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 62 TYR OH : rot 180:sc= 0.0799 USER MOD Set 1.2: A 66 SER OG : rot 134:sc= -0.781 USER MOD Set 2.1: A 47 LYS NZ :NH3+ -134:sc= -0.0184 (180deg=-0.257) USER MOD Set 2.2: A 48 ASN : amide:sc= 0.0456 K(o=-0.23,f=-0.83) USER MOD Set 2.3: A 50 ASN : amide:sc= -0.261 K(o=-0.23,f=-1.3) USER MOD Set 3.1: A 16 THR OG1 : rot 180:sc= -0.0136 USER MOD Set 3.2: A 74 TYR OH : rot 164:sc= 0.106 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 42:sc= 2.2 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.984 K(o=-0.98,f=-7.7!) USER MOD Single : A 28 THR OG1 : rot -170:sc= 0.964 USER MOD Single : A 29 GLN : amide:sc= 0.486 K(o=0.49,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -170:sc=-0.00405 (180deg=-0.106) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= 1.17 (180deg=0.189) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3.7!) 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=-0.46) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00266 K(o=-0.0027,f=-0.78) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0159) USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= 0.0182 (180deg=-1.48!) USER MOD Single : A 76 LYS NZ :NH3+ -105:sc= 0.598 (180deg=0.00218) USER MOD ----------------------------------------------------------------- ATOM 241 N THR A 16 11.553 21.572 -22.299 1.00 0.00 N ATOM 242 CA THR A 16 12.667 22.454 -22.153 1.00 0.00 C ATOM 243 C THR A 16 13.622 21.884 -21.122 1.00 0.00 C ATOM 244 O THR A 16 13.346 20.847 -20.537 1.00 0.00 O ATOM 245 CB THR A 16 12.211 23.893 -21.763 1.00 0.00 C ATOM 246 OG1 THR A 16 13.339 24.750 -21.549 1.00 0.00 O ATOM 247 CG2 THR A 16 11.336 23.879 -20.516 1.00 0.00 C ATOM 0 HA THR A 16 13.180 22.535 -23.112 1.00 0.00 H new ATOM 0 HB THR A 16 11.624 24.281 -22.596 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.027 25.647 -21.307 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.035 24.898 -20.271 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.449 23.273 -20.701 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.897 23.456 -19.683 1.00 0.00 H new ATOM 255 N TYR A 17 14.721 22.561 -20.896 1.00 0.00 N ATOM 256 CA TYR A 17 15.722 22.114 -19.928 1.00 0.00 C ATOM 257 C TYR A 17 15.105 22.019 -18.541 1.00 0.00 C ATOM 258 O TYR A 17 15.455 21.151 -17.755 1.00 0.00 O ATOM 259 CB TYR A 17 16.929 23.062 -19.938 1.00 0.00 C ATOM 260 CG TYR A 17 17.877 22.839 -21.118 1.00 0.00 C ATOM 261 CD1 TYR A 17 17.429 22.254 -22.301 1.00 0.00 C ATOM 262 CD2 TYR A 17 19.211 23.224 -21.050 1.00 0.00 C ATOM 263 CE1 TYR A 17 18.281 22.049 -23.368 1.00 0.00 C ATOM 264 CE2 TYR A 17 20.072 23.021 -22.117 1.00 0.00 C ATOM 265 CZ TYR A 17 19.597 22.436 -23.276 1.00 0.00 C ATOM 266 OH TYR A 17 20.447 22.232 -24.343 1.00 0.00 O ATOM 0 H TYR A 17 14.956 23.434 -21.369 1.00 0.00 H new ATOM 0 HA TYR A 17 16.072 21.121 -20.209 1.00 0.00 H new ATOM 0 HB2 TYR A 17 16.571 24.091 -19.961 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.485 22.938 -19.009 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.395 21.955 -22.385 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.583 23.690 -20.149 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.915 21.586 -24.272 1.00 0.00 H new ATOM 0 HE2 TYR A 17 21.108 23.318 -22.043 1.00 0.00 H new ATOM 0 HH TYR A 17 21.341 22.562 -24.117 1.00 0.00 H new ATOM 276 N TYR A 18 14.166 22.898 -18.265 1.00 0.00 N ATOM 277 CA TYR A 18 13.456 22.892 -17.017 1.00 0.00 C ATOM 278 C TYR A 18 12.533 21.671 -16.957 1.00 0.00 C ATOM 279 O TYR A 18 12.389 21.040 -15.917 1.00 0.00 O ATOM 280 CB TYR A 18 12.653 24.176 -16.890 1.00 0.00 C ATOM 281 CG TYR A 18 13.497 25.429 -16.708 1.00 0.00 C ATOM 282 CD1 TYR A 18 14.440 25.820 -17.667 1.00 0.00 C ATOM 283 CD2 TYR A 18 13.351 26.220 -15.581 1.00 0.00 C ATOM 284 CE1 TYR A 18 15.201 26.958 -17.495 1.00 0.00 C ATOM 285 CE2 TYR A 18 14.109 27.361 -15.408 1.00 0.00 C ATOM 286 CZ TYR A 18 15.030 27.725 -16.366 1.00 0.00 C ATOM 287 OH TYR A 18 15.784 28.863 -16.188 1.00 0.00 O ATOM 0 H TYR A 18 13.877 23.637 -18.906 1.00 0.00 H new ATOM 0 HA TYR A 18 14.162 22.834 -16.189 1.00 0.00 H new ATOM 0 HB2 TYR A 18 12.036 24.294 -17.781 1.00 0.00 H new ATOM 0 HB3 TYR A 18 11.974 24.083 -16.042 1.00 0.00 H new ATOM 0 HD1 TYR A 18 14.574 25.221 -18.556 1.00 0.00 H new ATOM 0 HD2 TYR A 18 12.632 25.940 -14.825 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.926 27.245 -18.242 1.00 0.00 H new ATOM 0 HE2 TYR A 18 13.980 27.967 -14.523 1.00 0.00 H new ATOM 0 HH TYR A 18 15.848 29.349 -17.036 1.00 0.00 H new ATOM 297 N ASP A 19 11.924 21.350 -18.103 1.00 0.00 N ATOM 298 CA ASP A 19 11.028 20.188 -18.231 1.00 0.00 C ATOM 299 C ASP A 19 11.805 18.888 -18.041 1.00 0.00 C ATOM 300 O ASP A 19 11.305 17.932 -17.456 1.00 0.00 O ATOM 301 CB ASP A 19 10.343 20.185 -19.608 1.00 0.00 C ATOM 302 CG ASP A 19 9.221 19.149 -19.706 1.00 0.00 C ATOM 303 OD1 ASP A 19 8.103 19.427 -19.216 1.00 0.00 O ATOM 304 OD2 ASP A 19 9.449 18.064 -20.276 1.00 0.00 O ATOM 0 H ASP A 19 12.035 21.883 -18.966 1.00 0.00 H new ATOM 0 HA ASP A 19 10.266 20.261 -17.455 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.936 21.176 -19.809 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.087 19.983 -20.379 1.00 0.00 H new ATOM 309 N VAL A 20 13.034 18.875 -18.544 1.00 0.00 N ATOM 310 CA VAL A 20 13.933 17.729 -18.423 1.00 0.00 C ATOM 311 C VAL A 20 14.195 17.426 -16.951 1.00 0.00 C ATOM 312 O VAL A 20 14.208 16.271 -16.527 1.00 0.00 O ATOM 313 CB VAL A 20 15.285 18.006 -19.136 1.00 0.00 C ATOM 314 CG1 VAL A 20 16.202 16.812 -19.052 1.00 0.00 C ATOM 315 CG2 VAL A 20 15.055 18.376 -20.579 1.00 0.00 C ATOM 0 H VAL A 20 13.439 19.663 -19.050 1.00 0.00 H new ATOM 0 HA VAL A 20 13.454 16.872 -18.898 1.00 0.00 H new ATOM 0 HB VAL A 20 15.763 18.842 -18.626 1.00 0.00 H new ATOM 0 HG11 VAL A 20 17.140 17.037 -19.560 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.403 16.580 -18.006 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.727 15.955 -19.529 1.00 0.00 H new ATOM 0 HG21 VAL A 20 16.013 18.567 -21.063 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.548 17.557 -21.088 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.438 19.273 -20.631 1.00 0.00 H new ATOM 325 N LEU A 21 14.399 18.487 -16.181 1.00 0.00 N ATOM 326 CA LEU A 21 14.654 18.364 -14.739 1.00 0.00 C ATOM 327 C LEU A 21 13.339 18.271 -13.979 1.00 0.00 C ATOM 328 O LEU A 21 13.325 18.019 -12.769 1.00 0.00 O ATOM 329 CB LEU A 21 15.470 19.571 -14.211 1.00 0.00 C ATOM 330 CG LEU A 21 17.010 19.547 -14.409 1.00 0.00 C ATOM 331 CD1 LEU A 21 17.655 18.439 -13.621 1.00 0.00 C ATOM 332 CD2 LEU A 21 17.380 19.416 -15.855 1.00 0.00 C ATOM 0 H LEU A 21 14.394 19.447 -16.525 1.00 0.00 H new ATOM 0 HA LEU A 21 15.234 17.455 -14.579 1.00 0.00 H new ATOM 0 HB2 LEU A 21 15.085 20.471 -14.690 1.00 0.00 H new ATOM 0 HB3 LEU A 21 15.271 19.668 -13.144 1.00 0.00 H new ATOM 0 HG LEU A 21 17.383 20.502 -14.038 1.00 0.00 H new ATOM 0 HD11 LEU A 21 18.732 18.455 -13.786 1.00 0.00 H new ATOM 0 HD12 LEU A 21 17.448 18.579 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU A 21 17.253 17.480 -13.946 1.00 0.00 H new ATOM 0 HD21 LEU A 21 18.466 19.403 -15.953 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.968 18.489 -16.253 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.976 20.261 -16.412 1.00 0.00 H new ATOM 344 N GLY A 22 12.239 18.453 -14.692 1.00 0.00 N ATOM 345 CA GLY A 22 10.936 18.392 -14.073 1.00 0.00 C ATOM 346 C GLY A 22 10.770 19.455 -13.009 1.00 0.00 C ATOM 