB THR A 62 7.739 -11.601 0.508 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.841 -11.113 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.296 -12.306 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.576 -11.879 -1.631 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.707 -10.745 -2.406 1.00 0.00 H new ATOM 933 N SER A 63 5.542 -9.867 2.003 1.00 0.00 N ATOM 934 CA SER A 63 5.248 -9.755 3.427 1.00 0.00 C ATOM 935 C SER A 63 5.831 -10.937 4.197 1.00 0.00 C ATOM 936 O SER A 63 5.622 -12.094 3.831 1.00 0.00 O ATOM 937 CB SER A 63 3.737 -9.680 3.653 1.00 0.00 C ATOM 938 OG SER A 63 3.266 -8.350 3.516 1.00 0.00 O ATOM 0 H SER A 63 4.770 -10.223 1.439 1.00 0.00 H new ATOM 0 HA SER A 63 5.709 -8.839 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.227 -10.325 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.496 -10.054 4.648 1.00 0.00 H new ATOM 0 HG SER A 63 2.297 -8.329 3.664 1.00 0.00 H new ATOM 1028 N TYR A 70 12.244 -4.210 -3.380 1.00 0.00 N ATOM 1029 CA TYR A 70 11.071 -3.345 -3.374 1.00 0.00 C ATOM 1030 C TYR A 70 10.759 -2.839 -4.779 1.00 0.00 C ATOM 1031 O TYR A 70 11.639 -2.343 -5.483 1.00 0.00 O ATOM 1032 CB TYR A 70 11.290 -2.161 -2.431 1.00 0.00 C ATOM 1033 CG TYR A 70 10.848 -2.428 -1.010 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.695 -3.055 -0.104 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.583 -2.054 -0.573 1.00 0.00 C ATOM 1036 CE1 TYR A 70 11.295 -3.303 1.195 1.00 0.00 C ATOM 1037 CE2 TYR A 70 9.175 -2.296 0.725 1.00 0.00 C ATOM 1038 CZ TYR A 70 10.034 -2.921 1.605 1.00 0.00 C ATOM 1039 OH TYR A 70 9.633 -3.164 2.898 1.00 0.00 O ATOM 0 HA TYR A 70 10.222 -3.930 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.348 -1.899 -2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.748 -1.297 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.683 -3.354 -0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.907 -1.566 -1.260 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.965 -3.793 1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 70 8.189 -1.997 1.049 1.00 0.00 H new ATOM 0 HH TYR A 70 8.720 -2.833 3.025 1.00 0.00 H new ATOM 1049 N LYS A 71 9.500 -2.968 -5.181 1.00 0.00 N ATOM 1050 CA LYS A 71 9.068 -2.524 -6.501 1.00 0.00 C ATOM 1051 C LYS A 71 8.455 -1.129 -6.432 1.00 0.00 C ATOM 1052 O LYS A 71 7.954 -0.712 -5.388 1.00 0.00 O ATOM 1053 CB LYS A 71 8.055 -3.509 -7.088 1.00 0.00 C ATOM 1054 CG LYS A 71 8.083 -3.579 -8.605 1.00 0.00 C ATOM 1055 CD LYS A 71 7.631 -4.940 -9.109 1.00 0.00 C ATOM 1056 CE LYS A 71 8.130 -5.205 -10.521 1.00 0.00 C ATOM 1057 NZ LYS A 71 9.493 -5.805 -10.524 1.00 0.00 N ATOM 0 H LYS A 71 8.760 -3.377 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 71 9.944 -2.486 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.250 -4.502 -6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.054 -3.224 -6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.437 -2.804 -9.018 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.093 -3.375 -8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.999 -5.718 -8.440 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.542 -4.993 -9.091 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.437 -5.874 -11.031 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.143 -4.271 -11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.797 -5.970 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.159 -5.155 -10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.476 -6.709 -10.010 1.00 0.00 H new ATOM 1071 N SER A 72 8.496 -0.413 -7.551 1.00 0.00 N ATOM 1072 CA SER A 72 7.946 0.936 -7.616 1.00 0.00 C ATOM 1073 C SER A 72 7.348 1.213 -8.992 1.00 0.00 C ATOM 1074 O SER A 72 7.900 0.805 -10.014 1.00 0.00 O ATOM 1075 CB SER A 72 9.032 1.968 -7.302 1.00 0.00 C ATOM 1076 OG SER A 72 10.160 1.793 -8.142 1.00 0.00 O ATOM 0 H SER A 72 8.904 -0.745 -8.425 1.00 0.00 H new ATOM 0 HA SER A 72 7.153 1.015 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.631 2.973 -7.431 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.334 1.877 -6.259 1.00 0.00 H new ATOM 0 HG SER A 72 10.839 2.465 -7.923 1.00 0.00 H new ATOM 1082 N GLU A 73 6.217 1.910 -9.009 1.00 0.00 N ATOM 1083 CA GLU A 73 5.543 2.241 -10.260 1.00 0.00 C ATOM 1084 C GLU A 73 4.841 3.592 -10.158 1.00 0.00 C ATOM 1085 O GLU A 73 4.186 3.890 -9.159 1.00 0.00 O ATOM 1086 CB GLU A 73 4.530 1.154 -10.622 1.00 0.00 C ATOM 1087 CG GLU A 73 3.903 1.338 -11.994 1.00 0.00 C ATOM 1088 CD GLU A 73 4.823 2.054 -12.964 1.00 0.00 C ATOM 1089 OE1 GLU A 73 5.965 1.587 -13.154 1.00 0.00 O ATOM 1090 OE2 GLU A 73 4.400 3.082 -13.533 1.00 0.00 O ATOM 0 H GLU A 73 5.748 2.256 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 73 6.297 2.301 -11.045 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.023 0.183 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.741 1.140 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.639 0.363 -12.402 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.976 1.903 -11.893 1.00 0.00 H new ATOM 1097 N ASP A 74 4.983 4.406 -11.199 1.00 0.00 N ATOM 1098 CA ASP A 74 4.363 5.725 -11.228 1.00 0.00 C ATOM 1099 C ASP A 74 2.946 5.648 -11.790 1.00 0.00 C ATOM 1100 O ASP A 74 2.687 4.925 -12.753 1.00 0.00 O ATOM 1101 CB ASP A 74 5.205 6.690 -12.065 1.00 0.00 C ATOM 1102 CG ASP A 74 4.857 6.632 -13.540 1.00 0.00 C ATOM 1103 OD1 ASP A 74 3.686 6.896 -13.884 1.00 0.00 O ATOM 1104 OD2 ASP A 74 5.755 6.321 -14.350 1.00 0.00 O ATOM 0 H ASP A 74 5.522 4.175 -12.034 1.00 0.00 H new ATOM 0 HA ASP A 74 4.309 6.096 -10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.058 7.706 -11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.261 6.454 -11.934 1.00 0.00 H new ATOM 1109 N THR A 75 2.032 6.396 -11.182 1.00 0.00 N ATOM 1110 CA THR A 75 0.642 6.410 -11.619 1.00 0.00 C ATOM 1111 C THR