USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 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 33 LYS NZ :NH3+ 135:sc= 0.783 (180deg=-0.104) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 66 SER OG : rot 135:sc= 0.444 USER MOD Set 2.1: A 17 TYR OH : rot -73:sc= 1.24 USER MOD Set 2.2: A 74 TYR OH : rot 30:sc= 1.06 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 18 TYR OH : rot 120:sc= 1.03 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.0291 (180deg=-0.191) USER MOD Single : A 26 ASN : amide:sc= -0.178 K(o=-0.18,f=-0.82) USER MOD Single : A 28 THR OG1 : rot -160:sc= 1 USER MOD Single : A 29 GLN : amide:sc= -0.733 K(o=-0.73,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc=-0.000763 (180deg=-0.0781) USER MOD Single : A 36 TYR OH : rot -35:sc= 0.0926 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-2) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc=-0.00689 (180deg=-0.115) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 139:sc= -1.9! (180deg=-3.92!) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= 1.04 (180deg=0.534) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 16 11.288 20.759 -22.393 1.00 0.00 N ATOM 242 CA THR A 16 12.155 21.832 -21.971 1.00 0.00 C ATOM 243 C THR A 16 13.207 21.340 -21.017 1.00 0.00 C ATOM 244 O THR A 16 13.095 20.263 -20.474 1.00 0.00 O ATOM 245 CB THR A 16 11.403 22.987 -21.295 1.00 0.00 C ATOM 246 OG1 THR A 16 10.818 22.552 -20.069 1.00 0.00 O ATOM 247 CG2 THR A 16 10.348 23.521 -22.196 1.00 0.00 C ATOM 0 HA THR A 16 12.613 22.205 -22.887 1.00 0.00 H new ATOM 0 HB THR A 16 12.119 23.781 -21.082 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.344 23.300 -19.649 1.00 0.00 H new ATOM 0 HG21 THR A 16 9.826 24.339 -21.700 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.806 23.887 -23.115 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.638 22.729 -22.435 1.00 0.00 H new ATOM 255 N TYR A 17 14.209 22.162 -20.791 1.00 0.00 N ATOM 256 CA TYR A 17 15.273 21.843 -19.847 1.00 0.00 C ATOM 257 C TYR A 17 14.684 21.711 -18.458 1.00 0.00 C ATOM 258 O TYR A 17 15.115 20.883 -17.669 1.00 0.00 O ATOM 259 CB TYR A 17 16.339 22.941 -19.878 1.00 0.00 C ATOM 260 CG TYR A 17 16.969 23.131 -21.250 1.00 0.00 C ATOM 261 CD1 TYR A 17 18.081 22.399 -21.642 1.00 0.00 C ATOM 262 CD2 TYR A 17 16.434 24.038 -22.156 1.00 0.00 C ATOM 263 CE1 TYR A 17 18.645 22.571 -22.899 1.00 0.00 C ATOM 264 CE2 TYR A 17 16.985 24.212 -23.410 1.00 0.00 C ATOM 265 CZ TYR A 17 18.091 23.479 -23.775 1.00 0.00 C ATOM 266 OH TYR A 17 18.643 23.657 -25.021 1.00 0.00 O ATOM 0 H TYR A 17 14.314 23.067 -21.250 1.00 0.00 H new ATOM 0 HA TYR A 17 15.743 20.899 -20.124 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.891 23.882 -19.558 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.120 22.699 -19.158 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.515 21.684 -20.958 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.569 24.619 -21.874 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.513 21.997 -23.188 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.550 24.919 -24.101 1.00 0.00 H new ATOM 0 HH TYR A 17 19.488 24.146 -24.938 1.00 0.00 H new ATOM 276 N TYR A 18 13.664 22.521 -18.182 1.00 0.00 N ATOM 277 CA TYR A 18 13.006 22.509 -16.920 1.00 0.00 C ATOM 278 C TYR A 18 12.147 21.266 -16.812 1.00 0.00 C ATOM 279 O TYR A 18 12.032 20.669 -15.748 1.00 0.00 O ATOM 280 CB TYR A 18 12.164 23.757 -16.771 1.00 0.00 C ATOM 281 CG TYR A 18 12.960 25.037 -16.576 1.00 0.00 C ATOM 282 CD1 TYR A 18 13.874 25.489 -17.534 1.00 0.00 C ATOM 283 CD2 TYR A 18 12.786 25.799 -15.433 1.00 0.00 C ATOM 284 CE1 TYR A 18 14.580 26.667 -17.342 1.00 0.00 C ATOM 285 CE2 TYR A 18 13.482 26.975 -15.243 1.00 0.00 C ATOM 286 CZ TYR A 18 14.376 27.407 -16.202 1.00 0.00 C ATOM 287 OH TYR A 18 15.069 28.592 -16.016 1.00 0.00 O ATOM 0 H TYR A 18 13.285 23.199 -18.844 1.00 0.00 H new ATOM 0 HA TYR A 18 13.745 22.495 -16.119 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.538 23.865 -17.657 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.494 23.628 -15.921 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.032 24.913 -18.434 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.092 25.466 -14.675 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.288 27.002 -18.086 1.00 0.00 H new ATOM 0 HE2 TYR A 18 13.328 27.556 -14.346 1.00 0.00 H new ATOM 0 HH TYR A 18 14.433 29.333 -15.933 1.00 0.00 H new ATOM 297 N ASP A 19 11.538 20.894 -17.935 1.00 0.00 N ATOM 298 CA ASP A 19 10.708 19.702 -18.021 1.00 0.00 C ATOM 299 C ASP A 19 11.552 18.441 -17.811 1.00 0.00 C ATOM 300 O ASP A 19 11.134 17.509 -17.122 1.00 0.00 O ATOM 301 CB ASP A 19 9.999 19.653 -19.380 1.00 0.00 C ATOM 302 CG ASP A 19 8.861 18.658 -19.390 1.00 0.00 C ATOM 303 OD1 ASP A 19 7.741 19.041 -18.982 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.065 17.509 -19.790 1.00 0.00 O ATOM 0 H ASP A 19 11.608 21.413 -18.810 1.00 0.00 H new ATOM 0 HA ASP A 19 9.956 19.743 -17.233 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.616 20.644 -19.625 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.719 19.389 -20.155 1.00 0.00 H new ATOM 309 N VAL A 20 12.752 18.439 -18.402 1.00 0.00 N ATOM 310 CA VAL A 20 13.712 17.342 -18.247 1.00 0.00 C ATOM 311 C VAL A 20 14.127 17.210 -16.775 1.00 0.00 C ATOM 312 O VAL A 20 14.266 16.113 -16.248 1.00 0.00 O ATOM 313 CB VAL A 20 14.968 17.568 -19.132 1.00 0.00 C ATOM 314 CG1 VAL A 20 15.939 16.423 -19.014 1.00 0.00 C ATOM 315 CG2 VAL A 20 14.567 17.754 -20.569 1.00 0.00 C ATOM 0 H VAL A 20 13.084 19.196 -19.000 1.00 0.00 H new ATOM 0 HA VAL A 20 13.228 16.420 -18.570 1.00 0.00 H new ATOM 0 HB VAL A 20 15.465 18.471 -18.777 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.806 16.614 -19.646 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.261 16.324 -17.977 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.454 15.500 -19.333 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.457 17.911 -21.178 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.041 16.865 -20.918 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.911 18.620 -20.655 1.00 0.00 H new ATOM 325 N LEU A 21 14.303 18.351 -16.127 1.00 0.00 N ATOM 326 CA LEU A 21 14.692 18.404 -14.701 1.00 0.00 C ATOM 327 C LEU A 21 13.480 18.243 -13.795 1.00 0.00 C ATOM 328 O LEU A 21 13.622 18.140 -12.574 1.00 0.00 O ATOM 329 CB LEU A 21 15.433 19.724 -14.363 1.00 0.00 C ATOM 330 CG LEU A 21 16.962 19.748 -14.593 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.697 18.952 -13.526 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.326 19.218 -15.960 1.00 0.00 C ATOM 0 H LEU A 21 14.185 19.267 -16.559 1.00 0.00 H new ATOM 0 HA LEU A 21 15.374 17.572 -14.524 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.988 20.524 -14.956 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.244 19.960 -13.316 1.00 0.00 H new ATOM 0 HG LEU A 21 17.272 20.791 -14.529 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.769 18.990 -13.718 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.489 19.379 -12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.361 17.915 -13.549 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.408 19.250 -16.086 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.980 18.189 -16.