347 O GLY A 22 10.093 19.236 -11.994 1.00 0.00 O ATOM 0 H GLY A 22 12.228 18.643 -15.694 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.166 18.516 -14.834 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.790 17.407 -13.629 1.00 0.00 H new ATOM 351 N VAL A 23 11.362 20.608 -13.246 1.00 0.00 N ATOM 352 CA VAL A 23 11.355 21.674 -12.270 1.00 0.00 C ATOM 353 C VAL A 23 10.610 22.885 -12.825 1.00 0.00 C ATOM 354 O VAL A 23 10.395 22.997 -14.037 1.00 0.00 O ATOM 355 CB VAL A 23 12.810 22.069 -11.888 1.00 0.00 C ATOM 356 CG1 VAL A 23 13.379 23.125 -12.815 1.00 0.00 C ATOM 357 CG2 VAL A 23 12.913 22.481 -10.427 1.00 0.00 C ATOM 0 H VAL A 23 11.856 20.829 -14.111 1.00 0.00 H new ATOM 0 HA VAL A 23 10.844 21.324 -11.373 1.00 0.00 H new ATOM 0 HB VAL A 23 13.425 21.178 -12.017 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.396 23.368 -12.508 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.389 22.745 -13.837 1.00 0.00 H new ATOM 0 HG13 VAL A 23 12.761 24.022 -12.767 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.944 22.750 -10.197 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.265 23.338 -10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.604 21.651 -9.792 1.00 0.00 H new ATOM 367 N LYS A 24 10.213 23.769 -11.943 1.00 0.00 N ATOM 368 CA LYS A 24 9.467 24.942 -12.322 1.00 0.00 C ATOM 369 C LYS A 24 10.401 26.078 -12.728 1.00 0.00 C ATOM 370 O LYS A 24 11.562 26.115 -12.333 1.00 0.00 O ATOM 371 CB LYS A 24 8.569 25.382 -11.172 1.00 0.00 C ATOM 372 CG LYS A 24 7.494 24.367 -10.794 1.00 0.00 C ATOM 373 CD LYS A 24 6.808 24.750 -9.496 1.00 0.00 C ATOM 374 CE LYS A 24 6.092 26.081 -9.609 1.00 0.00 C ATOM 375 NZ LYS A 24 5.462 26.475 -8.330 1.00 0.00 N ATOM 0 H LYS A 24 10.398 23.695 -10.943 1.00 0.00 H new ATOM 0 HA LYS A 24 8.848 24.691 -13.183 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.189 25.581 -10.298 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.087 26.322 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.755 24.301 -11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.943 23.379 -10.693 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.093 23.975 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.547 24.801 -8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.800 26.850 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.330 26.019 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.982 27.390 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.768 25.754 -8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.192 26.559 -7.594 1.00 0.00 H new ATOM 389 N PRO A 25 9.891 27.027 -13.518 1.00 0.00 N ATOM 390 CA PRO A 25 10.664 28.181 -13.992 1.00 0.00 C ATOM 391 C PRO A 25 11.045 29.145 -12.864 1.00 0.00 C ATOM 392 O PRO A 25 11.885 30.018 -13.049 1.00 0.00 O ATOM 393 CB PRO A 25 9.714 28.877 -14.977 1.00 0.00 C ATOM 394 CG PRO A 25 8.662 27.868 -15.284 1.00 0.00 C ATOM 395 CD PRO A 25 8.530 27.033 -14.051 1.00 0.00 C ATOM 0 HA PRO A 25 11.611 27.868 -14.433 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.281 29.776 -14.538 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.240 29.185 -15.881 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.717 28.351 -15.533 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.944 27.258 -16.142 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.821 27.464 -13.344 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.180 26.026 -14.280 1.00 0.00 H new ATOM 403 N ASN A 26 10.441 28.975 -11.694 1.00 0.00 N ATOM 404 CA ASN A 26 10.694 29.865 -10.582 1.00 0.00 C ATOM 405 C ASN A 26 11.545 29.166 -9.556 1.00 0.00 C ATOM 406 O ASN A 26 11.762 29.677 -8.454 1.00 0.00 O ATOM 407 CB ASN A 26 9.380 30.355 -9.943 1.00 0.00 C ATOM 408 CG ASN A 26 8.582 29.251 -9.265 1.00 0.00 C ATOM 409 OD1 ASN A 26 8.615 28.091 -9.678 1.00 0.00 O ATOM 410 ND2 ASN A 26 7.869 29.607 -8.217 1.00 0.00 N ATOM 0 H ASN A 26 9.775 28.228 -11.497 1.00 0.00 H new ATOM 0 HA ASN A 26 11.225 30.740 -10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.609 31.129 -9.210 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.762 30.818 -10.713 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.317 28.911 -7.715 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.869 30.579 -7.907 1.00 0.00 H new ATOM 417 N ALA A 27 12.032 27.991 -9.926 1.00 0.00 N ATOM 418 CA ALA A 27 12.873 27.212 -9.073 1.00 0.00 C ATOM 419 C ALA A 27 14.223 27.876 -8.893 1.00 0.00 C ATOM 420 O ALA A 27 14.704 28.596 -9.774 1.00 0.00 O ATOM 421 CB ALA A 27 13.028 25.834 -9.651 1.00 0.00 C ATOM 0 H ALA A 27 11.846 27.562 -10.833 1.00 0.00 H new ATOM 0 HA ALA A 27 12.410 27.137 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.669 25.237 -9.002 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.050 25.360 -9.729 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.478 25.903 -10.641 1.00 0.00 H new ATOM 427 N THR A 28 14.806 27.656 -7.744 1.00 0.00 N ATOM 428 CA THR A 28 16.084 28.227 -7.410 1.00 0.00 C ATOM 429 C THR A 28 17.202 27.408 -7.946 1.00 0.00 C ATOM 430 O THR A 28 17.003 26.277 -8.376 1.00 0.00 O ATOM 431 CB THR A 28 16.248 28.338 -5.896 1.00 0.00 C ATOM 432 OG1 THR A 28 16.252 27.032 -5.311 1.00 0.00 O ATOM 433 CG2 THR A 28 15.110 29.106 -5.339 1.00 0.00 C ATOM 0 H THR A 28 14.405 27.072 -7.010 1.00 0.00 H new ATOM 0 HA THR A 28 16.116 29.218 -7.862 1.00 0.00 H new ATOM 0 HB THR A 28 17.189 28.841 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.198 27.110 -4.336 1.00 0.00 H new ATOM 0 HG21 THR A 28 15.221 29.189 -4.258 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.093 30.103 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.177 28.592 -5.569 1.00 0.00 H new ATOM 441 N GLN A 29 18.377 27.984 -7.924 1.00 0.00 N ATOM 442 CA GLN A 29 19.581 27.281 -8.302 1.00 0.00 C ATOM 443 C GLN A 29 19.697 25.998 -7.470 1.00 0.00 C ATOM 444 O GLN A 29 20.108 24.945 -7.960 1.00 0.00 O ATOM 445 CB GLN A 29 20.781 28.181 -8.067 1.00 0.00 C ATOM 446 CG GLN A 29 22.055 27.699 -8.734 1.00 0.00 C ATOM 447 CD GLN A 29 23.227 28.629 -8.476 1.00 0.00 C ATOM 448 OE1 GLN A 29 23.047 29.819 -8.214 1.00 0.00 O ATOM 449 NE2 GLN A 29 24.425 28.107 -8.592 1.00 0.00 N ATOM 0 H GLN A 29 18.528 28.953 -7.644 1.00 0.00 H new ATOM 0 HA GLN A 29 19.545 27.014 -9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 29 20.549 29.182 -8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.954 28.265 -6.994 1.00 0.00 H new ATOM 0 HG2 GLN A 29 22.299 26.701 -8.369 1.00 0.00 H new ATOM 0 HG3 GLN A 29 21.891 27.614 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.531 27.116 -8.810 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.251 28.692 -8.464 1.00 0.00 H new ATOM 458 N GLU A 30 19.294 26.107 -6.213 1.00 0.00 N ATOM 459 CA GLU A 30 19.309 24.997 -5.288 1.00 0.00 C ATOM 460 C GLU A 30 18.228 23.985 -5.663 1.00 0.00 C ATOM 461 O GLU A 30 18.457 22.771 -5.635 1.00 0.00 O ATOM 462 CB GLU A 30 19.062 25.507 -3.873 1.00 0.00 C ATOM 463 CG GLU A 30 19.185 24.435 -2.812 1.00 0.00 C ATOM 464 CD GLU A 30 18.932 24.958 -1.422 1.00 0.00 C ATOM 465 OE1 GLU A 30 17.897 25.623 -1.208 1.00 0.00 O ATOM 466 OE2 GLU A 30 19.766 24.701 -0.532 1.00 0.00 O ATOM 0 H GLU A 30 18.946 26.976 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 30 20.283 24.510 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.771 26.305 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.065 25.944 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.478 23.634 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.183 24.000 -2.856 