A 75 -0.031 7.732 -11.269 1.00 0.00 C ATOM 1112 O THR A 75 0.018 8.183 -10.123 1.00 0.00 O ATOM 1113 CB THR A 75 -0.159 5.256 -10.986 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.553 5.412 -11.274 1.00 0.00 O ATOM 1115 CG2 THR A 75 0.052 5.213 -9.481 1.00 0.00 C ATOM 0 H THR A 75 2.229 7.001 -10.385 1.00 0.00 H new ATOM 0 HA THR A 75 0.651 6.285 -12.702 1.00 0.00 H new ATOM 0 HB THR A 75 0.197 4.318 -11.413 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.055 4.674 -10.870 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.523 4.390 -9.056 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.110 5.065 -9.266 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.279 6.153 -9.040 1.00 0.00 H new ATOM 1123 N THR A 76 -0.663 8.352 -12.262 1.00 0.00 N ATOM 1124 CA THR A 76 -1.346 9.623 -12.058 1.00 0.00 C ATOM 1125 C THR A 76 -2.824 9.410 -11.751 1.00 0.00 C ATOM 1126 O THR A 76 -3.680 10.154 -12.230 1.00 0.00 O ATOM 1127 CB THR A 76 -1.215 10.535 -13.293 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.544 9.803 -14.479 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.196 11.091 -13.408 1.00 0.00 C ATOM 0 H THR A 76 -0.715 7.994 -13.216 1.00 0.00 H new ATOM 0 HA THR A 76 -0.868 10.106 -11.206 1.00 0.00 H new ATOM 0 HB THR A 76 -1.908 11.369 -13.177 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.460 10.390 -15.259 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.264 11.732 -14.287 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.432 11.672 -12.516 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.905 10.268 -13.503 1.00 0.00 H new ATOM 1137 N SER A 77 -3.116 8.390 -10.951 1.00 0.00 N ATOM 1138 CA SER A 77 -4.492 8.078 -10.583 1.00 0.00 C ATOM 1139 C SER A 77 -4.571 7.587 -9.140 1.00 0.00 C ATOM 1140 O SER A 77 -3.549 7.324 -8.505 1.00 0.00 O ATOM 1141 CB SER A 77 -5.067 7.018 -11.525 1.00 0.00 C ATOM 1142 OG SER A 77 -5.248 7.541 -12.830 1.00 0.00 O ATOM 0 H SER A 77 -2.419 7.766 -10.545 1.00 0.00 H new ATOM 0 HA SER A 77 -5.081 8.991 -10.671 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.397 6.159 -11.564 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.021 6.661 -11.137 1.00 0.00 H new ATOM 0 HG SER A 77 -5.615 6.844 -13.414 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.791 7.466 -8.629 1.00 0.00 N ATOM 1149 CA LEU A 78 -6.005 7.007 -7.261 1.00 0.00 C ATOM 1150 C LEU A 78 -6.264 5.504 -7.225 1.00 0.00 C ATOM 1151 O LEU A 78 -6.901 4.996 -6.302 1.00 0.00 O ATOM 1152 CB LEU A 78 -7.181 7.755 -6.629 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.997 9.261 -6.445 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.346 9.952 -6.315 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -6.130 9.547 -5.227 1.00 0.00 C ATOM 0 H LEU A 78 -6.647 7.679 -9.141 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.101 7.215 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -8.064 7.590 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.386 7.312 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.493 9.657 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.195 11.024 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.934 9.775 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.877 9.553 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.009 10.624 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.607 9.137 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.152 9.085 -5.360 1.00 0.00 H new ATOM 1167 N SER A 79 -5.765 4.799 -8.234 1.00 0.00 N ATOM 1168 CA SER A 79 -5.944 3.354 -8.319 1.00 0.00 C ATOM 1169 C SER A 79 -4.921 2.734 -9.266 1.00 0.00 C ATOM 1170 O SER A 79 -4.821 3.122 -10.431 1.00 0.00 O ATOM 1171 CB SER A 79 -7.361 3.021 -8.792 1.00 0.00 C ATOM 1172 OG SER A 79 -7.591 3.517 -10.100 1.00 0.00 O ATOM 0 H SER A 79 -5.233 5.204 -9.004 1.00 0.00 H new ATOM 0 HA SER A 79 -5.793 2.935 -7.324 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.508 1.941 -8.778 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.088 3.451 -8.103 1.00 0.00 H new ATOM 0 HG SER A 79 -6.759 3.476 -10.616 1.00 0.00 H new ATOM 1178 N TYR A 80 -4.163 1.769 -8.758 1.00 0.00 N ATOM 1179 CA TYR A 80 -3.145 1.097 -9.557 1.00 0.00 C ATOM 1180 C TYR A 80 -3.360 -0.414 -9.554 1.00 0.00 C ATOM 1181 O TYR A 80 -3.893 -0.976 -8.596 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.749 1.425 -9.024 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.643 0.655 -9.708 1.00 0.00 C ATOM 1184 CD1 TYR A 80 -0.153 1.056 -10.945 1.00 0.00 C ATOM 1185 CD2 TYR A 80 -0.088 -0.474 -9.119 1.00 0.00 C ATOM 1186 CE1 TYR A 80 0.858 0.355 -11.575 1.00 0.00 C ATOM 1187 CE2 TYR A 80 0.923 -1.181 -9.741 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.393 -0.762 -10.969 1.00 0.00 C ATOM 1189 OH TYR A 80 2.399 -1.464 -11.592 1.00 0.00 O ATOM 0 H TYR A 80 -4.234 1.435 -7.797 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.229 1.456 -10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.565 2.493 -9.144 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.719 1.215 -7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.569 1.931 -11.422 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.453 -0.805 -8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.227 0.680 -12.537 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.343 -2.057 -9.269 1.00 0.00 H new ATOM 0 HH TYR A 80 2.664 -2.223 -11.031 1.00 0.00 H new ATOM 1199 N THR A 81 -2.941 -1.067 -10.633 1.00 0.00 N ATOM 1200 CA THR A 81 -3.087 -2.512 -10.757 1.00 0.00 C ATOM 1201 C THR A 81 -1.729 -3.204 -10.748 1.00 0.00 C ATOM 1202 O THR A 81 -1.043 -3.259 -11.768 1.00 0.00 O ATOM 1203 CB THR A 81 -3.836 -2.892 -12.048 1.00 0.00 C ATOM 1204 OG1 THR A 81 -5.083 -2.192 -12.115 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.086 -4.391 -12.107 1.00 0.00 C ATOM 0 H THR