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.853 19.832 -16.726 1.00 0.00 H new ATOM 344 N GLY A 22 12.288 18.204 -14.398 1.00 0.00 N ATOM 345 CA GLY A 22 11.073 18.018 -13.633 1.00 0.00 C ATOM 346 C GLY A 22 10.890 19.087 -12.586 1.00 0.00 C ATOM 347 O GLY A 22 10.443 18.803 -11.468 1.00 0.00 O ATOM 0 H GLY A 22 12.149 18.299 -15.404 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.217 18.022 -14.308 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.095 17.040 -13.152 1.00 0.00 H new ATOM 351 N VAL A 23 11.203 20.313 -12.944 1.00 0.00 N ATOM 352 CA VAL A 23 11.196 21.392 -11.994 1.00 0.00 C ATOM 353 C VAL A 23 10.367 22.555 -12.532 1.00 0.00 C ATOM 354 O VAL A 23 10.124 22.648 -13.739 1.00 0.00 O ATOM 355 CB VAL A 23 12.644 21.876 -11.703 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.126 22.868 -12.745 1.00 0.00 C ATOM 357 CG2 VAL A 23 12.761 22.433 -10.297 1.00 0.00 C ATOM 0 H VAL A 23 11.466 20.583 -13.892 1.00 0.00 H new ATOM 0 HA VAL A 23 10.754 21.029 -11.066 1.00 0.00 H new ATOM 0 HB VAL A 23 13.300 21.008 -11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.142 23.182 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.114 22.398 -13.728 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.469 23.738 -12.751 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.784 22.764 -10.121 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.082 23.278 -10.183 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.501 21.658 -9.576 1.00 0.00 H new ATOM 367 N LYS A 24 9.929 23.431 -11.644 1.00 0.00 N ATOM 368 CA LYS A 24 9.140 24.572 -12.046 1.00 0.00 C ATOM 369 C LYS A 24 10.041 25.699 -12.548 1.00 0.00 C ATOM 370 O LYS A 24 11.204 25.800 -12.161 1.00 0.00 O ATOM 371 CB LYS A 24 8.276 25.064 -10.890 1.00 0.00 C ATOM 372 CG LYS A 24 7.181 24.092 -10.475 1.00 0.00 C ATOM 373 CD LYS A 24 6.482 24.548 -9.208 1.00 0.00 C ATOM 374 CE LYS A 24 5.354 23.605 -8.806 1.00 0.00 C ATOM 375 NZ LYS A 24 5.826 22.205 -8.632 1.00 0.00 N ATOM 0 H LYS A 24 10.109 23.370 -10.642 1.00 0.00 H new ATOM 0 HA LYS A 24 8.485 24.261 -12.860 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.916 25.262 -10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.818 26.012 -11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.452 23.998 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.612 23.103 -10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.207 24.612 -8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.081 25.551 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.906 23.954 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.573 23.631 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.071 21.636 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.073 21.804 -9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.664 22.195 -8.017 1.00 0.00 H new ATOM 389 N PRO A 25 9.500 26.570 -13.400 1.00 0.00 N ATOM 390 CA PRO A 25 10.242 27.694 -13.991 1.00 0.00 C ATOM 391 C PRO A 25 10.640 28.747 -12.941 1.00 0.00 C ATOM 392 O PRO A 25 11.430 29.650 -13.214 1.00 0.00 O ATOM 393 CB PRO A 25 9.243 28.299 -14.990 1.00 0.00 C ATOM 394 CG PRO A 25 8.215 27.246 -15.188 1.00 0.00 C ATOM 395 CD PRO A 25 8.126 26.516 -13.884 1.00 0.00 C ATOM 0 HA PRO A 25 11.178 27.367 -14.444 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.800 29.215 -14.600 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.731 28.556 -15.930 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.254 27.683 -15.458 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.497 26.571 -15.996 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.433 26.999 -13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.782 25.490 -14.015 1.00 0.00 H new ATOM 403 N ASN A 26 10.116 28.597 -11.742 1.00 0.00 N ATOM 404 CA ASN A 26 10.355 29.547 -10.680 1.00 0.00 C ATOM 405 C ASN A 26 11.237 28.918 -9.625 1.00 0.00 C ATOM 406 O ASN A 26 11.408 29.458 -8.530 1.00 0.00 O ATOM 407 CB ASN A 26 9.018 30.015 -10.075 1.00 0.00 C ATOM 408 CG ASN A 26 8.216 28.881 -9.445 1.00 0.00 C ATOM 409 OD1 ASN A 26 7.468 28.185 -10.128 1.00 0.00 O ATOM 410 ND2 ASN A 26 8.351 28.705 -8.146 1.00 0.00 N ATOM 0 H ASN A 26 9.515 27.816 -11.479 1.00 0.00 H new ATOM 0 HA ASN A 26 10.866 30.421 -11.084 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.215 30.776 -9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.419 30.486 -10.854 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.824 27.970 -7.673 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.982 29.303 -7.613 1.00 0.00 H new ATOM 417 N ALA A 27 11.798 27.763 -9.963 1.00 0.00 N ATOM 418 CA ALA A 27 12.670 27.048 -9.066 1.00 0.00 C ATOM 419 C ALA A 27 13.962 27.799 -8.840 1.00 0.00 C ATOM 420 O ALA A 27 14.450 28.515 -9.723 1.00 0.00 O ATOM 421 CB ALA A 27 12.937 25.668 -9.605 1.00 0.00 C ATOM 0 H ALA A 27 11.657 27.306 -10.864 1.00 0.00 H new ATOM 0 HA ALA A 27 12.173 26.959 -8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.597 25.132 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.996 25.126 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.412 25.745 -10.583 1.00 0.00 H new ATOM 427 N THR A 28 14.499 27.643 -7.664 1.00 0.00 N ATOM 428 CA THR A 28 15.715 28.301 -7.299 1.00 0.00 C ATOM 429 C THR A 28 16.887 27.548 -7.798 1.00 0.00 C ATOM 430 O THR A 28 16.766 26.395 -8.210 1.00 0.00 O ATOM 431 CB THR A 28 15.831 28.415 -5.786 1.00 0.00 C ATOM 432 OG1 THR A 28 15.986 27.113 -5.215 1.00 0.00 O ATOM 433 CG2 THR A 28 14.589 29.028 -5.246 1.00 0.00 C ATOM 0 H THR A 28 14.103 27.054 -6.931 1.00 0.00 H new ATOM 0 HA THR A 28 15.695 29.295 -7.746 1.00 0.00 H new ATOM 0 HB THR A 28 16.695 29.031 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.746 27.142 -4.265 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.666 29.112 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.455 30.020 -5.678 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.734 28.402 -5.501 1.00 0.00 H new ATOM 441 N GLN A 29 18.016 28.194 -7.768 1.00 0.00 N ATOM 442 CA GLN A 29 19.265 27.555 -8.116 1.00 0.00 C ATOM 443 C GLN A 29 19.468 26.322 -7.228 1.00 0.00 C ATOM 444 O GLN A 29 20.010 25.296 -7.660 1.00 0.00 O ATOM 445 CB GLN A 29 20.417 28.537 -7.942 1.00 0.00 C ATOM 446 CG GLN A 29 21.707 28.099 -8.639 1.00 0.00 C ATOM 447 CD GLN A 29 22.861 29.079 -8.443 1.00 0.00 C ATOM 448 OE1 GLN A 29 22.654 30.265 -8.217 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.082 28.591 -8.561 1.00 0.00 N ATOM 0 H GLN A 29 18.104 29.175 -7.504 1.00 0.00 H new ATOM 0 HA GLN A 29 19.238 27.240 -9.159 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.116 29.510 -8.331 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.615 28.667 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.002 27.120 -8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 29 21.514 27.984 -9.706 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.218 27.598 -8.749 1.00 0.00 H new ATOM 0 HE22 GLN A 29 24.889 29.207 -8.464 1.00 0.00 H new ATOM 458 N GLU A 30 19.017 26.434 -5.981 1.00 0.00 N ATOM 459 CA GLU A 30 19.101 25.354 -5.022 1.00 0.00 C ATOM 460 C GLU A 30 18.139 24.234 -5.420 1.00 0.00 C ATOM 461 O GLU A 30 18.485 23.050 -5.377 1.00 0.00 O ATOM 462 CB GLU A 30 18.741 25.882 -3.633 1.00 0.00 C ATOM 463 CG GLU A 30 18.940 24.875 -2.525 1.00 0.00 C ATOM 464 CD GLU A 30 18.628 25.440 -1.167 1.00 0.00 C ATOM 465 OE1 GLU A 30 17.436 25.480 -0.786 1.00 0.00 O ATOM 466 OE2 GLU A 30 19.581 25.856 -0.471 1.00 0.00 O ATOM 0 H GLU A 30 18.583 27.281 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 30 20.117 24.958 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.346 26.764 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.699 26.203 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.305 24.008 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.972 24.523 -2.540 1.00 0.00 H new ATOM 473 N GLU A 31 16.941 24.631 -5.840 1.00 0.00 N ATOM 474 CA GLU A 31 15.923 23.711 -6.251 1.00 0.00 C ATOM 475 C GLU A 31 16.371 22.951 -7.496 1.00 0.00 C ATOM 476 O GLU A 31 16.072 21.769 -7.657 1.00 0.00 O ATOM 477 CB GLU A 31 14.618 24.470 -6.514 1.00 0.00 C ATOM 478 CG GLU A 31 13.481 23.577 -6.952 1.00 0.00 C ATOM 479 CD GLU A 31 13.038 22.587 -5.867 1.00 0.00 C ATOM 480 OE1 GLU A 31 12.982 22.978 -4.680 1.00 0.00 O ATOM 481 OE2 GLU A 31 12.739 21.412 -6.202 1.00 0.00 O ATOM 0 H GLU A 31 16.662 25.610 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 31 15.750 22.985 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.325 24.999 -5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.794 25.224 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.631 24.196 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.785 