1.00 0.00 H new ATOM 473 N GLU A 31 17.056 24.501 -6.028 1.00 0.00 N ATOM 474 CA GLU A 31 15.936 23.686 -6.408 1.00 0.00 C ATOM 475 C GLU A 31 16.236 22.926 -7.689 1.00 0.00 C ATOM 476 O GLU A 31 15.810 21.780 -7.865 1.00 0.00 O ATOM 477 CB GLU A 31 14.682 24.548 -6.542 1.00 0.00 C ATOM 478 CG GLU A 31 13.444 23.755 -6.863 1.00 0.00 C ATOM 479 CD GLU A 31 12.184 24.391 -6.312 1.00 0.00 C ATOM 480 OE1 GLU A 31 12.012 24.392 -5.071 1.00 0.00 O ATOM 481 OE2 GLU A 31 11.353 24.884 -7.105 1.00 0.00 O ATOM 0 H GLU A 31 16.870 25.503 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 31 15.753 22.947 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.524 25.094 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.842 25.290 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.352 23.654 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.546 22.749 -6.456 1.00 0.00 H new ATOM 488 N LEU A 32 16.986 23.560 -8.569 1.00 0.00 N ATOM 489 CA LEU A 32 17.418 22.929 -9.793 1.00 0.00 C ATOM 490 C LEU A 32 18.267 21.707 -9.474 1.00 0.00 C ATOM 491 O LEU A 32 18.111 20.649 -10.084 1.00 0.00 O ATOM 492 CB LEU A 32 18.201 23.920 -10.648 1.00 0.00 C ATOM 493 CG LEU A 32 17.361 24.890 -11.495 1.00 0.00 C ATOM 494 CD1 LEU A 32 15.916 24.942 -11.026 1.00 0.00 C ATOM 495 CD2 LEU A 32 17.952 26.279 -11.469 1.00 0.00 C ATOM 0 H LEU A 32 17.309 24.520 -8.454 1.00 0.00 H new ATOM 0 HA LEU A 32 16.542 22.607 -10.357 1.00 0.00 H new ATOM 0 HB2 LEU A 32 18.845 24.506 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 32 18.853 23.357 -11.316 1.00 0.00 H new ATOM 0 HG LEU A 32 17.376 24.513 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.356 25.638 -11.650 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.473 23.949 -11.102 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.882 25.276 -9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.340 26.946 -12.076 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.979 26.644 -10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.965 26.251 -11.870 1.00 0.00 H new ATOM 507 N LYS A 33 19.157 21.858 -8.498 1.00 0.00 N ATOM 508 CA LYS A 33 19.985 20.754 -8.027 1.00 0.00 C ATOM 509 C LYS A 33 19.133 19.661 -7.390 1.00 0.00 C ATOM 510 O LYS A 33 19.369 18.474 -7.598 1.00 0.00 O ATOM 511 CB LYS A 33 21.022 21.241 -7.016 1.00 0.00 C ATOM 512 CG LYS A 33 22.075 22.157 -7.598 1.00 0.00 C ATOM 513 CD LYS A 33 23.082 22.562 -6.547 1.00 0.00 C ATOM 514 CE LYS A 33 24.173 23.433 -7.128 1.00 0.00 C ATOM 515 NZ LYS A 33 25.343 23.530 -6.220 1.00 0.00 N ATOM 0 H LYS A 33 19.324 22.741 -8.015 1.00 0.00 H new ATOM 0 HA LYS A 33 20.499 20.342 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.508 21.763 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.515 20.376 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.585 21.655 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.600 23.046 -8.013 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.576 23.099 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.525 21.670 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.491 23.026 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.778 24.431 -7.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.069 24.135 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.045 23.942 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.736 22.581 -6.057 1.00 0.00 H new ATOM 529 N LYS A 34 18.147 20.076 -6.605 1.00 0.00 N ATOM 530 CA LYS A 34 17.272 19.139 -5.906 1.00 0.00 C ATOM 531 C LYS A 34 16.503 18.262 -6.893 1.00 0.00 C ATOM 532 O LYS A 34 16.368 17.049 -6.682 1.00 0.00 O ATOM 533 CB LYS A 34 16.312 19.898 -4.981 1.00 0.00 C ATOM 534 CG LYS A 34 15.437 19.004 -4.117 1.00 0.00 C ATOM 535 CD LYS A 34 14.593 19.826 -3.164 1.00 0.00 C ATOM 536 CE LYS A 34 13.734 18.948 -2.275 1.00 0.00 C ATOM 537 NZ LYS A 34 12.948 19.749 -1.304 1.00 0.00 N ATOM 0 H LYS A 34 17.931 21.058 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 34 17.891 18.481 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.893 20.554 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.671 20.537 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.790 18.399 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.063 18.314 -3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.242 20.446 -2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.955 20.502 -3.733 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.057 18.358 -2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.369 18.244 -1.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.374 19.114 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.595 20.293 -0.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.324 20.403 -1.818 1.00 0.00 H new ATOM 551 N ALA A 35 16.001 18.873 -7.967 1.00 0.00 N ATOM 552 CA ALA A 35 15.309 18.121 -9.015 1.00 0.00 C ATOM 553 C ALA A 35 16.262 17.103 -9.608 1.00 0.00 C ATOM 554 O ALA A 35 15.908 15.935 -9.803 1.00 0.00 O ATOM 555 CB ALA A 35 14.807 19.070 -10.105 1.00 0.00 C ATOM 0 H ALA A 35 16.059 19.878 -8.134 1.00 0.00 H new ATOM 0 HA ALA A 35 14.450 17.607 -8.584 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.294 18.498 -10.878 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.116 19.791 -9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.653 19.598 -10.545 1.00 0.00 H new ATOM 561 N TYR A 36 17.491 17.546 -9.851 1.00 0.00 N ATOM 562 CA TYR A 36 18.532 16.687 -10.389 1.00 0.00 C ATOM 563 C TYR A 36 18.785 15.510 -9.472 1.00 0.00 C ATOM 564 O TYR A 36 18.893 14.395 -9.927 1.00 0.00 O ATOM 565 CB TYR A 36 19.827 17.482 -10.596 1.00 0.00 C ATOM 566 CG TYR A 36 21.035 16.635 -10.954 1.00 0.00 C ATOM 567 CD1 TYR A 36 21.185 16.095 -12.224 1.00 0.00 C ATOM 568 CD2 TYR A 36 22.031 16.382 -10.016 1.00 0.00 C ATOM 569 CE1 TYR A 36 22.289 15.328 -12.547 1.00 0.00 C ATOM 570 CE2 TYR A 36 23.135 15.616 -10.335 1.00 0.00 C ATOM 571 CZ TYR A 36 23.260 15.090 -11.598 1.00 0.00 C ATOM 572 OH TYR A 36 24.369 14.327 -11.919 1.00 0.00 O ATOM 0 H TYR A 36 17.790 18.506 -9.681 1.00 0.00 H new ATOM 0 HA TYR A 36 18.194 16.307 -11.353 1.00 0.00 H new ATOM 0 HB2 TYR A 36 19.666 18.215 -11.386 1.00 0.00 H new ATOM 0 HB3 TYR A 36 20.046 18.039 -9.685 1.00 0.00 H new ATOM 0 HD1 TYR A 36 20.427 16.277 -12.972 1.00 0.00 H new ATOM 0 HD2 TYR A 36 21.939 16.792 -9.021 1.00 0.00 H new ATOM 0 HE1 TYR A 36 22.390 14.916 -13.540 1.00 0.00 H new ATOM 0 HE2 TYR A 36 23.898 15.431 -9.594 1.00 0.00 H new ATOM 0 HH TYR A 36 24.956 14.257 -11.137 1.00 0.00 H new ATOM 582 N ARG A 37 18.864 15.778 -8.180 1.00 0.00 N ATOM 583 CA ARG A 37 19.143 14.744 -7.188 1.00 0.00 C ATOM 584 C ARG A 37 18.077 13.647 -7.238 1.00 0.00 C ATOM 585 O ARG A 37 18.397 12.457 -7.234 1.00 0.00 O ATOM 586 CB ARG A 37 19.178 15.367 -5.783 1.00 0.00 C ATOM 587 CG ARG A 37 19.572 14.404 -4.673 1.00 0.00 C ATOM 588 CD ARG A 37 19.462 15.065 -3.301 1.00 0.00 C ATOM 589 NE ARG A 37 20.251 16.297 -3.210 1.00 0.00 N ATOM 590 CZ ARG A 37 20.119 17.217 -2.247 1.00 0.00 C ATOM 591 NH1 ARG A 37 19.225 17.051 -1.270 1.00 0.00 N ATOM 592 NH2 ARG A 37 20.889 18.304 -2.254 1.00 0.00 N ATOM 0 H ARG A 37 18.738 16.711 -7.787 1.00 0.00 H new ATOM 0 HA ARG A 37 20.112 14.299 -7.414 1.00 0.00 H new ATOM 0 HB2 ARG A 37 19.879 16.202 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.194 15.778 -5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.930 13.524 -4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 37 20.594 14.060 -4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.416 15.290 -3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.797 14.365 -2.535 1.00 0.00 H new ATOM 0 HE ARG A 37 20.951 16.465 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.636 16.218 -1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.131 17.757 -0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.579 18.435 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.788 19.005 -1.520 1.00 0.00 H new ATOM 606 N LYS A 38 16.813 14.054 -7.308 1.00 0.00 N ATOM 607 CA LYS A 38 15.709 13.101 -7.345 1.00 0.00 C ATOM 608 C LYS A 38 15.749 12.259 -8.635 1.00 0.00 C ATOM 609 O LYS A 38 15.630 11.015 -8.602 1.00 0.00 O ATOM 610 CB LYS A 38 14.371 13.847 -7.213 1.00 0.00 C ATOM 611 CG LYS A 38 13.153 12.938 -7.106 1.00 0.00 C ATOM 612 CD LYS A 38 11.874 13.738 -6.877 1.00 0.00 C ATOM 613 CE LYS A 38 10.664 12.827 -6.710 1.00 0.00 C ATOM 614 NZ LYS A 38 10.404 12.002 -7.920 1.00 0.00 N ATOM 0 H LYS A 38 16.529 15.033 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 38 15.810 12.415 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.411 14.487 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.247 14.501 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.056 12.349 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.294 12.234 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.987 14.360 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.710 14.411 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.822 12.171 -5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.784 13.432 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.483 11.528 -7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.395 12.613 -8.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.152 11.287 -8.020 1.00 0.00 H new ATOM 628 N LEU A 39 15.937 12.934 -9.758 1.00 0.00 N ATOM 629 CA LEU A 39 15.994 12.270 -11.054 1.00 0.00 C ATOM 630 C LEU A 39 17.180 11.357 -11.126 1.00 0.00 C ATOM 631 O LEU A 39 17.089 10.249 -11.619 1.00 0.00 O ATOM 632 CB LEU A 39 16.098 13.285 -12.158 1.00 0.00 C ATOM 633 CG LEU A 39 15.064 14.373 -12.132 1.00 0.00 C ATOM 634 CD1 LEU A 39 15.302 15.359 -13.252 1.00 0.00 C ATOM 635 CD2 LEU A 39 13.654 13.801 -12.192 1.00 0.00 C ATOM 0 H LEU A 39 16.053 13.946 -9.799 1.00 0.00 H new ATOM 0 HA LEU A 39 15.079 11.689 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 39 17.085 13.744 -12.114 1.00 0.00 H new ATOM 0 HB3 LEU A 39 16.030 12.765 -13.114 1.00 0.00 H new ATOM 0 HG LEU A 39 15.159 14.904 -11.185 1.00 0.00 H new ATOM 0 HD11 LEU A 39 14.543 16.140 -13.217 1.00 0.00 H new ATOM 0 HD12 LEU A 39 16.289 15.807 -13.139 1.00 0.00 H new ATOM 0 HD13 LEU A 39 15.246 14.842 -14.210 1.00 0.00 H new ATOM 0 HD21 LEU A 39 12.930 14.615 -12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.532 13.230 -13.112 1.00 0.00 H new ATOM 0 HD23 LEU A 39 13.490 13.148 -11.335 1.00 0.00 H new ATOM 647 N ALA A 40 18.293 11.837 -10.609 1.00 0.00 N ATOM 648 CA ALA A 40 19.545 11.088 -10.608 1.00 0.00 C ATOM 649 C ALA A 40 19.407 9.768 -9.892 1.00 0.00 C ATOM 650 O ALA A 40 20.033 8.792 -10.265 1.00 0.00 O ATOM 651 CB ALA A 40 20.670 11.906 -9.991 1.00 0.00 C ATOM 0 H ALA A 40 18.361 12.758 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 40 19.794 10.880 -11.649 1.00 0.00 H new ATOM 0 HB1 ALA A 40 21.592 11.324 -10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 40 20.811 12.822 -10.565 1.00 0.00 H new ATOM 0 HB3 ALA A 40 20.414 12.159 -8.962 1.00 0.00 H new ATOM 657 N LEU A 41 18.614 9.749 -8.852 1.00 0.00 N ATOM 658 CA LEU A 41 18.384 8.547 -8.105 1.00 0.00 C ATOM 659 C LEU A 41 17.667 7.497 -8.958 1.00 0.00 C ATOM 660 O LEU A 41 18.037 6.320 -8.953 1.00 0.00 O ATOM 661 CB LEU A 41 17.563 8.867 -6.874 1.00 0.00 C ATOM 662 CG LEU A 41 18.250 9.748 -5.832 1.00 0.00 C ATOM 663 CD1 LEU A 41 17.302 10.058 -4.692 1.00 0.00 C ATOM 664 CD2 LEU A 41 19.518 9.080 -5.319 1.00 0.00 C ATOM 0 H LEU A 41 18.112 10.566 -8.503 1.00 0.00 H new ATOM 0 HA LEU A 41 19.347 8.135 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.644 9.360 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 41 17.275 7.930 -6.398 1.00 0.00 H new ATOM 0 HG LEU A 41 18.531 10.689 -6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.808 10.686 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 41 16.428 10.582 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.987 9.129 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.993 9.722 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 41 19.266 8.123 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 41 20.204 8.915 -6.150 1.00 0.00 H new ATOM 676 N LYS A 42 16.649 7.926 -9.697 1.00 0.00 N ATOM 677 CA LYS A 42 15.902 7.040 -10.532 1.00 0.00 C ATOM 678 C LYS A 42 16.632 6.708 -11.844 1.00 0.00 C ATOM 679 O LYS A 42 16.704 5.546 -12.257 1.00 0.00 O ATOM 680 CB LYS A 42 14.558 7.657 -10.825 1.00 0.00 C ATOM 681 CG LYS A 42 13.755 6.856 -11.785 1.00 0.00 C ATOM 682 CD LYS A 42 13.417 5.481 -11.230 1.00 0.00 C ATOM 683 CE LYS A 42 12.910 4.556 -12.322 1.00 0.00 C ATOM 684 NZ LYS A 42 13.967 4.278 -13.331 1.00 0.00 N ATOM 0 H LYS A 42 16.333 8.895 -9.723 1.00 0.00 H new ATOM 0 HA LYS A 42 15.779 6.099 -9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.002 7.765 -9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.703 8.660 -11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.834 7.389 -12.022 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.308 6.745 -12.718 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.302 5.047 -10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.661 5.577 -10.451 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.572 3.619 -11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.047 5.007 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.800 3.346 -13.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.942 5.009 -14.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.899 4.285 -12.869 1.00 0.00 H new ATOM 698 N TYR A 43 17.167 7.727 -12.469 1.00 0.00 N ATOM 699 CA TYR A 43 17.820 7.598 -13.786 1.00 0.00 C ATOM 700 C TYR A 43 19.321 7.387 -13.660 1.00 0.00 C ATOM 701 O TYR A 43 20.062 7.633 -14.605 1.00 0.00 O ATOM 702 CB TYR A 43 17.537 8.841 -14.676 1.00 0.00 C ATOM 703 CG TYR A 43 16.087 8.996 -15.088 1.00 0.00 C ATOM 704 CD1 TYR A 43 15.130 9.471 -14.198 1.00 0.00 C ATOM 705 CD2 TYR A 43 15.676 8.665 -16.371 1.00 0.00 C ATOM 706 CE1 TYR A 43 13.807 9.607 -14.577 1.00 0.00 C ATOM 707 CE2 TYR A 43 14.357 8.803 -16.756 1.00 0.00 C ATOM 708 CZ TYR A 43 13.428 9.272 -15.858 1.00 0.00 C ATOM 709 OH TYR A 43 12.111 9.393 -16.242 1.00 0.00 O ATOM 0 H TYR A 43 17.172 8.676 -12.095 1.00 0.00 H new ATOM 0 HA TYR A 43 17.392 6.715 -14.261 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.847 9.737 -14.138 1.00 0.00 H new ATOM 0 HB3 TYR A 43 18.153 8.779 -15.573 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.425 9.738 -13.194 1.00 0.00 H new ATOM 0 HD2 TYR A 43 16.400 8.293 -17.081 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.075 9.974 -13.873 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.056 8.543 -17.760 1.00 0.00 H new ATOM 0 HH TYR A 43 12.016 9.116 -17.177 1.00 0.00 H new ATOM 719 N HIS A 44 19.758 6.942 -12.488 1.00 0.00 N ATOM 720 CA HIS A 44 21.174 6.676 -12.222 1.00 0.00 C ATOM 721 C HIS A 44 21.761 5.762 -13.306 1.00 0.00 C ATOM 722 O HIS A 44 21.438 4.583 -13.351 1.00 0.00 O ATOM 723 CB HIS A 44 21.327 6.002 -10.844 1.00 0.00 C ATOM 724 CG HIS A 44 22.722 6.017 -10.303 1.00 0.00 C ATOM 725 ND1 HIS A 44 23.701 6.885 -10.749 1.00 0.00 N ATOM 726 CD2 HIS A 44 23.305 