A 81 -2.497 -0.618 -11.434 1.00 0.00 H new ATOM 0 HA THR A 81 -3.668 -2.846 -9.897 1.00 0.00 H new ATOM 0 HB THR A 81 -3.215 -2.610 -12.898 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.552 -2.438 -12.940 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.616 -4.635 -13.027 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.133 -4.920 -12.086 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.688 -4.693 -11.250 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.347 -3.733 -9.589 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.072 -4.425 -9.449 1.00 0.00 C ATOM 1215 C ALA A 82 -0.111 -5.791 -10.126 1.00 0.00 C ATOM 1216 O ALA A 82 -0.700 -6.738 -9.604 1.00 0.00 O ATOM 1217 CB ALA A 82 0.288 -4.573 -7.978 1.00 0.00 C ATOM 0 H ALA A 82 -1.903 -3.695 -8.734 1.00 0.00 H new ATOM 0 HA ALA A 82 0.694 -3.827 -9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.242 -5.092 -7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.366 -3.586 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.487 -5.147 -7.470 1.00 0.00 H new ATOM 1223 N THR A 83 0.519 -5.886 -11.293 1.00 0.00 N ATOM 1224 CA THR A 83 0.555 -7.135 -12.042 1.00 0.00 C ATOM 1225 C THR A 83 1.928 -7.792 -11.952 1.00 0.00 C ATOM 1226 O THR A 83 2.925 -7.130 -11.667 1.00 0.00 O ATOM 1227 CB THR A 83 0.202 -6.911 -13.525 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.192 -6.083 -14.144 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.167 -6.263 -13.663 1.00 0.00 C ATOM 0 H THR A 83 1.011 -5.112 -11.739 1.00 0.00 H new ATOM 0 HA THR A 83 -0.189 -7.793 -11.594 1.00 0.00 H new ATOM 0 HB THR A 83 0.179 -7.881 -14.021 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.962 -5.947 -15.087 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.395 -6.115 -14.719 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.922 -6.910 -13.216 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.167 -5.300 -13.153 1.00 0.00 H new ATOM 1237 N GLY A 84 1.972 -9.098 -12.198 1.00 0.00 N ATOM 1238 CA GLY A 84 3.228 -9.821 -12.140 1.00 0.00 C ATOM 1239 C GLY A 84 3.653 -10.132 -10.718 1.00 0.00 C ATOM 1240 O GLY A 84 4.821 -9.970 -10.362 1.00 0.00 O ATOM 0 H GLY A 84 1.160 -9.668 -12.436 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.134 -10.752 -12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.005 -9.233 -12.628 1.00 0.00 H new ATOM 1244 N LEU A 85 2.704 -10.579 -9.903 1.00 0.00 N ATOM 1245 CA LEU A 85 2.986 -10.911 -8.511 1.00 0.00 C ATOM 1246 C LEU A 85 3.007 -12.423 -8.306 1.00 0.00 C ATOM 1247 O LEU A 85 2.802 -13.191 -9.246 1.00 0.00 O ATOM 1248 CB LEU A 85 1.941 -10.275 -7.592 1.00 0.00 C ATOM 1249 CG LEU A 85 1.467 -8.875 -7.984 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.107 -8.581 -7.370 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.485 -7.829 -7.555 1.00 0.00 C ATOM 0 H LEU A 85 1.733 -10.720 -10.182 1.00 0.00 H new ATOM 0 HA LEU A 85 3.970 -10.515 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.073 -10.933 -7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.353 -10.229 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 85 1.369 -8.835 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.214 -7.581 -7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.619 -9.312 -7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.178 -8.639 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.132 -6.838 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.614 -7.869 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.439 -8.029 -8.042 1.00 0.00 H new ATOM 1263 N LYS A 86 3.254 -12.843 -7.070 1.00 0.00 N ATOM 1264 CA LYS A 86 3.299 -14.263 -6.739 1.00 0.00 C ATOM 1265 C LYS A 86 1.950 -14.741 -6.210 1.00 0.00 C ATOM 1266 O LYS A 86 1.325 -14.100 -5.365 1.00 0.00 O ATOM 1267 CB LYS A 86 4.390 -14.531 -5.700 1.00 0.00 C ATOM 1268 CG LYS A 86 4.595 -16.006 -5.401 1.00 0.00 C ATOM 1269 CD LYS A 86 5.483 -16.210 -4.184 1.00 0.00 C ATOM 1270 CE LYS A 86 6.923 -15.815 -4.473 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.606 -16.809 -5.346 1.00 0.00 N ATOM 0 H LYS A 86 3.426 -12.220 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 86 3.529 -14.816 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.329 -14.107 -6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.135 -14.013 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.629 -16.482 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.044 -16.495 -6.266 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.102 -15.619 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.446 -17.255 -3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.942 -14.837 -4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.469 -15.720 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.621 -16.588 -5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.478 -17.763 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.196 -16.772 -6.301 1.00 0.00 H new ATOM 1285 N PRO A 87 1.490 -15.894 -6.717 1.00 0.00 N ATOM 1286 CA PRO A 87 0.212 -16.485 -6.308 1.00 0.00 C ATOM 1287 C PRO A 87 0.249 -17.014 -4.878 1.00 0.00 C ATOM 1288 O PRO A 87 1.310 -17.367 -4.364 1.00 0.00 O ATOM 1289 CB PRO A 87 0.020 -17.635 -7.299 1.00 0.00 C ATOM 1290 CG PRO A 87 1.398 -17.995 -7.734 1.00 0.00 C ATOM 1291 CD PRO A 87 2.183 -16.712 -7.727 1.00 0.00 C ATOM 0 HA PRO A 87 -0.597 -15.755 -6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.481 -18.482 -6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.595 -17.330 -8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.841 -18.727 -7.059 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.389 -18.442 -8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.226 -16.881 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.177 -16.232 -8.706 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.916 -17.066 -4.241 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.017 -17.553 -2.870 1.00 0.00 C ATOM 1301 C ASN A 88 -0.022 -16.834 -1.964 1.00 0.00 C ATOM 1302 O ASN A 88 0.465 -17.400 -0.984 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.769 -19.062 -2.822 1.00 0.00 C ATOM 1304 CG ASN A 88 0.692 -19.415 -3.028 1.00 0.00 C ATOM 1305 OD1 ASN A 88 1.009 -19.960 -4.196 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 1.524 -19.198 -2.147 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.804 -16.777 -4.652 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.025 -17.346 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.102 -19.452 -1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.370 -19.551 -3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.234 -18.777 -1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.503 -19.439 -2.300 1.00 0.00 H new ATOM 1313 N THR A 89 0.276 -15.582 -2.297 1.00 0.00 N ATOM 1314 CA THR A 89 1.213 -14.785 -1.514 1.00 0.00 C ATOM 1315 C THR A 89 0.684 -13.373 -1.294 1.00 0.00 C ATOM 1316 O THR A 89 0.110 -12.767 -2.199 1.00 0.00 O ATOM 1317 CB THR A 89 2.590 -14.704 -2.199 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.868 -15.929 -2.887 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.686 -14.428 -1.181 1.00 0.00 C ATOM 0 H THR A 89 -0.118 -15.098 -3.104 1.00 0.00 H new ATOM 0 HA THR A 89 1.323 -15.283 -0.551 1.00 0.00 H new ATOM 0 HB THR A 89 2.567 -13.883 -2.915 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.236 -16.039 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.649 -14.375 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.487 -13.480 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.708 -15.230 -0.444 1.00 0.00 H new ATOM 1327 N MET A 90 0.880 -12.854 -0.087 1.00 0.00 N ATOM 1328 CA MET A 90 0.423 -11.510 0.251 1.00 0.00 C ATOM 1329 C MET A 90 1.606 -10.588 0.531 1.00 0.00 C ATOM 1330 O MET A 90 2.675 -11.041 0.940 1.00 0.00 O ATOM 1331 CB MET A 90 -0.504 -11.554 1.467 1.00 0.00 C ATOM 1332 CG MET A 90 -0.875 -10.179 1.998 1.00 0.00 C ATOM 1333 SD MET A 90 -1.927 -10.260 3.461 1.00 0.00 S ATOM 1334 CE MET A 90 -0.764 -10.867 4.681 1.00 0.00 C ATOM 0 H MET A 90 1.352 -13.343 0.674 1.00 0.00 H new ATOM 0 HA MET A 90 -0.128 -11.115 -0.602 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.415 -12.089 1.200 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.021 -12.123 2.261 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.035 -9.629 2.239 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.388 -9.618 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.175 -10.721 5.680 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.583 -11.929 4.515 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.175 -10.321 4.592 1.00 0.00 H new ATOM 1344 N TYR A 91 1.407 -9.294 0.309 1.00 0.00 N ATOM 1345 CA TYR A 91 2.458 -8.309 0.535 1.00 0.00 C ATOM 1346 C TYR A 91 1.874 -7.001 1.061 1.00 0.00 C ATOM 1347 O TYR A 91 0.667 -6.888 1.270 1.00 0.00 O ATOM 1348 CB TYR A 91 3.232 -8.052 -0.759 1.00 0.00 C ATOM 1349 CG TYR A 91 3.044 -9.131 -1.802 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.559 -10.407 -1.610 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.352 -8.874 -2.979 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.390 -11.395 -2.560 1.00 0.00 C ATOM 1353 CE2 TYR A 91 2.177 -9.856 -3.934 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.698 -11.115 -3.720 1.00 0.00 C ATOM 1355 OH TYR A 91 2.527 -12.097 -4.669 1.00 0.00 O ATOM 0 H TYR A 91 0.527 -8.902 -0.027 1.00 0.00 H new ATOM 0 HA TYR A 91 3.141 -8.708 1.285 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.917 -7.096 -1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.293 -7.964 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.101 -10.630 -0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.944 -7.889 -3.150 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.797 -12.382 -2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.635 -9.639 -4.843 1.00 0.00 H new ATOM 0 HH TYR A 91 1.746 -12.642 -4.438 1.00 0.00 H new ATOM 1365 N GLU A 92 2.742 -6.016 1.271 1.00 0.00 N ATOM 1366 CA GLU A 92 2.314 -4.715 1.772 1.00 0.00 C ATOM 1367 C GLU A 92 2.356 -3.665 0.666 1.00 0.00 C ATOM 1368 O GLU A 92 3.262 -3.661 -0.168 1.00 0.00 O ATOM 1369 CB GLU A 92 3.199 -4.277 2.940 1.00 0.00 C ATOM 1370 CG GLU A 92 4.322 -3.338 2.534 1.00 0.00 C ATOM 1371 CD GLU A 92 5.344 -4.005 1.634 1.00 0.00 C ATOM 1372 OE1 GLU A 92 5.860 -5.076 2.015 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.627 -3.456 0.548 1.00 0.00 O ATOM 0 H GLU A 92 3.745 -6.094 1.102 1.00 0.00 H new ATOM 0 HA GLU A 92 1.286 -4.809 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.579 -3.786 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.629 -5.161 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.900 -2.474 2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.820 -2.965 3.429 1.00 0.00 H new ATOM 1380 N PHE A 93 1.368 -2.776 0.664 1.00 0.00 N ATOM 1381 CA PHE A 93 1.291 -1.721 -0.340 1.00 0.00 C ATOM 1382 C PHE A 93 1.112 -0.356 0.318 1.00 0.00 C ATOM 1383 O PHE A 93 0.340 -0.208 1.265 1.00 0.00 O ATOM 1384 CB PHE A 93 0.134 -1.990 -1.305 1.00 0.00 C ATOM 1385 CG PHE A 93 0.342 -3.203 -2.167 1.00 0.00 C ATOM 1386 CD1 PHE A 93 0.105 -4.473 -1.667 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.773 -3.072 -3.477 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.296 -5.590 -2.458 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.966 -4.186 -4.272 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.726 -5.446 -3.762 1.00 0.00 C ATOM 0 H PHE A 93 0.610 -2.765 1.346 1.00 0.00 H new ATOM 0 HA PHE A 93 2.227 -1.716 -0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.785 -2.114 