23.022 -7.839 1.00 0.00 H new ATOM 488 N LEU A 32 17.103 23.639 -8.364 1.00 0.00 N ATOM 489 CA LEU A 32 17.626 23.035 -9.578 1.00 0.00 C ATOM 490 C LEU A 32 18.573 21.873 -9.274 1.00 0.00 C ATOM 491 O LEU A 32 18.504 20.821 -9.924 1.00 0.00 O ATOM 492 CB LEU A 32 18.305 24.076 -10.440 1.00 0.00 C ATOM 493 CG LEU A 32 17.377 24.918 -11.321 1.00 0.00 C ATOM 494 CD1 LEU A 32 15.907 24.766 -10.922 1.00 0.00 C ATOM 495 CD2 LEU A 32 17.780 26.368 -11.282 1.00 0.00 C ATOM 0 H LEU A 32 17.348 24.622 -8.246 1.00 0.00 H new ATOM 0 HA LEU A 32 16.781 22.625 -10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.867 24.747 -9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.028 23.573 -11.082 1.00 0.00 H new ATOM 0 HG LEU A 32 17.480 24.546 -12.341 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.287 25.381 -11.574 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.610 23.722 -11.019 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.775 25.087 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.109 26.949 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.722 26.734 -10.257 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.802 26.472 -11.647 1.00 0.00 H new ATOM 507 N LYS A 33 19.474 22.058 -8.292 1.00 0.00 N ATOM 508 CA LYS A 33 20.345 20.964 -7.861 1.00 0.00 C ATOM 509 C LYS A 33 19.536 19.837 -7.237 1.00 0.00 C ATOM 510 O LYS A 33 19.813 18.653 -7.451 1.00 0.00 O ATOM 511 CB LYS A 33 21.432 21.425 -6.878 1.00 0.00 C ATOM 512 CG LYS A 33 22.558 22.236 -7.496 1.00 0.00 C ATOM 513 CD LYS A 33 23.632 22.556 -6.458 1.00 0.00 C ATOM 514 CE LYS A 33 24.850 23.221 -7.083 1.00 0.00 C ATOM 515 NZ LYS A 33 24.538 24.546 -7.646 1.00 0.00 N ATOM 0 H LYS A 33 19.612 22.938 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 33 20.844 20.599 -8.759 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.963 22.021 -6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.860 20.546 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.000 21.681 -8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 33 22.160 23.162 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 33 23.214 23.211 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.938 21.637 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.631 23.324 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.248 22.579 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.276 25.224 -7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.499 24.482 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.618 24.869 -7.284 1.00 0.00 H new ATOM 529 N LYS A 34 18.546 20.213 -6.463 1.00 0.00 N ATOM 530 CA LYS A 34 17.700 19.252 -5.780 1.00 0.00 C ATOM 531 C LYS A 34 16.939 18.396 -6.801 1.00 0.00 C ATOM 532 O LYS A 34 16.794 17.183 -6.621 1.00 0.00 O ATOM 533 CB LYS A 34 16.736 19.980 -4.833 1.00 0.00 C ATOM 534 CG LYS A 34 15.898 19.061 -3.965 1.00 0.00 C ATOM 535 CD LYS A 34 15.059 19.862 -2.981 1.00 0.00 C ATOM 536 CE LYS A 34 14.230 18.958 -2.092 1.00 0.00 C ATOM 537 NZ LYS A 34 13.180 18.247 -2.852 1.00 0.00 N ATOM 0 H LYS A 34 18.302 21.187 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 34 18.323 18.586 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 34 17.312 20.644 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.070 20.608 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.247 18.453 -4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.548 18.375 -3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.711 20.481 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.402 20.538 -3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.881 18.231 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.768 19.550 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.542 17.760 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.637 18.931 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.621 17.549 -3.484 1.00 0.00 H new ATOM 551 N ALA A 35 16.478 19.036 -7.874 1.00 0.00 N ATOM 552 CA ALA A 35 15.776 18.337 -8.950 1.00 0.00 C ATOM 553 C ALA A 35 16.684 17.287 -9.553 1.00 0.00 C ATOM 554 O ALA A 35 16.291 16.141 -9.726 1.00 0.00 O ATOM 555 CB ALA A 35 15.323 19.313 -10.040 1.00 0.00 C ATOM 0 H ALA A 35 16.578 20.040 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 35 14.891 17.861 -8.527 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.804 18.765 -10.826 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.649 20.053 -9.608 1.00 0.00 H new ATOM 0 HB3 ALA A 35 16.193 19.817 -10.462 1.00 0.00 H new ATOM 561 N TYR A 36 17.916 17.689 -9.833 1.00 0.00 N ATOM 562 CA TYR A 36 18.906 16.798 -10.415 1.00 0.00 C ATOM 563 C TYR A 36 19.155 15.592 -9.528 1.00 0.00 C ATOM 564 O TYR A 36 19.176 14.467 -10.006 1.00 0.00 O ATOM 565 CB TYR A 36 20.214 17.546 -10.659 1.00 0.00 C ATOM 566 CG TYR A 36 21.367 16.657 -11.105 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.467 16.219 -12.422 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.354 16.257 -10.209 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.512 15.410 -12.834 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.404 15.446 -10.617 1.00 0.00 C ATOM 571 CZ TYR A 36 23.476 15.029 -11.931 1.00 0.00 C ATOM 572 OH TYR A 36 24.516 14.223 -12.343 1.00 0.00 O ATOM 0 H TYR A 36 18.254 18.636 -9.664 1.00 0.00 H new ATOM 0 HA TYR A 36 18.514 16.442 -11.368 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.046 18.311 -11.417 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.501 18.062 -9.743 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.714 16.516 -13.137 1.00 0.00 H new ATOM 0 HD2 TYR A 36 22.302 16.583 -9.181 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.570 15.080 -13.861 1.00 0.00 H new ATOM 0 HE2 TYR A 36 24.161 15.143 -9.909 1.00 0.00 H new ATOM 0 HH TYR A 36 24.192 13.591 -13.018 1.00 0.00 H new ATOM 582 N ARG A 37 19.334 15.835 -8.231 1.00 0.00 N ATOM 583 CA ARG A 37 19.582 14.760 -7.283 1.00 0.00 C ATOM 584 C ARG A 37 18.399 13.787 -7.256 1.00 0.00 C ATOM 585 O ARG A 37 18.586 12.577 -7.215 1.00 0.00 O ATOM 586 CB ARG A 37 19.859 15.314 -5.881 1.00 0.00 C ATOM 587 CG ARG A 37 20.221 14.237 -4.864 1.00 0.00 C ATOM 588 CD ARG A 37 20.432 14.813 -3.474 1.00 0.00 C ATOM 589 NE ARG A 37 21.549 15.757 -3.424 1.00 0.00 N ATOM 590 CZ ARG A 37 21.875 16.475 -2.338 1.00 0.00 C ATOM 591 NH1 ARG A 37 21.199 16.321 -1.196 1.00 0.00 N ATOM 592 NH2 ARG A 37 22.887 17.335 -2.391 1.00 0.00 N ATOM 0 H ARG A 37 19.311 16.767 -7.817 1.00 0.00 H new ATOM 0 HA ARG A 37 20.469 14.218 -7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 37 20.673 16.037 -5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.978 15.852 -5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 37 19.428 13.490 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 37 21.128 13.725 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.521 15.316 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 37 20.615 14.000 -2.771 1.00 0.00 H new ATOM 0 HE ARG A 37 22.114 15.876 -4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.429 15.654 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.453 16.870 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 37 23.415 17.449 -3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 37 23.136 17.881 -1.566 1.00 0.00 H new ATOM 606 N LYS A 38 17.189 14.337 -7.300 1.00 0.00 N ATOM 607 CA LYS A 38 15.955 13.533 -7.300 1.00 0.00 C ATOM 608 C LYS A 38 15.916 12.612 -8.518 1.00 0.00 C ATOM 609 O LYS A 38 15.726 11.382 -8.404 1.00 0.00 O ATOM 610 CB LYS A 38 14.741 14.488 -7.343 1.00 0.00 C ATOM 611 CG LYS A 38 13.381 13.811 -7.389 1.00 0.00 C ATOM 612 CD LYS A 38 12.256 14.844 -7.469 1.00 0.00 C ATOM 613 CE LYS A 38 10.894 14.181 -7.524 1.00 0.00 C ATOM 614 NZ LYS A 38 9.799 15.174 -7.631 1.00 0.00 N ATOM 0 H LYS A 38 17.029 15.344 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 38 15.926 12.920 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.777 15.134 -6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.837 