5.268 -9.338 1.00 0.00 C ATOM 727 CE1 HIS A 44 24.821 6.668 -10.079 1.00 0.00 C ATOM 728 NE2 HIS A 44 24.603 5.692 -9.221 1.00 0.00 N ATOM 0 H HIS A 44 19.145 6.754 -11.694 1.00 0.00 H new ATOM 0 HA HIS A 44 21.713 7.623 -12.229 1.00 0.00 H new ATOM 0 HB2 HIS A 44 20.669 6.501 -10.133 1.00 0.00 H new ATOM 0 HB3 HIS A 44 20.990 4.968 -10.919 1.00 0.00 H new ATOM 0 HD2 HIS A 44 22.834 4.482 -8.766 1.00 0.00 H new ATOM 0 HE1 HIS A 44 25.752 7.199 -10.212 1.00 0.00 H new ATOM 0 HE2 HIS A 44 25.292 5.312 -8.572 1.00 0.00 H new ATOM 736 N PRO A 45 22.646 6.292 -14.177 1.00 0.00 N ATOM 737 CA PRO A 45 23.230 5.523 -15.286 1.00 0.00 C ATOM 738 C PRO A 45 24.076 4.348 -14.804 1.00 0.00 C ATOM 739 O PRO A 45 24.271 3.370 -15.526 1.00 0.00 O ATOM 740 CB PRO A 45 24.092 6.543 -16.022 1.00 0.00 C ATOM 741 CG PRO A 45 24.351 7.610 -15.025 1.00 0.00 C ATOM 742 CD PRO A 45 23.135 7.677 -14.161 1.00 0.00 C ATOM 0 HA PRO A 45 22.460 5.073 -15.912 1.00 0.00 H new ATOM 0 HB2 PRO A 45 25.022 6.095 -16.373 1.00 0.00 H new ATOM 0 HB3 PRO A 45 23.577 6.937 -16.898 1.00 0.00 H new ATOM 0 HG2 PRO A 45 25.237 7.382 -14.433 1.00 0.00 H new ATOM 0 HG3 PRO A 45 24.533 8.566 -15.516 1.00 0.00 H new ATOM 0 HD2 PRO A 45 23.375 8.009 -13.151 1.00 0.00 H new ATOM 0 HD3 PRO A 45 22.395 8.372 -14.558 1.00 0.00 H new ATOM 750 N ASP A 46 24.578 4.460 -13.583 1.00 0.00 N ATOM 751 CA ASP A 46 25.371 3.401 -12.959 1.00 0.00 C ATOM 752 C ASP A 46 24.477 2.294 -12.421 1.00 0.00 C ATOM 753 O ASP A 46 24.937 1.192 -12.132 1.00 0.00 O ATOM 754 CB ASP A 46 26.230 3.971 -11.829 1.00 0.00 C ATOM 755 CG ASP A 46 27.291 4.925 -12.325 1.00 0.00 C ATOM 756 OD1 ASP A 46 26.975 6.113 -12.549 1.00 0.00 O ATOM 757 OD2 ASP A 46 28.444 4.491 -12.504 1.00 0.00 O ATOM 0 H ASP A 46 24.450 5.284 -12.995 1.00 0.00 H new ATOM 0 HA ASP A 46 26.023 2.978 -13.723 1.00 0.00 H new ATOM 0 HB2 ASP A 46 25.588 4.488 -11.116 1.00 0.00 H new ATOM 0 HB3 ASP A 46 26.707 3.151 -11.292 1.00 0.00 H new ATOM 762 N LYS A 47 23.194 2.594 -12.292 1.00 0.00 N ATOM 763 CA LYS A 47 22.227 1.632 -11.776 1.00 0.00 C ATOM 764 C LYS A 47 21.356 1.121 -12.906 1.00 0.00 C ATOM 765 O LYS A 47 21.124 -0.074 -13.039 1.00 0.00 O ATOM 766 CB LYS A 47 21.335 2.282 -10.708 1.00 0.00 C ATOM 767 CG LYS A 47 20.334 1.325 -10.084 1.00 0.00 C ATOM 768 CD LYS A 47 19.500 2.000 -9.009 1.00 0.00 C ATOM 769 CE LYS A 47 18.510 1.028 -8.384 1.00 0.00 C ATOM 770 NZ LYS A 47 17.548 0.494 -9.388 1.00 0.00 N ATOM 0 H LYS A 47 22.795 3.500 -12.538 1.00 0.00 H new ATOM 0 HA LYS A 47 22.774 0.803 -11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.967 2.696 -9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.796 3.116 -11.156 1.00 0.00 H new ATOM 0 HG2 LYS A 47 19.677 0.931 -10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.864 0.476 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 47 20.155 2.402 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.961 2.844 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.053 0.201 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.962 1.530 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.584 0.534 -9.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.597 1.067 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 17.791 -0.492 -9.611 1.00 0.00 H new ATOM 784 N ASN A 48 20.893 2.042 -13.724 1.00 0.00 N ATOM 785 CA ASN A 48 20.059 1.723 -14.852 1.00 0.00 C ATOM 786 C ASN A 48 20.639 2.316 -16.110 1.00 0.00 C ATOM 787 O ASN A 48 20.465 3.504 -16.390 1.00 0.00 O ATOM 788 CB ASN A 48 18.646 2.249 -14.669 1.00 0.00 C ATOM 789 CG ASN A 48 17.866 1.525 -13.605 1.00 0.00 C ATOM 790 OD1 ASN A 48 17.900 1.892 -12.436 1.00 0.00 O ATOM 791 ND2 ASN A 48 17.140 0.500 -14.003 1.00 0.00 N ATOM 0 H ASN A 48 21.089 3.038 -13.620 1.00 0.00 H new ATOM 0 HA ASN A 48 20.020 0.637 -14.931 1.00 0.00 H new ATOM 0 HB2 ASN A 48 18.692 3.308 -14.417 1.00 0.00 H new ATOM 0 HB3 ASN A 48 18.112 2.170 -15.616 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.579 -0.020 -13.328 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.139 0.227 -14.986 1.00 0.00 H new ATOM 798 N PRO A 49 21.352 1.506 -16.876 1.00 0.00 N ATOM 799 CA PRO A 49 21.921 1.911 -18.132 1.00 0.00 C ATOM 800 C PRO A 49 20.841 2.332 -19.126 1.00 0.00 C ATOM 801 O PRO A 49 21.090 3.118 -20.041 1.00 0.00 O ATOM 802 CB PRO A 49 22.645 0.654 -18.610 1.00 0.00 C ATOM 803 CG PRO A 49 22.026 -0.440 -17.869 1.00 0.00 C ATOM 804 CD PRO A 49 21.662 0.132 -16.564 1.00 0.00 C ATOM 0 HA PRO A 49 22.577 2.776 -18.038 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.531 0.517 -19.685 1.00 0.00 H new ATOM 0 HB3 PRO A 49 23.714 0.713 -18.408 1.00 0.00 H new ATOM 0 HG2 PRO A 49 21.148 -0.821 -18.390 1.00 0.00 H new ATOM 0 HG3 PRO A 49 22.715 -1.276 -17.753 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.808 -0.383 -16.124 1.00 0.00 H new ATOM 0 HD3 PRO A 49 22.482 0.057 -15.850 1.00 0.00 H new ATOM 812 N ASN A 50 19.634 1.819 -18.916 1.00 0.00 N ATOM 813 CA ASN A 50 18.497 2.136 -19.772 1.00 0.00 C ATOM 814 C ASN A 50 17.936 3.529 -19.465 1.00 0.00 C ATOM 815 O ASN A 50 17.210 4.112 -20.272 1.00 0.00 O ATOM 816 CB ASN A 50 17.394 1.076 -19.602 1.00 0.00 C ATOM 817 CG ASN A 50 16.741 1.122 -18.223 1.00 0.00 C ATOM 818 OD1 ASN A 50 17.248 0.537 -17.259 1.00 0.00 O ATOM 819 ND2 ASN A 50 15.610 1.796 -18.124 1.00 0.00 N ATOM 0 H ASN A 50 19.417 1.177 -18.154 1.00 0.00 H new ATOM 0 HA ASN A 50 18.845 2.133 -20.805 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.631 1.226 -20.366 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.819 0.086 -19.765 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.123 1.847 -17.229 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.223 2.266 -18.942 1.00 0.00 H new ATOM 826 N GLU A 51 18.280 4.064 -18.305 1.00 0.00 N ATOM 827 CA GLU A 51 17.786 5.381 -17.907 1.00 0.00 C ATOM 828 C GLU A 51 18.788 6.491 -18.265 1.00 0.00 C ATOM 829 O GLU A 51 18.449 7.678 -18.242 1.00 0.00 O ATOM 830 CB GLU A 51 17.496 5.407 -16.412 1.00 0.00 C ATOM 831 CG GLU A 51 16.377 4.474 -15.965 1.00 0.00 C ATOM 832 CD GLU A 51 14.992 4.976 -16.304 1.00 0.00 C ATOM 833 OE1 GLU A 51 14.445 5.781 -15.523 1.00 0.00 O ATOM 834 OE2 GLU A 51 14.424 4.543 -17.328 1.00 0.00 O ATOM 0 H GLU A 51 18.893 3.615 -17.625 1.00 0.00 H new ATOM 0 HA GLU A 51 16.864 5.568 -18.457 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.407 5.144 -15.874 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.238 6.426 -16.123 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.523 3.498 -16.429 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.447 4.328 -14.887 1.00 0.00 H new ATOM 841 N GLY A 52 20.010 6.095 -18.628 1.00 0.00 N ATOM 842 CA GLY A 52 21.051 7.054 -18.955 1.00 0.00 C ATOM 843 C GLY A 52 20.774 7.817 -20.234 1.00 0.00 C ATOM 844 O GLY A 52 21.323 8.907 -20.450 1.00 0.00 O ATOM 0 H GLY A 52 20.296 5.119 -18.701 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.157 7.761 -18.132 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.002 6.531 -19.050 1.00 0.00 H new ATOM 848 N GLU A 53 19.925 7.254 -21.091 1.00 0.00 N ATOM 849 CA GLU A 53 19.583 7.906 -22.350 1.00 0.00 C ATOM 850 C GLU A 53 18.920 9.248 -22.080 1.00 0.00 C ATOM 851 O GLU A 53 19.306 10.270 -22.646 1.00 0.00 O ATOM 852 CB GLU A 53 18.643 7.036 -23.199 1.00 0.00 C ATOM 853 CG GLU A 53 19.278 5.771 -23.755 1.00 0.00 C ATOM 854 CD GLU A 53 18.337 5.014 -24.663 1.00 0.00 C ATOM 855 OE1 GLU A 53 17.990 5.549 -25.736 1.00 0.00 O ATOM 856 OE2 GLU A 53 17.954 3.865 -24.317 1.00 0.00 O ATOM 0 