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.005 -1.119 -1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.233 -4.591 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.960 -2.088 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.109 -6.575 -2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.304 -4.071 -5.291 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.874 -6.318 -4.382 1.00 0.00 H new ATOM 1400 N SER A 94 1.833 0.638 -0.191 1.00 0.00 N ATOM 1401 CA SER A 94 1.758 1.990 0.349 1.00 0.00 C ATOM 1402 C SER A 94 1.791 3.025 -0.771 1.00 0.00 C ATOM 1403 O SER A 94 2.459 2.836 -1.788 1.00 0.00 O ATOM 1404 CB SER A 94 2.913 2.238 1.321 1.00 0.00 C ATOM 1405 OG SER A 94 2.561 3.206 2.295 1.00 0.00 O ATOM 0 H SER A 94 2.475 0.532 -0.976 1.00 0.00 H new ATOM 0 HA SER A 94 0.814 2.089 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.185 1.304 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.791 2.575 0.769 1.00 0.00 H new ATOM 0 HG SER A 94 1.956 2.803 2.953 1.00 0.00 H new ATOM 1411 N VAL A 95 1.063 4.121 -0.578 1.00 0.00 N ATOM 1412 CA VAL A 95 1.009 5.188 -1.570 1.00 0.00 C ATOM 1413 C VAL A 95 1.555 6.494 -1.004 1.00 0.00 C ATOM 1414 O VAL A 95 1.492 6.734 0.201 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.431 5.419 -2.067 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.445 6.413 -3.218 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.068 4.101 -2.483 1.00 0.00 C ATOM 0 H VAL A 95 0.502 4.293 0.257 1.00 0.00 H new ATOM 0 HA VAL A 95 1.629 4.872 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.017 5.838 -1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.470 6.564 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.030 7.364 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.155 6.025 -4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.085 4.282 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.484 3.652 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.092 3.423 -1.630 1.00 0.00 H new ATOM 1427 N MET A 96 2.090 7.335 -1.883 1.00 0.00 N ATOM 1428 CA MET A 96 2.646 8.619 -1.470 1.00 0.00 C ATOM 1429 C MET A 96 2.486 9.660 -2.573 1.00 0.00 C ATOM 1430 O MET A 96 1.867 9.397 -3.605 1.00 0.00 O ATOM 1431 CB MET A 96 4.124 8.466 -1.108 1.00 0.00 C ATOM 1432 CG MET A 96 4.969 7.888 -2.232 1.00 0.00 C ATOM 1433 SD MET A 96 5.645 9.160 -3.316 1.00 0.00 S ATOM 1434 CE MET A 96 6.767 9.997 -2.199 1.00 0.00 C ATOM 0 H MET A 96 2.150 7.151 -2.884 1.00 0.00 H new ATOM 0 HA MET A 96 2.098 8.959 -0.591 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.524 9.441 -0.828 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.210 7.823 -0.232 1.00 0.00 H new ATOM 0 HG2 MET A 96 5.787 7.308 -1.805 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.363 7.199 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A 96 6.782 11.062 -2.429 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.433 9.852 -1.172 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.770 9.587 -2.316 1.00 0.00 H new ATOM 1444 N VAL A 97 3.047 10.844 -2.349 1.00 0.00 N ATOM 1445 CA VAL A 97 2.967 11.925 -3.325 1.00 0.00 C ATOM 1446 C VAL A 97 4.252 12.746 -3.341 1.00 0.00 C ATOM 1447 O VAL A 97 4.923 12.890 -2.319 1.00 0.00 O ATOM 1448 CB VAL A 97 1.778 12.859 -3.032 1.00 0.00 C ATOM 1449 CG1 VAL A 97 1.815 13.334 -1.587 1.00 0.00 C ATOM 1450 CG2 VAL A 97 1.779 14.040 -3.991 1.00 0.00 C ATOM 0 H VAL A 97 3.562 11.079 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 97 2.823 11.461 -4.301 1.00 0.00 H new ATOM 0 HB VAL A 97 0.854 12.300 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.967 13.993 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.761 12.474 -0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.743 13.876 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.932 14.689 -3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.706 14.601 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.699 13.677 -5.016 1.00 0.00 H new ATOM 1460 N THR A 98 4.589 13.284 -4.510 1.00 0.00 N ATOM 1461 CA THR A 98 5.793 14.090 -4.661 1.00 0.00 C ATOM 1462 C THR A 98 5.474 15.443 -5.286 1.00 0.00 C ATOM 1463 O THR A 98 5.334 15.559 -6.504 1.00 0.00 O ATOM 1464 CB THR A 98 6.845 13.372 -5.527 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.291 12.181 -4.870 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.033 14.282 -5.800 1.00 0.00 C ATOM 0 H THR A 98 4.044 13.175 -5.365 1.00 0.00 H new ATOM 0 HA THR A 98 6.199 14.242 -3.661 1.00 0.00 H new ATOM 0 HB THR A 98 6.382 13.109 -6.478 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.157 12.348 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.763 13.753 -6.413 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.694 15.174 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.494 14.571 -4.856 1.00 0.00 H new ATOM 1474 N LYS A 99 5.360 16.466 -4.446 1.00 0.00 N ATOM 1475 CA LYS A 99 5.059 17.813 -4.916 1.00 0.00 C ATOM 1476 C LYS A 99 6.091 18.812 -4.401 1.00 0.00 C ATOM 1477 O LYS A 99 6.761 18.566 -3.400 1.00 0.00 O ATOM 1478 CB LYS A 99 3.658 18.232 -4.464 1.00 0.00 C ATOM 1479 CG LYS A 99 2.980 19.208 -5.410 1.00 0.00 C ATOM 1480 CD LYS A 99 1.662 19.709 -4.845 1.00 0.00 C ATOM 1481 CE LYS A 99 1.862 20.933 -3.965 1.00 0.00 C ATOM 1482 NZ LYS A 99 2.572 22.025 -4.687 1.00 0.00 N ATOM 0 H LYS A 99 5.472 16.388 -3.435 1.00 0.00 H new ATOM 0 HA LYS A 99 5.096 17.808 -6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.036 17.342 -4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.725 18.685 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.642 20.054 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.804 18.723 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.984 19.954 -5.663 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.189 18.916 -4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.893 21.295 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.431 20.654 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.095 22.930 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.556 22.078 -4.