15.132 -8.217 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.331 13.146 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.249 13.192 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.305 15.505 -6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.395 15.466 -8.353 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.854 13.504 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.749 13.576 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.885 14.680 -7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.820 15.805 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.923 15.735 -8.498 1.00 0.00 H new ATOM 628 N LEU A 39 16.135 13.197 -9.674 1.00 0.00 N ATOM 629 CA LEU A 39 16.097 12.463 -10.918 1.00 0.00 C ATOM 630 C LEU A 39 17.232 11.467 -10.970 1.00 0.00 C ATOM 631 O LEU A 39 17.065 10.354 -11.436 1.00 0.00 O ATOM 632 CB LEU A 39 16.188 13.412 -12.083 1.00 0.00 C ATOM 633 CG LEU A 39 15.236 14.574 -12.033 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.424 15.474 -13.231 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.790 14.117 -11.912 1.00 0.00 C ATOM 0 H LEU A 39 16.343 14.190 -9.778 1.00 0.00 H new ATOM 0 HA LEU A 39 15.152 11.923 -10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.206 13.798 -12.139 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.008 12.854 -13.002 1.00 0.00 H new ATOM 0 HG LEU A 39 15.467 15.148 -11.136 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.724 16.308 -13.173 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.445 15.857 -13.242 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.239 14.908 -14.144 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.135 14.988 -11.879 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.530 13.500 -12.772 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.667 13.536 -10.998 1.00 0.00 H new ATOM 647 N ALA A 40 18.380 11.888 -10.467 1.00 0.00 N ATOM 648 CA ALA A 40 19.574 11.054 -10.434 1.00 0.00 C ATOM 649 C ALA A 40 19.329 9.768 -9.675 1.00 0.00 C ATOM 650 O ALA A 40 19.843 8.717 -10.034 1.00 0.00 O ATOM 651 CB ALA A 40 20.759 11.821 -9.831 1.00 0.00 C ATOM 0 H ALA A 40 18.513 12.818 -10.069 1.00 0.00 H new ATOM 0 HA ALA A 40 19.821 10.792 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.639 11.178 -9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.965 12.705 -10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.515 12.125 -8.813 1.00 0.00 H new ATOM 657 N LEU A 41 18.552 9.859 -8.623 1.00 0.00 N ATOM 658 CA LEU A 41 18.233 8.713 -7.828 1.00 0.00 C ATOM 659 C LEU A 41 17.426 7.708 -8.643 1.00 0.00 C ATOM 660 O LEU A 41 17.646 6.498 -8.553 1.00 0.00 O ATOM 661 CB LEU A 41 17.449 9.147 -6.599 1.00 0.00 C ATOM 662 CG LEU A 41 18.179 10.108 -5.664 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.314 10.441 -4.465 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.508 9.526 -5.219 1.00 0.00 C ATOM 0 H LEU A 41 18.128 10.729 -8.300 1.00 0.00 H new ATOM 0 HA LEU A 41 19.158 8.232 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.523 9.619 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.170 8.258 -6.034 1.00 0.00 H new ATOM 0 HG LEU A 41 18.380 11.029 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.850 11.127 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.389 10.909 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 41 17.080 9.526 -3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 41 20.009 10.229 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.336 8.588 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.135 9.342 -6.091 1.00 0.00 H new ATOM 676 N LYS A 42 16.474 8.217 -9.422 1.00 0.00 N ATOM 677 CA LYS A 42 15.630 7.380 -10.245 1.00 0.00 C ATOM 678 C LYS A 42 16.313 6.890 -11.524 1.00 0.00 C ATOM 679 O LYS A 42 16.333 5.694 -11.804 1.00 0.00 O ATOM 680 CB LYS A 42 14.374 8.129 -10.609 1.00 0.00 C ATOM 681 CG LYS A 42 13.398 8.277 -9.473 1.00 0.00 C ATOM 682 CD LYS A 42 12.820 6.924 -9.059 1.00 0.00 C ATOM 683 CE LYS A 42 11.797 7.076 -7.945 1.00 0.00 C ATOM 684 NZ LYS A 42 11.191 5.779 -7.560 1.00 0.00 N ATOM 0 H LYS A 42 16.274 9.214 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 42 15.400 6.496 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.647 9.120 -10.972 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.881 7.613 -11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.896 8.739 -8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.589 8.945 -9.770 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.354 6.447 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.625 6.268 -8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.275 7.525 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.012 7.761 -8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.500 5.931 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.712 5.362 -8.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.935 5.133 -7.228 1.00 0.00 H new ATOM 698 N TYR A 43 16.888 7.815 -12.273 1.00 0.00 N ATOM 699 CA TYR A 43 17.419 7.506 -13.598 1.00 0.00 C ATOM 700 C TYR A 43 18.937 7.414 -13.627 1.00 0.00 C ATOM 701 O TYR A 43 19.549 7.687 -14.659 1.00 0.00 O ATOM 702 CB TYR A 43 16.936 8.528 -14.649 1.00 0.00 C ATOM 703 CG TYR A 43 15.436 8.610 -14.769 1.00 0.00 C ATOM 704 CD1 TYR A 43 14.680 7.473 -15.008 1.00 0.00 C ATOM 705 CD2 TYR A 43 14.777 9.822 -14.640 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.301 7.536 -15.118 1.00 0.00 C ATOM 707 CE2 TYR A 43 13.406 9.899 -14.748 1.00 0.00 C ATOM 708 CZ TYR A 43 12.668 8.751 -14.986 1.00 0.00 C ATOM 709 OH TYR A 43 11.296 8.828 -15.097 1.00 0.00 O ATOM 0 H TYR A 43 17.001 8.788 -11.990 1.00 0.00 H new ATOM 0 HA TYR A 43 17.029 6.520 -13.849 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.325 9.513 -14.391 1.00 0.00 H new ATOM 0 HB3 TYR A 43 17.355 8.264 -15.620 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.176 6.519 -15.110 1.00 0.00 H new ATOM 0 HD2 TYR A 43 15.347 10.720 -14.452 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.728 6.640 -15.306 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.908 10.852 -14.647 1.00 0.00 H new ATOM 0 HH TYR A 43 11.010 9.758 -14.977 1.00 0.00 H new ATOM 719 N HIS A 44 19.543 7.034 -12.502 1.00 0.00 N ATOM 720 CA HIS A 44 21.005 6.867 -12.432 1.00 0.00 C ATOM 721 C HIS A 44 21.480 5.937 -13.567 1.00 0.00 C ATOM 722 O HIS A 44 21.053 4.788 -13.642 1.00 0.00 O ATOM 723 CB HIS A 44 21.405 6.280 -11.072 1.00 0.00 C ATOM 724 CG HIS A 44 22.866 6.400 -10.752 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.576 7.576 -10.891 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.748 5.492 -10.282 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.827 7.382 -10.521 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.956 6.123 -10.146 1.00 0.00 N ATOM 0 H HIS A 44 19.053 6.836 -11.629 1.00 0.00 H new ATOM 0 HA HIS A 44 21.479 7.842 -12.547 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.832 6.780 -10.291 1.00 0.00 H new ATOM 0 HB3 HIS A 44 21.125 5.227 -11.048 1.00 0.00 H new ATOM 0 HD2 HIS A 44 23.539 4.457 -10.055 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.611 8.125 -10.524 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.816 5.690 -9.809 1.00 0.00 H new ATOM 736 N PRO A 45 22.375 6.425 -14.456 1.00 0.00 N ATOM 737 CA PRO A 45 22.862 5.653 -15.632 1.00 0.00 C ATOM 738 C PRO A 45 23.556 4.354 -15.241 1.00 0.00 C ATOM 739 O PRO A 45 23.497 3.363 -15.959 1.00 0.00 O ATOM 740 CB PRO A 45 23.859 6.604 -16.287 1.00 0.00 C ATOM 741 CG PRO A 45 24.213 7.579 -15.218 1.00 0.00 C ATOM 742 CD PRO A 45 22.979 7.758 -14.402 1.00 0.00 C ATOM 0 HA PRO A 45 22.040 5.349 -16.281 1.00 0.00 H new ATOM 0 HB2 PRO A 45 24.740 6.070 -16.643 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.420 7.105 -17.150 1.00 0.00 H new ATOM 0 HG2 PRO A 45 25.035 7.207 -14.606 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.539 8.527 -15.646 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.207 8.060 -13.380 