H GLU A 53 19.466 6.356 -20.938 1.00 0.00 H new ATOM 0 HA GLU A 53 20.509 8.055 -22.906 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.781 6.757 -22.593 1.00 0.00 H new ATOM 0 HB3 GLU A 53 18.268 7.634 -24.030 1.00 0.00 H new ATOM 0 HG2 GLU A 53 20.181 6.032 -24.306 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.582 5.126 -22.931 1.00 0.00 H new ATOM 863 N LYS A 54 17.919 9.230 -21.220 1.00 0.00 N ATOM 864 CA LYS A 54 17.223 10.414 -20.819 1.00 0.00 C ATOM 865 C LYS A 54 18.132 11.302 -19.981 1.00 0.00 C ATOM 866 O LYS A 54 18.085 12.533 -20.059 1.00 0.00 O ATOM 867 CB LYS A 54 15.998 10.038 -20.036 1.00 0.00 C ATOM 868 CG LYS A 54 15.039 9.156 -20.804 1.00 0.00 C ATOM 869 CD LYS A 54 14.577 9.795 -22.113 1.00 0.00 C ATOM 870 CE LYS A 54 13.610 8.879 -22.848 1.00 0.00 C ATOM 871 NZ LYS A 54 13.148 9.464 -24.130 1.00 0.00 N ATOM 0 H LYS A 54 17.571 8.377 -20.782 1.00 0.00 H new ATOM 0 HA LYS A 54 16.922 10.969 -21.708 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.303 9.523 -19.125 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.479 10.946 -19.730 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.521 8.202 -21.019 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.170 8.941 -20.182 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.095 10.750 -21.906 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.440 10.004 -22.746 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.095 7.922 -23.041 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.749 8.677 -22.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.491 8.805 -24.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.662 10.365 -23.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.966 9.633 -24.749 1.00 0.00 H new ATOM 885 N PHE A 55 18.971 10.649 -19.181 1.00 0.00 N ATOM 886 CA PHE A 55 19.870 11.334 -18.265 1.00 0.00 C ATOM 887 C PHE A 55 20.849 12.248 -19.001 1.00 0.00 C ATOM 888 O PHE A 55 21.366 13.201 -18.421 1.00 0.00 O ATOM 889 CB PHE A 55 20.627 10.323 -17.395 1.00 0.00 C ATOM 890 CG PHE A 55 21.286 10.931 -16.187 1.00 0.00 C ATOM 891 CD1 PHE A 55 20.525 11.359 -15.114 1.00 0.00 C ATOM 892 CD2 PHE A 55 22.664 11.070 -16.123 1.00 0.00 C ATOM 893 CE1 PHE A 55 21.124 11.912 -14.000 1.00 0.00 C ATOM 894 CE2 PHE A 55 23.268 11.626 -15.010 1.00 0.00 C ATOM 895 CZ PHE A 55 22.495 12.047 -13.947 1.00 0.00 C ATOM 0 H PHE A 55 19.045 9.632 -19.152 1.00 0.00 H new ATOM 0 HA PHE A 55 19.258 11.965 -17.620 1.00 0.00 H new ATOM 0 HB2 PHE A 55 19.933 9.549 -17.067 1.00 0.00 H new ATOM 0 HB3 PHE A 55 21.387 9.833 -18.003 1.00 0.00 H new ATOM 0 HD1 PHE A 55 19.450 11.259 -15.148 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.273 10.740 -16.952 1.00 0.00 H new ATOM 0 HE1 PHE A 55 20.518 12.239 -13.169 1.00 0.00 H new ATOM 0 HE2 PHE A 55 24.342 11.731 -14.973 1.00 0.00 H new ATOM 0 HZ PHE A 55 22.963 12.481 -13.076 1.00 0.00 H new ATOM 905 N LYS A 56 21.111 11.961 -20.271 1.00 0.00 N ATOM 906 CA LYS A 56 21.975 12.828 -21.062 1.00 0.00 C ATOM 907 C LYS A 56 21.377 14.235 -21.128 1.00 0.00 C ATOM 908 O LYS A 56 22.088 15.232 -20.999 1.00 0.00 O ATOM 909 CB LYS A 56 22.193 12.271 -22.476 1.00 0.00 C ATOM 910 CG LYS A 56 23.040 11.001 -22.535 1.00 0.00 C ATOM 911 CD LYS A 56 23.250 10.561 -23.980 1.00 0.00 C ATOM 912 CE LYS A 56 24.184 9.360 -24.094 1.00 0.00 C ATOM 913 NZ LYS A 56 23.594 8.124 -23.524 1.00 0.00 N ATOM 0 H LYS A 56 20.745 11.149 -20.768 1.00 0.00 H new ATOM 0 HA LYS A 56 22.949 12.872 -20.574 1.00 0.00 H new ATOM 0 HB2 LYS A 56 21.221 12.065 -22.925 1.00 0.00 H new ATOM 0 HB3 LYS A 56 22.670 13.039 -23.085 1.00 0.00 H new ATOM 0 HG2 LYS A 56 24.005 11.179 -22.060 1.00 0.00 H new ATOM 0 HG3 LYS A 56 22.550 10.205 -21.974 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.286 10.312 -24.424 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.660 11.392 -24.554 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.428 9.192 -25.143 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.120 9.582 -23.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.268 7.338 -23.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.385 8.272 -22.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.715 7.894 -24.029 1.00 0.00 H new ATOM 927 N GLN A 57 20.056 14.299 -21.302 1.00 0.00 N ATOM 928 CA GLN A 57 19.331 15.543 -21.307 1.00 0.00 C ATOM 929 C GLN A 57 19.448 16.215 -19.952 1.00 0.00 C ATOM 930 O GLN A 57 19.701 17.419 -19.854 1.00 0.00 O ATOM 931 CB GLN A 57 17.871 15.246 -21.571 1.00 0.00 C ATOM 932 CG GLN A 57 17.592 14.720 -22.950 1.00 0.00 C ATOM 933 CD GLN A 57 16.127 14.413 -23.180 1.00 0.00 C ATOM 934 OE1 GLN A 57 15.648 13.333 -22.841 1.00 0.00 O ATOM 935 NE2 GLN A 57 15.413 15.350 -23.777 1.00 0.00 N ATOM 0 H GLN A 57 19.468 13.478 -21.443 1.00 0.00 H new ATOM 0 HA GLN A 57 19.740 16.200 -22.075 1.00 0.00 H new ATOM 0 HB2 GLN A 57 17.521 14.519 -20.839 1.00 0.00 H new ATOM 0 HB3 GLN A 57 17.292 16.157 -21.417 1.00 0.00 H new ATOM 0 HG2 GLN A 57 17.924 15.452 -23.686 1.00 0.00 H new ATOM 0 HG3 GLN A 57 18.177 13.815 -23.113 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.850 16.233 -24.042 1.00 0.00 H new ATOM 0 HE22 GLN A 57 14.425 15.191 -23.973 1.00 0.00 H new ATOM 944 N ILE A 58 19.282 15.417 -18.910 1.00 0.00 N ATOM 945 CA ILE A 58 19.313 15.907 -17.545 1.00 0.00 C ATOM 946 C ILE A 58 20.670 16.500 -17.204 1.00 0.00 C ATOM 947 O ILE A 58 20.751 17.571 -16.609 1.00 0.00 O ATOM 948 CB ILE A 58 18.959 14.777 -16.538 1.00 0.00 C ATOM 949 CG1 ILE A 58 17.504 14.367 -16.695 1.00 0.00 C ATOM 950 CG2 ILE A 58 19.215 15.217 -15.121 1.00 0.00 C ATOM 951 CD1 ILE A 58 17.113 13.148 -15.888 1.00 0.00 C ATOM 0 H ILE A 58 19.122 14.413 -18.988 1.00 0.00 H new ATOM 0 HA ILE A 58 18.562 16.693 -17.465 1.00 0.00 H new ATOM 0 HB ILE A 58 19.598 13.921 -16.755 1.00 0.00 H new ATOM 0 HG12 ILE A 58 16.869 15.203 -16.401 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.305 14.171 -17.749 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.959 14.408 -14.437 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.268 15.472 -15.004 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.603 16.090 -14.895 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.060 12.923 -16.056 1.00 0.00 H new ATOM 0 HD12 ILE A 58 17.720 12.297 -16.197 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.277 13.345 -14.829 1.00 0.00 H new ATOM 963 N SER A 59 21.726 15.814 -17.603 1.00 0.00 N ATOM 964 CA SER A 59 23.076 16.256 -17.312 1.00 0.00 C ATOM 965 C SER A 59 23.365 17.634 -17.940 1.00 0.00 C ATOM 966 O SER A 59 23.961 18.501 -17.296 1.00 0.00 O ATOM 967 CB SER A 59 24.092 15.206 -17.792 1.00 0.00 C ATOM 968 OG SER A 59 25.421 15.553 -17.429 1.00 0.00 O ATOM 0 H SER A 59 21.673 14.944 -18.132 1.00 0.00 H new ATOM 0 HA SER A 59 23.173 16.366 -16.232 1.00 0.00 H new ATOM 0 HB2 SER A 59 23.840 14.235 -17.365 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.026 15.105 -18.875 1.00 0.00 H new ATOM 0 HG SER A 59 26.038 14.863 -17.749 1.00 0.00 H new ATOM 974 N GLN A 60 22.937 17.830 -19.196 1.00 0.00 N ATOM 975 CA GLN A 60 23.156 19.081 -19.897 1.00 0.00 C ATOM 976 C GLN A 60 22.407 20.216 -19.236 1.00 0.00 C ATOM 977 O GLN A 60 22.984 21.267 -18.920 1.00 0.00 O ATOM 978 CB GLN A 60 22.681 18.950 -21.317 1.00 0.00 C ATOM 979 CG GLN A 60 23.402 17.907 -22.134 1.00 0.00 C ATOM 980 CD GLN A 60 22.906 17.863 -23.562 1.00 0.00 C ATOM 981 OE1 GLN A 60 22.511 18.888 -24.128 1.00 0.00 O ATOM 982 NE2 GLN A 60 22.914 16.690 -24.158 1.00 0.00 N ATOM 0 H GLN A 60 22.436 