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.562 21.830 -5.708 1.00 0.00 H new ATOM 1496 N ASN A 100 6.211 19.941 -5.092 1.00 0.00 N ATOM 1497 CA ASN A 100 7.160 20.978 -4.704 1.00 0.00 C ATOM 1498 C ASN A 100 8.595 20.469 -4.811 1.00 0.00 C ATOM 1499 O ASN A 100 9.433 20.761 -3.958 1.00 0.00 O ATOM 1500 CB ASN A 100 6.879 21.446 -3.275 1.00 0.00 C ATOM 1501 CG ASN A 100 5.911 22.612 -3.228 1.00 0.00 C ATOM 1502 OD1 ASN A 100 5.189 22.872 -4.191 1.00 0.00 O ATOM 1503 ND2 ASN A 100 5.893 23.322 -2.106 1.00 0.00 N ATOM 0 H ASN A 100 5.663 20.161 -5.924 1.00 0.00 H new ATOM 0 HA ASN A 100 7.040 21.820 -5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.472 20.616 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.816 21.736 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.263 24.119 -2.017 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.509 23.070 -1.333 1.00 0.00 H new ATOM 1510 N ARG A 101 8.870 19.709 -5.866 1.00 0.00 N ATOM 1511 CA ARG A 101 10.202 19.160 -6.086 1.00 0.00 C ATOM 1512 C ARG A 101 10.660 18.346 -4.879 1.00 0.00 C ATOM 1513 O ARG A 101 11.857 18.234 -4.611 1.00 0.00 O ATOM 1514 CB ARG A 101 11.201 20.284 -6.365 1.00 0.00 C ATOM 1515 CG ARG A 101 11.209 20.747 -7.812 1.00 0.00 C ATOM 1516 CD ARG A 101 12.001 19.797 -8.697 1.00 0.00 C ATOM 1517 NE ARG A 101 11.572 19.861 -10.091 1.00 0.00 N ATOM 1518 CZ ARG A 101 11.905 18.956 -11.005 1.00 0.00 C ATOM 1519 NH1 ARG A 101 12.666 17.923 -10.673 1.00 0.00 N ATOM 1520 NH2 ARG A 101 11.476 19.084 -12.254 1.00 0.00 N ATOM 0 H ARG A 101 8.188 19.460 -6.582 1.00 0.00 H new ATOM 0 HA ARG A 101 10.157 18.500 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 101 10.968 21.133 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.201 19.945 -6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.185 20.818 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 101 11.639 21.747 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.061 20.041 -8.633 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.886 18.778 -8.329 1.00 0.00 H new ATOM 0 HE ARG A 101 10.984 20.643 -10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 101 12.998 17.821 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.920 17.230 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.890 19.878 -12.513 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.732 18.389 -12.955 1.00 0.00 H new ATOM 1534 N ARG A 102 9.700 17.780 -4.154 1.00 0.00 N ATOM 1535 CA ARG A 102 10.005 16.978 -2.975 1.00 0.00 C ATOM 1536 C ARG A 102 9.018 15.823 -2.834 1.00 0.00 C ATOM 1537 O ARG A 102 7.885 15.900 -3.308 1.00 0.00 O ATOM 1538 CB ARG A 102 9.971 17.849 -1.718 1.00 0.00 C ATOM 1539 CG ARG A 102 8.567 18.232 -1.280 1.00 0.00 C ATOM 1540 CD ARG A 102 8.526 18.608 0.193 1.00 0.00 C ATOM 1541 NE ARG A 102 8.955 17.506 1.051 1.00 0.00 N ATOM 1542 CZ ARG A 102 10.208 17.334 1.455 1.00 0.00 C ATOM 1543 NH1 ARG A 102 11.152 18.186 1.080 1.00 0.00 N ATOM 1544 NH2 ARG A 102 10.520 16.307 2.235 1.00 0.00 N ATOM 0 H ARG A 102 8.705 17.862 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 102 11.006 16.565 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.464 17.317 -0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.546 18.757 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.213 19.070 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.888 17.399 -1.463 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.168 19.472 0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 102 7.513 18.905 0.463 1.00 0.00 H new ATOM 0 HE ARG A 102 8.253 16.832 1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.917 18.976 0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.114 18.051 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.797 15.649 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.483 16.176 2.545 1.00 0.00 H new ATOM 1558 N SER A 103 9.458 14.753 -2.179 1.00 0.00 N ATOM 1559 CA SER A 103 8.615 13.580 -1.979 1.00 0.00 C ATOM 1560 C SER A 103 7.988 13.593 -0.588 1.00 0.00 C ATOM 1561 O SER A 103 8.580 14.093 0.368 1.00 0.00 O ATOM 1562 CB SER A 103 9.432 12.301 -2.170 1.00 0.00 C ATOM 1563 OG SER A 103 9.652 12.037 -3.545 1.00 0.00 O ATOM 0 H SER A 103 10.393 14.674 -1.778 1.00 0.00 H new ATOM 0 HA SER A 103 7.816 13.607 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.389 12.397 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.909 11.460 -1.714 1.00 0.00 H new ATOM 0 HG SER A 103 10.178 11.215 -3.640 1.00 0.00 H new ATOM 1569 N SER A 104 6.784 13.039 -0.484 1.00 0.00 N ATOM 1570 CA SER A 104 6.073 12.989 0.788 1.00 0.00 C ATOM 1571 C SER A 104 6.287 11.645 1.478 1.00 0.00 C ATOM 1572 O SER A 104 6.988 10.774 0.963 1.00 0.00 O ATOM 1573 CB SER A 104 4.578 13.231 0.571 1.00 0.00 C ATOM 1574 OG SER A 104 3.835 12.909 1.734 1.00 0.00 O ATOM 0 H SER A 104 6.281 12.619 -1.265 1.00 0.00 H new ATOM 0 HA SER A 104 6.472 13.775 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.410 14.275 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.227 12.629 -0.267 1.00 0.00 H new ATOM 0 HG SER A 104 2.883 13.074 1.570 1.00 0.00 H new ATOM 1580 N THR A 105 5.677 11.484 2.649 1.00 0.00 N ATOM 1581 CA THR A 105 5.801 10.248 3.411 1.00 0.00 C ATOM 1582 C THR A 105 4.754 9.228 2.979 1.00 0.00 C ATOM 1583 O THR A 105 3.739 9.583 2.380 1.00 0.00 O ATOM 1584 CB THR A 105 5.658 10.505 4.923 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.009 9.325 5.656 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.235 10.918 5.270 1.00 0.00 C ATOM 0 H THR A 105 5.092 12.194 3.090 1.00 0.00 H new ATOM 0 HA THR A 105 