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.321 8.520 -14.820 1.00 0.00 H new ATOM 750 N ASP A 46 24.211 4.370 -14.102 1.00 0.00 N ATOM 751 CA ASP A 46 24.901 3.192 -13.591 1.00 0.00 C ATOM 752 C ASP A 46 23.908 2.173 -13.026 1.00 0.00 C ATOM 753 O ASP A 46 24.270 1.031 -12.724 1.00 0.00 O ATOM 754 CB ASP A 46 25.909 3.593 -12.520 1.00 0.00 C ATOM 755 CG ASP A 46 27.072 4.403 -13.069 1.00 0.00 C ATOM 756 OD1 ASP A 46 26.931 5.642 -13.220 1.00 0.00 O ATOM 757 OD2 ASP A 46 28.131 3.800 -13.359 1.00 0.00 O ATOM 0 H ASP A 46 24.284 5.191 -13.502 1.00 0.00 H new ATOM 0 HA ASP A 46 25.431 2.725 -14.421 1.00 0.00 H new ATOM 0 HB2 ASP A 46 25.401 4.174 -11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 46 26.295 2.695 -12.038 1.00 0.00 H new ATOM 762 N LYS A 47 22.664 2.589 -12.882 1.00 0.00 N ATOM 763 CA LYS A 47 21.619 1.725 -12.352 1.00 0.00 C ATOM 764 C LYS A 47 20.683 1.308 -13.492 1.00 0.00 C ATOM 765 O LYS A 47 20.301 0.138 -13.617 1.00 0.00 O ATOM 766 CB LYS A 47 20.837 2.471 -11.256 1.00 0.00 C ATOM 767 CG LYS A 47 19.981 1.581 -10.381 1.00 0.00 C ATOM 768 CD LYS A 47 19.299 2.387 -9.288 1.00 0.00 C ATOM 769 CE LYS A 47 18.456 1.504 -8.375 1.00 0.00 C ATOM 770 NZ LYS A 47 19.300 0.566 -7.584 1.00 0.00 N ATOM 0 H LYS A 47 22.348 3.528 -13.126 1.00 0.00 H new ATOM 0 HA LYS A 47 22.063 0.832 -11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.544 3.008 -10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.199 3.218 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.230 1.079 -10.991 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.599 0.803 -9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.052 2.907 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.666 3.150 -9.741 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.875 2.130 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.744 0.936 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.714 0.091 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.717 -0.145 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.060 1.097 -7.112 1.00 0.00 H new ATOM 784 N ASN A 48 20.337 2.282 -14.329 1.00 0.00 N ATOM 785 CA ASN A 48 19.472 2.065 -15.476 1.00 0.00 C ATOM 786 C ASN A 48 20.121 2.628 -16.730 1.00 0.00 C ATOM 787 O ASN A 48 20.042 3.822 -17.005 1.00 0.00 O ATOM 788 CB ASN A 48 18.121 2.733 -15.286 1.00 0.00 C ATOM 789 CG ASN A 48 17.350 2.230 -14.085 1.00 0.00 C ATOM 790 OD1 ASN A 48 16.655 1.219 -14.159 1.00 0.00 O ATOM 791 ND2 ASN A 48 17.449 2.941 -12.974 1.00 0.00 N ATOM 0 H ASN A 48 20.652 3.247 -14.227 1.00 0.00 H new ATOM 0 HA ASN A 48 19.323 0.990 -15.576 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.270 3.808 -15.185 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.520 2.577 -16.182 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.938 2.656 -12.139 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.037 3.774 -12.953 1.00 0.00 H new ATOM 798 N PRO A 49 20.799 1.779 -17.477 1.00 0.00 N ATOM 799 CA PRO A 49 21.471 2.148 -18.708 1.00 0.00 C ATOM 800 C PRO A 49 20.488 2.597 -19.803 1.00 0.00 C ATOM 801 O PRO A 49 20.811 3.448 -20.642 1.00 0.00 O ATOM 802 CB PRO A 49 22.166 0.854 -19.107 1.00 0.00 C ATOM 803 CG PRO A 49 21.368 -0.190 -18.464 1.00 0.00 C ATOM 804 CD PRO A 49 20.969 0.380 -17.178 1.00 0.00 C ATOM 0 HA PRO A 49 22.144 2.995 -18.578 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.187 0.730 -20.190 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.200 0.834 -18.763 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.499 -0.451 -19.067 1.00 0.00 H new ATOM 0 HG3 PRO A 49 21.947 -1.103 -18.329 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.047 -0.068 -16.808 1.00 0.00 H new ATOM 0 HD3 PRO A 49 21.730 0.221 -16.414 1.00 0.00 H new ATOM 812 N ASN A 50 19.285 2.028 -19.776 1.00 0.00 N ATOM 813 CA ASN A 50 18.248 2.370 -20.750 1.00 0.00 C ATOM 814 C ASN A 50 17.810 3.822 -20.575 1.00 0.00 C ATOM 815 O ASN A 50 17.518 4.526 -21.551 1.00 0.00 O ATOM 816 CB ASN A 50 17.040 1.411 -20.642 1.00 0.00 C ATOM 817 CG ASN A 50 15.915 1.762 -21.623 1.00 0.00 C ATOM 818 OD1 ASN A 50 15.007 2.542 -21.309 1.00 0.00 O ATOM 819 ND2 ASN A 50 15.955 1.176 -22.805 1.00 0.00 N ATOM 0 H ASN A 50 19.003 1.328 -19.090 1.00 0.00 H new ATOM 0 HA ASN A 50 18.670 2.256 -21.748 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.374 0.390 -20.829 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.650 1.438 -19.624 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.223 1.361 -23.491 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.718 0.538 -23.032 1.00 0.00 H new ATOM 826 N GLU A 51 17.801 4.271 -19.328 1.00 0.00 N ATOM 827 CA GLU A 51 17.375 5.621 -18.984 1.00 0.00 C ATOM 828 C GLU A 51 18.542 6.615 -19.036 1.00 0.00 C ATOM 829 O GLU A 51 18.353 7.821 -18.848 1.00 0.00 O ATOM 830 CB GLU A 51 16.736 5.644 -17.580 1.00 0.00 C ATOM 831 CG GLU A 51 15.345 5.004 -17.490 1.00 0.00 C ATOM 832 CD GLU A 51 15.307 3.514 -17.823 1.00 0.00 C ATOM 833 OE1 GLU A 51 16.304 2.813 -17.591 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.250 3.045 -18.295 1.00 0.00 O ATOM 0 H GLU A 51 18.089 3.710 -18.526 1.00 0.00 H new ATOM 0 HA GLU A 51 16.636 5.926 -19.724 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.401 5.130 -16.886 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.665 6.679 -17.246 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.958 5.147 -16.481 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.673 5.531 -18.167 1.00 0.00 H new ATOM 841 N GLY A 52 19.734 6.113 -19.309 1.00 0.00 N ATOM 842 CA GLY A 52 20.909 6.967 -19.364 1.00 0.00 C ATOM 843 C GLY A 52 20.831 8.012 -20.463 1.00 0.00 C ATOM 844 O GLY A 52 21.355 9.114 -20.308 1.00 0.00 O ATOM 0 H GLY A 52 19.914 5.126 -19.495 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.034 7.467 -18.403 1.00 0.00 H new ATOM 0 HA3 GLY A 52 21.794 6.349 -19.519 1.00 0.00 H new ATOM 848 N GLU A 53 20.178 7.669 -21.575 1.00 0.00 N ATOM 849 CA GLU A 53 20.004 8.621 -22.671 1.00 0.00 C ATOM 850 C GLU A 53 19.160 9.806 -22.194 1.00 0.00 C ATOM 851 O GLU A 53 19.383 10.952 -22.582 1.00 0.00 O ATOM 852 CB GLU A 53 19.362 7.940 -23.891 1.00 0.00 C ATOM 853 CG GLU A 53 19.146 8.874 -25.074 1.00 0.00 C ATOM 854 CD GLU A 53 18.681 8.153 -26.318 1.00 0.00 C ATOM 855 OE1 GLU A 53 17.489 7.800 -26.396 1.00 0.00 O ATOM 856 OE2 GLU A 53 19.512 7.946 -27.229 1.00 0.00 O ATOM 0 H GLU A 53 19.766 6.750 -21.739 1.00 0.00 H new ATOM 0 HA GLU A 53 20.982 8.989 -22.979 1.00 0.00 H new ATOM 0 HB2 GLU A 53 19.994 7.110 -24.206 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.403 7.516 -23.595 1.00 0.00 H new ATOM 0 HG2 GLU A 53 18.410 9.631 -24.803 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.077 9.398 -25.291 1.00 0.00 H new ATOM 863 N LYS A 54 18.198 9.505 -21.346 1.00 0.00 N ATOM 864 CA LYS A 54 17.365 10.502 -20.729 1.00 0.00 C ATOM 865 C LYS A 54 18.193 11.352 -19.767 1.00 0.00 C ATOM 866 O LYS A 54 18.037 12.575 -19.675 1.00 0.00 O ATOM 867 CB LYS A 54 16.198 9.833 -20.013 1.00 0.00 C ATOM 868 CG LYS A 54 15.174 9.202 -20.965 1.00 0.00 C ATOM 869 CD LYS A 54 14.014 8.612 -20.202 1.00 0.00 C ATOM 870 CE LYS A 54 13.013 7.944 -21.137 1.00 0.00 C ATOM 871 NZ LYS A 54 11.848 7.375 -20.406 1.00 0.00 N ATOM 0 H LYS A 54 17.975 8.550 -21.067 1.00 0.00 H new ATOM 0 HA LYS A 54 16.958 11.161 -21.496 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.585 9.062 -19.347 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.695 10.571 -19.388 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.809 9.956 -21.662 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.656 8.425 -21.559 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.384 7.882 -19.482 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.515 9.396 -19.633 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.660 8.672 -21.867 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.512 7.151 -21.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.196 6.932 -21.