17.128 -19.740 1.00 0.00 H new ATOM 0 HA GLN A 60 24.223 19.302 -19.870 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.617 18.712 -21.308 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.788 19.916 -21.811 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.471 18.117 -22.128 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.267 16.928 -21.673 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.248 15.866 -23.658 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.587 16.605 -25.120 1.00 0.00 H new ATOM 991 N ALA A 61 21.126 20.016 -19.036 1.00 0.00 N ATOM 992 CA ALA A 61 20.304 21.029 -18.417 1.00 0.00 C ATOM 993 C ALA A 61 20.781 21.317 -17.007 1.00 0.00 C ATOM 994 O ALA A 61 20.835 22.463 -16.608 1.00 0.00 O ATOM 995 CB ALA A 61 18.852 20.620 -18.446 1.00 0.00 C ATOM 0 H ALA A 61 20.631 19.162 -19.292 1.00 0.00 H new ATOM 0 HA ALA A 61 20.397 21.954 -18.987 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.246 21.395 -17.976 1.00 0.00 H new ATOM 0 HB2 ALA A 61 18.532 20.487 -19.479 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.727 19.683 -17.904 1.00 0.00 H new ATOM 1001 N TYR A 62 21.143 20.274 -16.256 1.00 0.00 N ATOM 1002 CA TYR A 62 21.719 20.464 -14.938 1.00 0.00 C ATOM 1003 C TYR A 62 22.991 21.302 -15.021 1.00 0.00 C ATOM 1004 O TYR A 62 23.232 22.133 -14.171 1.00 0.00 O ATOM 1005 CB TYR A 62 22.024 19.122 -14.244 1.00 0.00 C ATOM 1006 CG TYR A 62 22.757 19.291 -12.923 1.00 0.00 C ATOM 1007 CD1 TYR A 62 22.095 19.752 -11.793 1.00 0.00 C ATOM 1008 CD2 TYR A 62 24.114 19.006 -12.815 1.00 0.00 C ATOM 1009 CE1 TYR A 62 22.760 19.926 -10.593 1.00 0.00 C ATOM 1010 CE2 TYR A 62 24.785 19.175 -11.615 1.00 0.00 C ATOM 1011 CZ TYR A 62 24.105 19.636 -10.511 1.00 0.00 C ATOM 1012 OH TYR A 62 24.779 19.821 -9.320 1.00 0.00 O ATOM 0 H TYR A 62 21.046 19.300 -16.542 1.00 0.00 H new ATOM 0 HA TYR A 62 20.977 20.993 -14.339 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.090 18.589 -14.069 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.625 18.503 -14.910 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.041 19.979 -11.852 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.653 18.648 -13.680 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.228 20.287 -9.725 1.00 0.00 H new ATOM 0 HE2 TYR A 62 25.838 18.946 -11.546 1.00 0.00 H new ATOM 0 HH TYR A 62 25.719 19.568 -9.433 1.00 0.00 H new ATOM 1022 N GLU A 63 23.800 21.071 -16.055 1.00 0.00 N ATOM 1023 CA GLU A 63 25.054 21.794 -16.229 1.00 0.00 C ATOM 1024 C GLU A 63 24.837 23.304 -16.154 1.00 0.00 C ATOM 1025 O GLU A 63 25.538 24.006 -15.421 1.00 0.00 O ATOM 1026 CB GLU A 63 25.704 21.429 -17.560 1.00 0.00 C ATOM 1027 CG GLU A 63 27.059 22.075 -17.774 1.00 0.00 C ATOM 1028 CD GLU A 63 27.585 21.888 -19.176 1.00 0.00 C ATOM 1029 OE1 GLU A 63 27.875 20.744 -19.559 1.00 0.00 O ATOM 1030 OE2 GLU A 63 27.704 22.901 -19.903 1.00 0.00 O ATOM 0 H GLU A 63 23.606 20.386 -16.785 1.00 0.00 H new ATOM 0 HA GLU A 63 25.719 21.501 -15.416 1.00 0.00 H new ATOM 0 HB2 GLU A 63 25.815 20.346 -17.615 1.00 0.00 H new ATOM 0 HB3 GLU A 63 25.039 21.723 -18.372 1.00 0.00 H new ATOM 0 HG2 GLU A 63 26.986 23.141 -17.558 1.00 0.00 H new ATOM 0 HG3 GLU A 63 27.772 21.655 -17.065 1.00 0.00 H new ATOM 1037 N VAL A 64 23.886 23.790 -16.907 1.00 0.00 N ATOM 1038 CA VAL A 64 23.560 25.199 -16.909 1.00 0.00 C ATOM 1039 C VAL A 64 22.632 25.600 -15.732 1.00 0.00 C ATOM 1040 O VAL A 64 22.826 26.629 -15.123 1.00 0.00 O ATOM 1041 CB VAL A 64 22.987 25.622 -18.291 1.00 0.00 C ATOM 1042 CG1 VAL A 64 22.570 24.412 -19.089 1.00 0.00 C ATOM 1043 CG2 VAL A 64 21.838 26.575 -18.147 1.00 0.00 C ATOM 0 H VAL A 64 23.315 23.226 -17.536 1.00 0.00 H new ATOM 0 HA VAL A 64 24.485 25.753 -16.748 1.00 0.00 H new ATOM 0 HB VAL A 64 23.782 26.139 -18.828 1.00 0.00 H new ATOM 0 HG11 VAL A 64 22.172 24.731 -20.052 1.00 0.00 H new ATOM 0 HG12 VAL A 64 23.434 23.766 -19.249 1.00 0.00 H new ATOM 0 HG13 VAL A 64 21.803 23.863 -18.543 1.00 0.00 H new ATOM 0 HG21 VAL A 64 21.465 26.847 -19.134 1.00 0.00 H new ATOM 0 HG22 VAL A 64 21.040 26.100 -17.576 1.00 0.00 H new ATOM 0 HG23 VAL A 64 22.172 27.472 -17.626 1.00 0.00 H new ATOM 1053 N LEU A 65 21.649 24.762 -15.417 1.00 0.00 N ATOM 1054 CA LEU A 65 20.688 25.033 -14.331 1.00 0.00 C ATOM 1055 C LEU A 65 21.360 25.058 -12.951 1.00 0.00 C ATOM 1056 O LEU A 65 20.930 25.778 -12.060 1.00 0.00 O ATOM 1057 CB LEU A 65 19.487 24.052 -14.387 1.00 0.00 C ATOM 1058 CG LEU A 65 18.269 24.519 -15.249 1.00 0.00 C ATOM 1059 CD1 LEU A 65 18.695 25.019 -16.624 1.00 0.00 C ATOM 1060 CD2 LEU A 65 17.252 23.396 -15.406 1.00 0.00 C ATOM 0 H LEU A 65 21.489 23.878 -15.899 1.00 0.00 H new ATOM 0 HA LEU A 65 20.293 26.036 -14.490 1.00 0.00 H new ATOM 0 HB2 LEU A 65 19.840 23.097 -14.777 1.00 0.00 H new ATOM 0 HB3 LEU A 65 19.141 23.872 -13.369 1.00 0.00 H new ATOM 0 HG LEU A 65 17.810 25.351 -14.715 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.815 25.332 -17.186 1.00 0.00 H new ATOM 0 HD12 LEU A 65 19.373 25.865 -16.510 1.00 0.00 H new ATOM 0 HD13 LEU A 65 19.202 24.218 -17.161 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.414 23.746 -16.009 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.723 22.545 -15.898 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.890 23.093 -14.424 1.00 0.00 H new ATOM 1072 N SER A 66 22.422 24.281 -12.787 1.00 0.00 N ATOM 1073 CA SER A 66 23.160 24.231 -11.518 1.00 0.00 C ATOM 1074 C SER A 66 23.908 25.549 -11.258 1.00 0.00 C ATOM 1075 O SER A 66 24.380 25.791 -10.143 1.00 0.00 O ATOM 1076 CB SER A 66 24.149 23.054 -11.521 1.00 0.00 C ATOM 1077 OG SER A 66 24.747 22.861 -10.251 1.00 0.00 O ATOM 0 H SER A 66 22.798 23.673 -13.515 1.00 0.00 H new ATOM 0 HA SER A 66 22.437 24.086 -10.715 1.00 0.00 H new ATOM 0 HB2 SER A 66 23.629 22.144 -11.819 1.00 0.00 H new ATOM 0 HB3 SER A 66 24.926 23.235 -12.264 1.00 0.00 H new ATOM 0 HG SER A 66 24.725 21.909 -10.020 1.00 0.00 H new ATOM 1083 N ASP A 67 24.015 26.385 -12.280 1.00 0.00 N ATOM 1084 CA ASP A 67 24.687 27.670 -12.158 1.00 0.00 C ATOM 1085 C ASP A 67 23.797 28.771 -12.680 1.00 0.00 C ATOM 1086 O ASP A 67 23.491 28.825 -13.866 1.00 0.00 O ATOM 1087 CB ASP A 67 26.025 27.671 -12.904 1.00 0.00 C ATOM 1088 CG ASP A 67 26.747 29.002 -12.794 1.00 0.00 C ATOM 1089 OD1 ASP A 67 26.939 29.488 -11.666 1.00 0.00 O ATOM 1090 OD2 ASP A 67 27.143 29.559 -13.840 1.00 0.00 O ATOM 0 H ASP A 67 23.642 26.194 -13.210 1.00 0.00 H new ATOM 0 HA ASP A 67 24.892 27.846 -11.102 1.00 0.00 H new ATOM 0 HB2 ASP A 67 26.661 26.881 -12.505 1.00 0.00 H new ATOM 0 HB3 ASP A 67 25.852 27.440 -13.955 1.00 0.00 H new ATOM 1095 N ALA A 68 23.382 29.650 -11.786 1.00 0.00 N ATOM 1096 CA ALA A 68 22.477 30.746 -12.125 1.00 0.00 C ATOM 1097 C ALA A 68 22.982 31.554 -13.316 1.00 0.00 C ATOM 1098 O ALA A 68 22.191 32.041 -14.122 1.00 0.00 O ATOM 1099 CB ALA A 68 22.280 31.651 -10.924 1.00 0.00 C ATOM 0 H ALA A 68 23.659 29.629 -10.805 1.00 0.00 H new ATOM 0 HA ALA A 68 21.520 30.307 -12.408 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.604 32.464 -11.188 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.853 31.077 -10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.241 32.063 -10.618 1.00 0.00 H new ATOM 1105 N LYS A 69 24.294 31.676 -13.430 1.00 0.00 N ATOM 1106 CA LYS A 69 24.889 32.443 -14.503 1.00 0.00 C ATOM 1107 C LYS A 69 24.661 31.781 -15.860 1.00 0.00 C ATOM 1108 O LYS A 69 24.205 32.430 -16.794 1.00 0.00 O ATOM 1109 CB LYS A 69 26.372 32.694 -14.220 1.00 0.00 C ATOM 1110 CG LYS A 69 27.103 33.459 -15.309 1.00 0.00 C ATOM 1111 CD LYS A 69 28.498 33.862 -14.849 1.00 0.00 C ATOM 1112 CE LYS A 69 29.281 34.536 -15.958 1.00 0.00 C ATOM 1113 NZ LYS A 69 29.741 33.559 -16.973 1.00 0.00 N ATOM 0 H LYS A 69 24.965 31.252 -12.790 1.00 0.00 H new ATOM 0 HA LYS A 69 24.394 33.413 -14.549 1.00 0.00 H new ATOM 0 HB2 LYS A 69 26.461 33.246 -13.284 1.00 0.00 H new ATOM 0 HB3 LYS A 69 26.868 31.734 -14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 69 27.175 32.843 -16.205 1.00 0.00 H new ATOM 0 HG3 LYS A 69 26.534 34.349 -15.579 1.00 0.00 H new ATOM 0 HD2 LYS A 69 28.419 34.537 -13.997 1.00 0.00 H new ATOM 0 HD3 LYS A 69 29.038 32.979 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 69 28.658 35.292 -16.436 1.00 0.00 H new ATOM 0 HE3 LYS A 69 30.142 35.053 -15.