6.796 9.850 3.209 1.00 0.00 H new ATOM 0 HB THR A 105 6.332 11.317 5.196 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.917 9.497 6.616 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.159 11.094 6.343 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.980 11.832 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.545 10.124 4.983 1.00 0.00 H new ATOM 1594 N TRP A 106 5.007 7.961 3.287 1.00 0.00 N ATOM 1595 CA TRP A 106 4.085 6.889 2.929 1.00 0.00 C ATOM 1596 C TRP A 106 2.969 6.766 3.960 1.00 0.00 C ATOM 1597 O TRP A 106 3.215 6.820 5.165 1.00 0.00 O ATOM 1598 CB TRP A 106 4.835 5.562 2.810 1.00 0.00 C ATOM 1599 CG TRP A 106 5.979 5.611 1.843 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.255 6.024 2.102 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.950 5.234 0.462 1.00 0.00 C ATOM 1602 NE1 TRP A 106 8.020 5.927 0.965 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.243 5.445 -0.055 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.958 4.739 -0.388 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.567 5.177 -1.382 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.280 4.474 -1.706 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.576 4.692 -2.192 1.00 0.00 C ATOM 0 H TRP A 106 5.842 7.651 3.783 1.00 0.00 H new ATOM 0 HA TRP A 106 3.639 7.133 1.965 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.211 5.276 3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.137 4.785 2.497 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.610 6.375 3.060 1.00 0.00 H new ATOM 0 HE1 TRP A 106 9.007 6.174 0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.957 4.566 -0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.565 5.346 -1.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.520 4.093 -2.372 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.797 4.473 -3.226 1.00 0.00 H new ATOM 1618 N SER A 107 1.741 6.600 3.480 1.00 0.00 N ATOM 1619 CA SER A 107 0.586 6.472 4.361 1.00 0.00 C ATOM 1620 C SER A 107 0.474 5.052 4.908 1.00 0.00 C ATOM 1621 O SER A 107 1.286 4.186 4.585 1.00 0.00 O ATOM 1622 CB SER A 107 -0.696 6.845 3.614 1.00 0.00 C ATOM 1623 OG SER A 107 -1.827 6.752 4.462 1.00 0.00 O ATOM 0 H SER A 107 1.520 6.551 2.485 1.00 0.00 H new ATOM 0 HA SER A 107 0.722 7.156 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.612 7.860 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.826 6.185 2.756 1.00 0.00 H new ATOM 0 HG SER A 107 -2.441 7.491 4.270 1.00 0.00 H new ATOM 1629 N MET A 108 -0.538 4.823 5.738 1.00 0.00 N ATOM 1630 CA MET A 108 -0.757 3.508 6.330 1.00 0.00 C ATOM 1631 C MET A 108 -0.691 2.416 5.267 1.00 0.00 C ATOM 1632 O MET A 108 -1.429 2.448 4.282 1.00 0.00 O ATOM 1633 CB MET A 108 -2.112 3.464 7.039 1.00 0.00 C ATOM 1634 CG MET A 108 -3.257 4.002 6.196 1.00 0.00 C ATOM 1635 SD MET A 108 -4.830 3.203 6.569 1.00 0.00 S ATOM 1636 CE MET A 108 -4.795 1.832 5.417 1.00 0.00 C ATOM 0 H MET A 108 -1.219 5.530 6.016 1.00 0.00 H new ATOM 0 HA MET A 108 0.033 3.329 7.059 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.332 2.434 7.321 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.049 4.041 7.962 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.351 5.075 6.361 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.024 3.861 5.141 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.573 1.968 4.666 1.00 0.00 H new ATOM 0 HE2 MET A 108 -3.822 1.792 4.928 1.00 0.00 H new ATOM 0 HE3 MET A 108 -4.969 0.900 5.955 1.00 0.00 H new ATOM 1646 N THR A 109 0.198 1.449 5.472 1.00 0.00 N ATOM 1647 CA THR A 109 0.362 0.349 4.532 1.00 0.00 C ATOM 1648 C THR A 109 -0.821 -0.611 4.597 1.00 0.00 C ATOM 1649 O THR A 109 -1.385 -0.844 5.665 1.00 0.00 O ATOM 1650 CB THR A 109 1.659 -0.436 4.804 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.774 0.462 4.848 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.891 -1.489 3.731 1.00 0.00 C ATOM 0 H THR A 109 0.816 1.406 6.282 1.00 0.00 H new ATOM 0 HA THR A 109 0.415 0.791 3.537 1.00 0.00 H new ATOM 0 HB THR A 109 1.559 -0.938 5.766 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.595 -0.044 5.023 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.813 -2.030 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.054 -2.188 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.972 -1.005 2.758 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.192 -1.165 3.447 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.306 -2.101 3.374 1.00 0.00 C ATOM 1662 C ALA A 110 -1.825 -3.499 3.001 1.00 0.00 C ATOM 1663 O ALA A 110 -0.727 -3.668 2.470 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.342 -1.613 2.372 1.00 0.00 C ATOM 0 H ALA A 110 -0.737 -0.981 2.553 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.768 -2.155 4.360 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.168 -2.322 2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.717 -0.638 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.884 -1.529 1.387 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.653 -4.500 3.284 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.312 -5.885 2.978 1.00 0.00 C ATOM 1672 C HIS A 111 -3.362 -6.516 2.070 1.00 0.00 C ATOM 1673 O HIS A 111 -4.536 -6.147 2.112 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.181 -6.697 4.267 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.911 -6.433 5.016 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.323 -6.368 4.404 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.689 -6.215 6.333 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.250 -6.123 5.313 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.662 -6.025 6.492 1.00 0.00 N ATOM 0 H HIS A 111 -3.565 -4.378 3.725 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.356 -5.890 2.455 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.028 -6.473 4.915 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.236 -7.758 4.025 1.00 0.00 H new ATOM 0 HD1 HIS A 111 0.493 -6.490 3.406 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.435 -6.194 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.308 -6.020 5.124 1.00 0.00 H new ATOM 1688 N ALA A 112 -2.933 -7.468 1.248 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.837 -8.151 0.331 1.00 0.00 C ATOM 1690 C ALA A 112 -3.178 -9.389 -0.269 1.00 0.00 C ATOM 1691 O ALA A 112 -2.149 -9.295 -0.939 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.285 -7.202 -0.772 1.00 0.00 C ATOM 0 H ALA A 112 -1.964 -7.784 1.198 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.712 -8.475 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.960 -7.725 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -4.802 -6.350 -0.331 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.414 -6.851 -1.326 1.00 0.00 H new ATOM 1698 N THR A 113 -3.778 -10.550 -0.023 1.00 0.00 N ATOM 1699 CA THR A 113 -3.249 -11.807 -0.537 1.00 0.00 C ATOM 1700 C THR A 113 -3.811 -12.115 -1.920 1.00 0.00 C ATOM 1701 O THR A 113 -4.950 -11.765 -2.232 1.00 0.00 O ATOM 1702 CB THR A 113 -3.569 -12.980 0.408 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.532 -12.536 1.769 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.580 -14.118 0.213 1.00 0.00 C ATOM 0 H THR A 113 -4.630 -10.645 0.529 1.00 0.00 H new ATOM 0 HA THR A 113 -2.167 -11.690 -0.605 1.00 0.00 H new ATOM 0 HB THR A 113 -4.569 -13.345 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.738 -13.287 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.827 -14.935 0.891 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.632 -14.473 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.571 -13.763 0.424 1.00 0.00 H new ATOM 1712 N THR A 114 -3.006 -12.774 -2.748 1.00 0.00 N ATOM 1713 CA THR A 114 -3.423 -13.130 -4.098 1.00 0.00 C ATOM 1714 C THR A 114 -4.042 -14.522 -4.134 1.00 0.00 C ATOM 1715 O THR A 114 -3.685 -15.391 -3.338 1.00 0.00 O ATOM 1716 CB THR A 114 -2.239 -13.082 -5.083 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.148 -13.858 -4.575 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.784 -11.649 -5.313 1.00 0.00 C ATOM 0 H THR A 114 -2.061 -13.072 -2.507 1.00 0.00 H new ATOM 0 HA THR A 114 -4.169 -12.396 -4.401 1.00 0.00 H new ATOM 0 HB THR A 114 -2.569 -13.499 -6.034 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.357 -13.717 -5.136 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.947 -11.641 -6.012 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.608 -11.068 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.470 -11.210 -4.366 1.00 0.00 H new ATOM 1726 N TYR A 115 -4.971 -14.728 -5.061 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.642 -16.015 -5.198 1.00 0.00 C ATOM 1728 C TYR A 115 -4.641 -17.119 -5.524 1.00 0.00 C ATOM 1729 O TYR A 115 -3.596 -16.867 -6.122 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.711 -15.942 -6.290 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.778 -14.904 -6.025 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -7.576 -13.571 -6.364 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -8.986 -15.255 -5.436 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -8.548 -12.619 -6.123 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -9.963 -14.310 -5.193 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.739 -12.993 -5.538 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.710 -12.048 -5.297 1.00 0.00 O ATOM 0 H TYR A 115 -5.276 -14.020 -5.729 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.119 -16.251 -4.247 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.230 -15.721 -7.243 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.184 -16.919 -6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.644 -13.275 -6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -9.164 -16.285 -5.163 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -8.376 -11.587 -6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -10.897 -14.600 -4.735 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.343 -11.154 -5.457 1.00 0.00 H new ATOM 1747 N GLU A 116 -4.969 -18.344 -5.125 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.099 -19.487 -5.373 1.00 0.00 C ATOM 1749 C GLU A 116 -4.094 -19.854 -6.855 1.00 0.00 C ATOM 1750 O GLU A 116 -5.091 -20.339 -7.388 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.548 -20.689 -4.540 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.411 -21.618 -4.151 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.902 -22.914 -3.534 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.596 -23.680 -4.235 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.591 -23.162 -2.350 1.00 0.00 O ATOM 0 H GLU A 116 -5.831 -18.570 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.086 -19.211 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.039 -20.330 -3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.291 -21.254 -5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.813 -21.844 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.756 -21.109 -3.444 1.00 0.00 H new ATOM 1762 N ALA A 117 -2.963 -19.619 -7.512 1.00 0.00 N ATOM 1763 CA ALA A 117 -2.827 -19.927 -8.931 1.00 0.00 C ATOM 1764 C ALA A 117 -3.367 -21.318 -9.246 1.00 0.00 C ATOM 1765 O ALA A 117 -4.228 -21.479 -10.110 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.371 -19.815 -9.357 1.00 0.00 C ATOM 0 H ALA A 117 -2.128 -19.217 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.416 -19.202 -9.493 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.284 -20.047 -10.418 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.016 -18.800 -9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.768 -20.517 -8.781 1.00 0.00 H new