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.180 6.661 -19.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.354 8.135 -19.896 1.00 0.00 H new ATOM 885 N PHE A 55 19.094 10.684 -19.069 1.00 0.00 N ATOM 886 CA PHE A 55 19.961 11.320 -18.098 1.00 0.00 C ATOM 887 C PHE A 55 20.926 12.306 -18.778 1.00 0.00 C ATOM 888 O PHE A 55 21.339 13.295 -18.176 1.00 0.00 O ATOM 889 CB PHE A 55 20.742 10.263 -17.318 1.00 0.00 C ATOM 890 CG PHE A 55 21.397 10.796 -16.072 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.647 11.034 -14.931 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.758 11.059 -16.042 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.238 11.525 -13.785 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.358 11.552 -14.895 1.00 0.00 C ATOM 895 CZ PHE A 55 22.595 11.786 -13.766 1.00 0.00 C ATOM 0 H PHE A 55 19.244 9.679 -19.162 1.00 0.00 H new ATOM 0 HA PHE A 55 19.338 11.885 -17.404 1.00 0.00 H new ATOM 0 HB2 PHE A 55 20.067 9.452 -17.045 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.507 9.836 -17.967 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.586 10.832 -14.939 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.357 10.878 -16.922 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.641 11.705 -12.903 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.419 11.753 -14.883 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.059 12.172 -12.870 1.00 0.00 H new ATOM 905 N LYS A 56 21.268 12.026 -20.023 1.00 0.00 N ATOM 906 CA LYS A 56 22.132 12.903 -20.816 1.00 0.00 C ATOM 907 C LYS A 56 21.513 14.297 -20.909 1.00 0.00 C ATOM 908 O LYS A 56 22.196 15.321 -20.747 1.00 0.00 O ATOM 909 CB LYS A 56 22.302 12.290 -22.212 1.00 0.00 C ATOM 910 CG LYS A 56 23.134 13.111 -23.175 1.00 0.00 C ATOM 911 CD LYS A 56 23.273 12.414 -24.521 1.00 0.00 C ATOM 912 CE LYS A 56 24.070 13.264 -25.497 1.00 0.00 C ATOM 913 NZ LYS A 56 24.223 12.587 -26.807 1.00 0.00 N ATOM 0 H LYS A 56 20.959 11.189 -20.518 1.00 0.00 H new ATOM 0 HA LYS A 56 23.109 12.998 -20.342 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.760 11.306 -22.107 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.315 12.137 -22.648 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.672 14.088 -23.315 1.00 0.00 H new ATOM 0 HG3 LYS A 56 24.122 13.284 -22.749 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.765 11.451 -24.386 1.00 0.00 H new ATOM 0 HD3 LYS A 56 22.284 12.212 -24.933 1.00 0.00 H new ATOM 0 HE2 LYS A 56 23.571 14.223 -25.638 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.054 13.475 -25.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.771 13.194 -27.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 24.721 11.684 -26.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.284 12.408 -27.217 1.00 0.00 H new ATOM 927 N GLN A 57 20.215 14.314 -21.144 1.00 0.00 N ATOM 928 CA GLN A 57 19.430 15.517 -21.210 1.00 0.00 C ATOM 929 C GLN A 57 19.513 16.267 -19.896 1.00 0.00 C ATOM 930 O GLN A 57 19.754 17.488 -19.859 1.00 0.00 O ATOM 931 CB GLN A 57 18.000 15.100 -21.451 1.00 0.00 C ATOM 932 CG GLN A 57 17.798 14.475 -22.800 1.00 0.00 C ATOM 933 CD GLN A 57 16.412 13.936 -23.022 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.431 14.469 -22.514 1.00 0.00 O ATOM 935 NE2 GLN A 57 16.319 12.878 -23.795 1.00 0.00 N ATOM 0 H GLN A 57 19.670 13.466 -21.297 1.00 0.00 H new ATOM 0 HA GLN A 57 19.796 16.168 -22.004 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.697 14.393 -20.679 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.351 15.971 -21.358 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.016 15.216 -23.569 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.516 13.665 -22.925 1.00 0.00 H new ATOM 0 HE21 GLN A 57 17.160 12.465 -24.198 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.406 12.469 -23.992 1.00 0.00 H new ATOM 944 N ILE A 58 19.339 15.520 -18.818 1.00 0.00 N ATOM 945 CA ILE A 58 19.367 16.072 -17.487 1.00 0.00 C ATOM 946 C ILE A 58 20.729 16.670 -17.169 1.00 0.00 C ATOM 947 O ILE A 58 20.812 17.780 -16.658 1.00 0.00 O ATOM 948 CB ILE A 58 19.027 14.988 -16.429 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.582 14.540 -16.569 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.266 15.516 -15.036 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.213 13.334 -15.717 1.00 0.00 C ATOM 0 H ILE A 58 19.175 14.514 -18.848 1.00 0.00 H new ATOM 0 HA ILE A 58 18.615 16.860 -17.449 1.00 0.00 H new ATOM 0 HB ILE A 58 19.679 14.131 -16.599 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.929 15.371 -16.303 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.387 14.304 -17.615 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.023 14.743 -14.307 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.313 15.799 -14.929 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.635 16.388 -14.864 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.165 13.082 -15.878 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.837 12.486 -15.997 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.372 13.570 -14.665 1.00 0.00 H new ATOM 963 N SER A 59 21.787 15.950 -17.527 1.00 0.00 N ATOM 964 CA SER A 59 23.150 16.351 -17.210 1.00 0.00 C ATOM 965 C SER A 59 23.510 17.736 -17.806 1.00 0.00 C ATOM 966 O SER A 59 24.134 18.561 -17.134 1.00 0.00 O ATOM 967 CB SER A 59 24.136 15.279 -17.708 1.00 0.00 C ATOM 968 OG SER A 59 25.484 15.576 -17.350 1.00 0.00 O ATOM 0 H SER A 59 21.722 15.073 -18.044 1.00 0.00 H new ATOM 0 HA SER A 59 23.224 16.443 -16.126 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.857 14.311 -17.293 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.060 15.194 -18.792 1.00 0.00 H new ATOM 0 HG SER A 59 26.075 14.869 -17.685 1.00 0.00 H new ATOM 974 N GLN A 60 23.123 17.980 -19.061 1.00 0.00 N ATOM 975 CA GLN A 60 23.415 19.230 -19.719 1.00 0.00 C ATOM 976 C GLN A 60 22.566 20.371 -19.165 1.00 0.00 C ATOM 977 O GLN A 60 23.087 21.446 -18.837 1.00 0.00 O ATOM 978 CB GLN A 60 23.195 19.063 -21.190 1.00 0.00 C ATOM 979 CG GLN A 60 24.143 18.056 -21.827 1.00 0.00 C ATOM 980 CD GLN A 60 23.937 17.893 -23.312 1.00 0.00 C ATOM 981 OE1 GLN A 60 23.454 18.797 -23.990 1.00 0.00 O ATOM 982 NE2 GLN A 60 24.317 16.746 -23.833 1.00 0.00 N ATOM 0 H GLN A 60 22.604 17.315 -19.634 1.00 0.00 H new ATOM 0 HA GLN A 60 24.455 19.495 -19.531 1.00 0.00 H new ATOM 0 HB2 GLN A 60 22.167 18.745 -21.363 1.00 0.00 H new ATOM 0 HB3 GLN A 60 23.317 20.028 -21.681 1.00 0.00 H new ATOM 0 HG2 GLN A 60 25.171 18.369 -21.643 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.013 17.089 -21.342 1.00 0.00 H new ATOM 0 HE21 GLN A 60 24.714 16.021 -23.235 1.00 0.00 H new ATOM 0 HE22 GLN A 60 24.215 16.582 -24.835 1.00 0.00 H new ATOM 991 N ALA A 61 21.265 20.136 -19.048 1.00 0.00 N ATOM 992 CA ALA A 61 20.359 21.147 -18.481 1.00 0.00 C ATOM 993 C ALA A 61 20.787 21.494 -17.064 1.00 0.00 C ATOM 994 O ALA A 61 20.844 22.650 -16.699 1.00 0.00 O ATOM 995 CB ALA A 61 18.913 20.659 -18.511 1.00 0.00 C ATOM 0 H ALA A 61 20.811 19.268 -19.332 1.00 0.00 H new ATOM 0 HA ALA A 61 20.417 22.048 -19.091 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.262 21.423 -18.087 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.617 20.461 -19.541 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.826 19.743 -17.926 1.00 0.00 H new ATOM 1001 N TYR A 62 21.108 20.480 -16.291 1.00 0.00 N ATOM 1002 CA TYR A 62 21.620 20.661 -14.955 1.00 0.00 C ATOM 1003 C TYR A 62 22.896 21.497 -14.955 1.00 0.00 C ATOM 1004 O TYR A 62 23.088 22.332 -14.081 1.00 0.00 O ATOM 1005 CB TYR A 62 21.891 19.315 -14.285 1.00 0.00 C ATOM 1006 CG TYR A 62 22.652 19.442 -12.980 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.074 20.033 -11.864 1.00 0.00 C ATOM 1008 CD2 TYR A 62 23.962 18.985 -12.872 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.779 20.162 -10.683 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.664 19.104 -11.693 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.067 19.694 -10.600 1.00 0.00 C ATOM 1012 OH TYR A 62 24.772 19.824 -9.422 1.00 0.00 O ATOM 0 H TYR A 62 21.020 19.504 -16.574 1.00 0.00 H new ATOM 0 HA TYR A 62 20.855 21.193 -14.389 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.942 18.812 -14.098 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.458 18.683 -14.969 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.059 20.397 -11.920 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.437 18.529 -13.728 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.318 20.630 -9.826 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.677 18.737 -11.625 1.00 0.00 H new ATOM 0 HH TYR A 62 25.667 19.440 -9.532 1.00 0.00 H new ATOM 1022 N GLU A 63 23.762 21.264 -15.930 1.00 0.00 N ATOM 1023 CA GLU A 63 25.035 21.965 -15.997 1.00 0.00 C ATOM 1024 C GLU A 63 24.836 23.478 -15.958 1.00 0.00 C ATOM 1025 O GLU A 63 25.517 24.185 -15.210 1.00 0.00 O ATOM 1026 CB GLU A 63 25.812 21.547 -17.240 1.00 0.00 C ATOM 1027 CG GLU A 63 27.226 22.112 -17.317 1.00 0.00 C ATOM 1028 CD GLU A 63 27.979 21.652 -18.544 1.00 0.00 C ATOM 1029 OE1 GLU A 63 28.269 20.440 -18.656 1.00 0.00 O ATOM 1030 OE2 GLU A 63 28.280 22.500 -19.399 1.00 0.00 O ATOM 0 H GLU A 63 23.607 20.596 -16.685 1.00 0.00 H new ATOM 0 HA GLU A 63 25.620 21.688 -15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.866 20.459 -17.271 1.00 0.00 H new ATOM 0 HB3 GLU A 63 25.258 21.864 -18.124 1.00 0.00 H new ATOM 0 HG2 GLU A 63 27.177 23.201 -17.314 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.779 21.816 -16.426 1.00 0.00 H new ATOM 1037 N VAL A 64 23.908 23.966 -16.754 1.00 0.00 N ATOM 1038 CA VAL A 64 23.571 25.378 -16.766 1.00 0.00 C ATOM 1039 C VAL A 64 22.586 25.762 -15.629 1.00 0.00 C ATOM 1040 O VAL A 64 22.749 26.783 -14.992 1.00 0.00 O ATOM 1041 CB VAL A 64 23.048 25.796 -18.168 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.647 24.584 -18.968 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.893 26.747 -18.067 1.00 0.00 C ATOM 0 H VAL A 64 23.367 23.400 -17.408 1.00 0.00 H new ATOM 0 HA VAL A 64 24.483 25.941 -16.566 1.00 0.00 H new ATOM 0 HB VAL A 64 23.863 26.308 -18.679 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.284 24.898 -19.947 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.510 23.930 -19.094 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.857 24.046 -18.443 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.555 27.016 -19.068 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.076 26.271 -17.524 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.207 27.646 -17.536 1.00 0.00 H new ATOM 1053 N LEU A 65 21.599 24.917 -15.368 1.00 0.00 N ATOM 1054 CA LEU A 65 20.583 25.183 -14.334 1.00 0.00 C ATOM 1055 C LEU A 65 21.181 25.237 -12.928 1.00 0.00 C ATOM 1056 O LEU A 65 20.692 25.960 -12.068 1.00 0.00 O ATOM 1057 CB LEU A 65 19.421 24.181 -14.427 1.00 0.00 C ATOM 1058 CG LEU A 65 18.237 24.585 -15.363 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.697 24.928 -16.780 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.196 23.482 -15.412 1.00 0.00 C ATOM 0 H LEU A 65 21.471 24.031 -15.857 1.00 0.00 H new ATOM 0 HA LEU A 65 20.179 26.176 -14.530 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.819 23.226 -14.770 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.026 24.020 -13.424 1.00 0.00 H new ATOM 0 HG LEU A 65 17.796 25.486 -14.937 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.834 25.201 -17.387 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.394 25.765 -16.744 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.191 24.063 -17.222 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.379 23.781 -16.069 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.652 22.568 -15.793 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.808 23.303 -14.409 1.00 0.00 H new ATOM 1072 N SER A 66 22.255 24.495 -12.709 1.00 0.00 N ATOM 1073 CA SER A 66 22.918 24.454 -11.409 1.00 0.00 C ATOM 1074 C SER A 66 23.575 25.802 -11.087 1.00 0.00 C ATOM 1075 O SER A 66 23.931 26.082 -9.933 1.00 0.00 O ATOM 1076 CB SER A 66 23.985 23.343 -11.418 1.00 0.00 C ATOM 1077 OG SER A 66 24.596 23.178 -10.157 1.00 0.00 O ATOM 0 H SER A 66 22.691 23.907 -13.419 1.00 0.00 H new ATOM 0 HA SER A 66 22.172 24.246 -10.642 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.525 22.403 -11.722 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.747 23.580 -12.160 1.00 0.00 H new ATOM 0 HG SER A 66 24.652 22.223 -9.943 1.00 0.00 H new ATOM 1083 N ASP A 67 23.712 26.637 -12.106 1.00 0.00 N ATOM 1084 CA ASP A 67 24.359 27.931 -11.967 1.00 0.00 C ATOM 1085 C ASP A 67 23.485 29.041 -12.542 1.00 0.00 C ATOM 1086 O ASP A 67 23.212 29.075 -13.736 1.00 0.00 O ATOM 1087 CB ASP A 67 25.733 27.917 -12.648 1.00 0.00 C ATOM 1088 CG ASP A 67 26.375 29.287 -12.675 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.350 29.998 -11.639 1.00 0.00 O ATOM 1090 OD2 ASP A 67 26.922 29.657 -13.724 1.00 0.00 O ATOM 0 H ASP A 67 23.379 26.437 -13.049 1.00 0.00 H new ATOM 0 HA ASP A 67 24.501 28.130 -10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.389 27.221 -12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.627 27.548 -13.668 1.00 0.00 H new ATOM 1095 N ALA A 68 23.057 29.950 -11.677 1.00 0.00 N ATOM 1096 CA ALA A 68 22.215 31.077 -12.079 1.00 0.00 C ATOM 1097 C ALA A 68 22.861 31.888 -13.205 1.00 0.00 C ATOM 1098 O ALA A 68 22.166 32.501 -14.006 1.00 0.00 O ATOM 1099 CB ALA A 68 21.920 31.976 -10.888 1.00 0.00 C ATOM 0 H ALA A 68 23.280 29.931 -10.682 1.00 0.00 H new ATOM 0 HA ALA A 68 21.277 30.668 -12.455 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.293 32.808 -11.207 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.400 31.403 -10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 68 22.855 32.361 -10.482 1.00 0.00 H new ATOM 1105 N LYS A 69 24.198 31.870 -13.260 1.00 0.00 N ATOM 1106 CA LYS A 69 24.939 32.602 -14.278 1.00 0.00 C ATOM 1107 C LYS A 69 24.654 32.023 -15.646 1.00 0.00 C ATOM 1108 O LYS A 69 24.143 32.716 -16.525 1.00 0.00 O ATOM 1109 CB LYS A 69 26.440 32.510 -14.003 1.00 0.00 C ATOM 1110 CG LYS A 69 27.316 33.204 -15.039 1.00 0.00 C ATOM 1111 CD LYS A 69 28.786 32.874 -14.817 1.00 0.00 C ATOM 1112 CE LYS A 69 29.680 33.551 -15.857 1.00 0.00 C ATOM 1113 NZ LYS A 69 29.841 34.999 -15.592 1.00 0.00 N ATOM 0 H LYS A 69 24.785 31.352 -12.606 1.00 0.00 H new ATOM 0 HA LYS A 69 24.625 33.645 -14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.644 32.943 -13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.723 31.459 -13.952 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.017 32.894 -16.040 1.00 0.00 H new ATOM 0 HG3 LYS A 69 27.169 34.282 -14.982 1.00 0.00 H new ATOM 0 HD2 LYS A 69 29.084 33.193 -13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 69 28.928 31.794 -14.863 1.00 0.00 H new ATOM 0 HE2 LYS A 69 30.659 33.072 -15.860 1.00 0.00 H new ATOM 0 HE3 LYS A 69 29.253 33.409 -16.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.454 35.419 -16.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 28.910 35.462 -15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 30.273 35.135 -14.656 1.00 0.00 H new ATOM 1127 N LYS A 70 24.954 30.729 -15.817 1.00 0.00 N ATOM 1128 CA LYS A 70 24.750 30.070 -17.085 1.00 0.00 C ATOM 1129 C LYS A 70 23.282 30.036 -17.422 1.00 0.00 C ATOM 1130 O LYS A 70 22.897 30.185 -18.577 1.00 0.00 O ATOM 1131 CB LYS A 70 25.340 28.666 -17.063 1.00 0.00 C ATOM 1132 CG LYS A 70 26.855 28.654 -16.885 1.00 0.00 C ATOM 1133 CD LYS A 70 27.411 27.244 -16.827 1.00 0.00 C ATOM 1134 CE LYS A 70 27.214 26.529 -18.150 1.00 0.00 C ATOM 1135 NZ LYS A 70 27.884 25.199 -18.169 1.00 0.00 N ATOM 0 H LYS A 70 25.338 30.130 -15.086 1.00 0.00 H new ATOM 0 HA LYS A 70 25.267 30.635 -17.861 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.881 28.099 -16.253 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.086 28.157 -17.993 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.321 29.193 -17.710 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.116 29.184 -15.969 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.473 27.277 -16.582 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.917 26.687 -16.031 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.148 26.401 -18.338 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.608 27.145 -18.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.267 24.506 -18.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 28.782 25.270 -18.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.072 24.891 -17.194 1.00 0.00 H new ATOM 1149 N ARG A 71 22.466 29.842 -16.403 1.00 0.00 N ATOM 1150 CA ARG A 71 21.023 29.823 -16.559 1.00 0.00 C ATOM 1151 C ARG A 71 20.535 31.141 -17.157 1.00 0.00 C ATOM 1152 O ARG A 71 19.681 31.153 -18.037 1.00 0.00 O ATOM 1153 CB ARG A 71 20.353 29.570 -15.201 1.00 0.00 C ATOM 1154 CG ARG A 71 18.837 29.448 -15.256 1.00 0.00 C ATOM 1155 CD ARG A 71 18.248 29.227 -13.867 1.00 0.00 C ATOM 1156 NE ARG A 71 16.787 29.133 -13.898 1.00 0.00 N ATOM 1157 CZ ARG A 71 15.996 29.209 -12.825 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.513 29.412 -11.626 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.681 29.097 -12.966 1.00 0.00 N ATOM 0 H ARG A 71 22.784 29.693 -15.445 1.00 0.00 H new ATOM 0 HA ARG A 71 20.753 29.016 -17.240 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.763 28.655 -14.773 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.615 30.383 -14.524 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.413 30.352 -15.694 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.560 28.619 -15.907 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.661 28.313 -13.440 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.545 30.047 -13.213 1.00 0.00 H new ATOM 0 HE ARG A 71 16.341 29.000 -14.806 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.522 29.512 -11.516 1.00 0.00 H new ATOM 0 HH12 ARG A 71 15.903 29.469 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.278 28.953 -13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.074 29.155 -12.149 1.00 0.00 H new ATOM 1173 N GLU A 72 21.101 32.245 -16.685 1.00 0.00 N ATOM 1174 CA GLU A 72 20.709 33.548 -17.125 1.00 0.00 C ATOM 1175 C GLU A 72 21.187 33.802 -18.547 1.00 0.00 C ATOM 1176 O GLU A 72 20.443 34.320 -19.389 1.00 0.00 O ATOM 1177 CB GLU A 72 21.301 34.609 -16.210 1.00 0.00 C ATOM 1178 CG GLU A 72 20.746 35.978 -16.487 1.00 0.00 C ATOM 1179 CD GLU A 72 21.549 37.100 -15.866 1.00 0.00 C ATOM 1180 OE1 GLU A 72 21.700 37.139 -14.627 1.00 0.00 O ATOM 1181 OE2 GLU A 72 22.028 37.964 -16.623 1.00 0.00 O ATOM 0 H GLU A 72 21.844 32.246 -15.986 1.00 0.00 H new ATOM 0 HA GLU A 72 19.621 33.600 -17.097 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.102 34.342 -15.172 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.384 34.627 -16.332 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.701 36.130 -17.565 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.723 36.027 -16.115 1.00 0.00 H new ATOM 1188 N LEU A 73 22.437 33.446 -18.803 1.00 0.00 N ATOM 1189 CA LEU A 73 23.045 33.660 -20.087 1.00 0.00 C ATOM 1190 C LEU A 73 22.380 32.804 -21.149 1.00 0.00 C ATOM 1191 O LEU A 73 22.148 33.262 -22.263 1.00 0.00 O ATOM 1192 CB LEU A 73 24.541 33.376 -20.017 1.00 0.00 C ATOM 1193 CG LEU A 73 25.295 34.073 -18.887 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.784 33.921 -19.060 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.889 35.538 -18.753 1.00 0.00 C ATOM 0 H LEU A 73 23.050 33.001 -18.120 1.00 0.00 H new ATOM 0 HA LEU A 73 22.906 34.705 -20.366 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.684 32.300 -19.915 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.992 33.669 -20.965 1.00 0.00 H new ATOM 0 HG LEU A 73 25.017 33.583 -17.954 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.299 34.426 -18.243 1.00 0.00 H new ATOM 0 HD12 LEU A 73 27.045 32.863 -19.054 1.00 0.00 H new ATOM 0 HD13 LEU A 73 27.087 34.364 -20.009 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.448 35.997 -17.938 1.00 0.00 H new ATOM 0 HD22 LEU A 73 25.107 36.062 -19.683 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.822 35.602 -18.542 1.00 0.00 H new ATOM 1207 N TYR A 74 22.063 31.560 -20.793 1.00 0.00 N ATOM 1208 CA TYR A 74 21.384 30.647 -21.693 1.00 0.00 C ATOM 1209 C TYR A 74 19.998 31.197 -22.052 1.00 0.00 C ATOM 1210 O TYR A 74 19.535 31.070 -23.188 1.00 0.00 O ATOM 1211 CB TYR A 74 21.261 29.281 -21.046 1.00 0.00 C ATOM 1212 CG TYR A 74 21.166 28.150 -22.034 1.00 0.00 C ATOM 1213 CD1 TYR A 74 22.148 27.977 -22.999 1.00 0.00 C ATOM 1214 CD2 TYR A 74 20.117 27.251 -21.997 1.00 0.00 C ATOM 1215 CE1 TYR A 74 22.091 26.944 -23.901 1.00 0.00 C ATOM 1216 CE2 TYR A 74 20.048 26.211 -22.899 1.00 0.00 C ATOM 1217 CZ TYR A 74 21.040 26.061 -23.852 1.00 0.00 C ATOM 1218 OH TYR A 74 20.984 25.013 -24.749 1.00 0.00 O ATOM 0 H TYR A 74 22.271 31.164 -19.876 1.00 0.00 H new ATOM 0 HA TYR A 74 21.966 30.549 -22.609 1.00 0.00 H new ATOM 0 HB2 TYR A 74 22.123 29.116 -20.400 1.00 0.00 H new ATOM 0 HB3 TYR A 74 20.378 29.269 -20.408 1.00 0.00 H new ATOM 0 HD1 TYR A 74 22.975 28.670 -23.041 1.00 0.00 H new ATOM 0 HD2 TYR A 74 19.343 27.365 -21.253 1.00 0.00 H new ATOM 0 HE1 TYR A 74 22.866 26.826 -24.643 1.00 0.00 H new ATOM 0 HE2 TYR A 74 19.223 25.516 -22.862 1.00 0.00 H new ATOM 0 HH TYR A 74 21.894 24.746 -24.997 1.00 0.00 H new ATOM 1228 N ASP A 75 19.343 31.804 -21.059 1.00 0.00 N ATOM 1229 CA ASP A 75 18.038 32.446 -21.249 1.00 0.00 C ATOM 1230 C ASP A 75 18.155 33.587 -22.270 1.00 0.00 C ATOM 1231 O ASP A 75 17.244 33.832 -23.068 1.00 0.00 O ATOM 1232 CB ASP A 75 17.518 32.985 -19.905 1.00 0.00 C ATOM 1233 CG ASP A 75 16.190 33.692 -20.032 1.00 0.00 C ATOM 1234 OD1 ASP A 75 15.148 33.005 -20.118 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.173 34.944 -20.032 1.00 0.00 O ATOM 0 H ASP A 75 19.699 31.865 -20.105 1.00 0.00 H new ATOM 0 HA ASP A 75 17.331 31.708 -21.629 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.418 32.158 -19.201 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.252 33.673 -19.486 1.00 0.00 H new ATOM 1240 N LYS A 76 19.292 34.275 -22.240 1.00 0.00 N ATOM 1241 CA LYS A 76 19.581 35.346 -23.192 1.00 0.00 C ATOM 1242 C LYS A 76 20.078 34.779 -24.503 1.00 0.00 C ATOM 1243 O LYS A 76 20.212 35.505 -25.490 1.00 0.00 O ATOM 1244 CB LYS A 76 20.639 36.287 -22.647 1.00 0.00 C ATOM 1245 CG LYS A 76 20.186 37.172 -21.504 1.00 0.00 C ATOM 1246 CD LYS A 76 21.328 38.068 -21.070 1.00 0.00 C ATOM 1247 CE LYS A 76 20.894 39.106 -20.034 1.00 0.00 C ATOM 1248 NZ LYS A 76 20.430 38.502 -18.754 1.00 0.00 N ATOM 0 H LYS A 76 20.035 34.109 -21.561 1.00 0.00 H new ATOM 0 HA LYS A 76 18.652 35.893 -23.353 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.491 35.696 -22.312 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.991 36.922 -23.460 1.00 0.00 H new ATOM 0 HG2 LYS A 76 19.334 37.777 -21.815 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.853 36.559 -20.666 1.00 0.00 H new ATOM 0 HD2 LYS A 76 22.128 37.456 -20.654 1.00 0.00 H new ATOM 0 HD3 LYS A 76 21.737 38.578 -21.942 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.729 39.776 -19.830 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.092 39.714 -20.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.949 39.226 -18.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.769 37.725 -18.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.248 38.133 -18.228 1.00 0.00 H new ATOM 1262 N GLY A 77 20.358 33.496 -24.516 1.00 0.00 N ATOM 1263 CA GLY A 77 20.865 32.875 -25.703 1.00 0.00 C ATOM 1264 C GLY A 77 19.755 32.444 -26.660 1.00 0.00 C ATOM 1265 O GLY A 77 19.939 31.438 -27.380 1.00 0.00 O ATOM 1266 OXT GLY A 77 18.703 33.118 -26.712 1.00 0.00 O ATOM 0 H GLY A 77 20.242 32.870 -23.719 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.532 33.569 -26.215 1.00 0.00 H new ATOM 0 HA3 GLY A 77 21.460 32.005 -25.427 1.00 0.00 H new