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 30.344 34.041 -17.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 30.285 32.805 -16.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 28.917 33.145 -17.455 1.00 0.00 H new ATOM 1127 N LYS A 70 24.943 30.480 -15.957 1.00 0.00 N ATOM 1128 CA LYS A 70 24.723 29.759 -17.196 1.00 0.00 C ATOM 1129 C LYS A 70 23.243 29.705 -17.509 1.00 0.00 C ATOM 1130 O LYS A 70 22.828 29.818 -18.668 1.00 0.00 O ATOM 1131 CB LYS A 70 25.322 28.357 -17.124 1.00 0.00 C ATOM 1132 CG LYS A 70 26.834 28.370 -16.998 1.00 0.00 C ATOM 1133 CD LYS A 70 27.430 26.972 -16.952 1.00 0.00 C ATOM 1134 CE LYS A 70 27.210 26.229 -18.256 1.00 0.00 C ATOM 1135 NZ LYS A 70 28.112 25.058 -18.378 1.00 0.00 N ATOM 0 H LYS A 70 25.320 29.915 -15.196 1.00 0.00 H new ATOM 0 HA LYS A 70 25.227 30.290 -18.003 1.00 0.00 H new ATOM 0 HB2 LYS A 70 24.895 27.828 -16.272 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.041 27.800 -18.018 1.00 0.00 H new ATOM 0 HG2 LYS A 70 27.260 28.915 -17.840 1.00 0.00 H new ATOM 0 HG3 LYS A 70 27.115 28.910 -16.094 1.00 0.00 H new ATOM 0 HD2 LYS A 70 28.498 27.038 -16.746 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.981 26.411 -16.132 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.173 25.898 -18.316 1.00 0.00 H new ATOM 0 HE3 LYS A 70 27.377 26.906 -19.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 27.693 24.363 -19.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 29.034 25.367 -18.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.243 24.622 -17.443 1.00 0.00 H new ATOM 1149 N ARG A 71 22.453 29.537 -16.456 1.00 0.00 N ATOM 1150 CA ARG A 71 21.002 29.495 -16.553 1.00 0.00 C ATOM 1151 C ARG A 71 20.444 30.776 -17.156 1.00 0.00 C ATOM 1152 O ARG A 71 19.576 30.736 -18.024 1.00 0.00 O ATOM 1153 CB ARG A 71 20.397 29.295 -15.167 1.00 0.00 C ATOM 1154 CG ARG A 71 18.887 29.298 -15.157 1.00 0.00 C ATOM 1155 CD ARG A 71 18.338 29.182 -13.752 1.00 0.00 C ATOM 1156 NE ARG A 71 16.878 29.249 -13.745 1.00 0.00 N ATOM 1157 CZ ARG A 71 16.135 29.411 -12.654 1.00 0.00 C ATOM 1158 NH1 ARG A 71 16.709 29.519 -11.462 1.00 0.00 N ATOM 1159 NH2 ARG A 71 14.814 29.486 -12.758 1.00 0.00 N ATOM 0 H ARG A 71 22.805 29.425 -15.505 1.00 0.00 H new ATOM 0 HA ARG A 71 20.738 28.662 -17.205 1.00 0.00 H new ATOM 0 HB2 ARG A 71 20.752 28.349 -14.758 1.00 0.00 H new ATOM 0 HB3 ARG A 71 20.757 30.083 -14.506 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.522 30.217 -15.616 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.517 28.470 -15.762 1.00 0.00 H new ATOM 0 HD2 ARG A 71 18.663 28.241 -13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.744 29.982 -13.133 1.00 0.00 H new ATOM 0 HE ARG A 71 16.395 29.166 -14.640 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.725 29.478 -11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 71 16.134 29.643 -10.629 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.370 29.419 -13.674 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.243 29.610 -11.922 1.00 0.00 H new ATOM 1173 N GLU A 72 20.962 31.905 -16.714 1.00 0.00 N ATOM 1174 CA GLU A 72 20.462 33.172 -17.130 1.00 0.00 C ATOM 1175 C GLU A 72 20.797 33.427 -18.583 1.00 0.00 C ATOM 1176 O GLU A 72 19.998 33.999 -19.326 1.00 0.00 O ATOM 1177 CB GLU A 72 21.012 34.275 -16.244 1.00 0.00 C ATOM 1178 CG GLU A 72 20.397 35.606 -16.537 1.00 0.00 C ATOM 1179 CD GLU A 72 20.932 36.711 -15.667 1.00 0.00 C ATOM 1180 OE1 GLU A 72 22.003 37.262 -15.998 1.00 0.00 O ATOM 1181 OE2 GLU A 72 20.278 37.049 -14.650 1.00 0.00 O ATOM 0 H GLU A 72 21.741 31.955 -16.057 1.00 0.00 H new ATOM 0 HA GLU A 72 19.376 33.166 -17.032 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.836 34.019 -15.199 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.092 34.340 -16.378 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.573 35.858 -17.583 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.317 35.537 -16.403 1.00 0.00 H new ATOM 1188 N LEU A 73 21.974 32.983 -18.995 1.00 0.00 N ATOM 1189 CA LEU A 73 22.389 33.136 -20.353 1.00 0.00 C ATOM 1190 C LEU A 73 21.489 32.306 -21.248 1.00 0.00 C ATOM 1191 O LEU A 73 21.182 32.696 -22.374 1.00 0.00 O ATOM 1192 CB LEU A 73 23.846 32.715 -20.505 1.00 0.00 C ATOM 1193 CG LEU A 73 24.823 33.353 -19.511 1.00 0.00 C ATOM 1194 CD1 LEU A 73 26.256 33.055 -19.893 1.00 0.00 C ATOM 1195 CD2 LEU A 73 24.586 34.853 -19.381 1.00 0.00 C ATOM 0 H LEU A 73 22.651 32.514 -18.394 1.00 0.00 H new ATOM 0 HA LEU A 73 22.308 34.183 -20.646 1.00 0.00 H new ATOM 0 HB2 LEU A 73 23.906 31.632 -20.402 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.173 32.958 -21.516 1.00 0.00 H new ATOM 0 HG LEU A 73 24.638 32.908 -18.533 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.929 33.519 -19.172 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.415 31.977 -19.896 1.00 0.00 H new ATOM 0 HD13 LEU A 73 26.458 33.454 -20.887 1.00 0.00 H new ATOM 0 HD21 LEU A 73 25.296 35.273 -18.668 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.722 35.328 -20.352 1.00 0.00 H new ATOM 0 HD23 LEU A 73 23.570 35.032 -19.029 1.00 0.00 H new ATOM 1207 N TYR A 74 21.077 31.152 -20.737 1.00 0.00 N ATOM 1208 CA TYR A 74 20.159 30.266 -21.445 1.00 0.00 C ATOM 1209 C TYR A 74 18.830 30.948 -21.700 1.00 0.00 C ATOM 1210 O TYR A 74 18.332 30.959 -22.824 1.00 0.00 O ATOM 1211 CB TYR A 74 19.934 28.990 -20.635 1.00 0.00 C ATOM 1212 CG TYR A 74 18.920 28.043 -21.238 1.00 0.00 C ATOM 1213 CD1 TYR A 74 19.269 27.171 -22.260 1.00 0.00 C ATOM 1214 CD2 TYR A 74 17.608 28.024 -20.779 1.00 0.00 C ATOM 1215 CE1 TYR A 74 18.339 26.309 -22.807 1.00 0.00 C ATOM 1216 CE2 TYR A 74 16.673 27.168 -21.320 1.00 0.00 C ATOM 1217 CZ TYR A 74 17.042 26.313 -22.333 1.00 0.00 C ATOM 1218 OH TYR A 74 16.111 25.453 -22.870 1.00 0.00 O ATOM 0 H TYR A 74 21.368 30.804 -19.823 1.00 0.00 H new ATOM 0 HA TYR A 74 20.607 30.014 -22.406 1.00 0.00 H new ATOM 0 HB2 TYR A 74 20.885 28.467 -20.530 1.00 0.00 H new ATOM 0 HB3 TYR A 74 19.608 29.263 -19.631 1.00 0.00 H new ATOM 0 HD1 TYR A 74 20.283 27.167 -22.633 1.00 0.00 H new ATOM 0 HD2 TYR A 74 17.316 28.693 -19.983 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.625 25.635 -23.601 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.658 27.168 -20.951 1.00 0.00 H new ATOM 0 HH TYR A 74 15.337 25.395 -22.272 1.00 0.00 H new ATOM 1228 N ASP A 75 18.270 31.523 -20.662 1.00 0.00 N ATOM 1229 CA ASP A 75 16.993 32.224 -20.778 1.00 0.00 C ATOM 1230 C ASP A 75 17.084 33.401 -21.733 1.00 0.00 C ATOM 1231 O ASP A 75 16.148 33.668 -22.491 1.00 0.00 O ATOM 1232 CB ASP A 75 16.478 32.696 -19.407 1.00 0.00 C ATOM 1233 CG ASP A 75 15.684 31.635 -18.662 1.00 0.00 C ATOM 1234 OD1 ASP A 75 14.449 31.569 -18.869 1.00 0.00 O ATOM 1235 OD2 ASP A 75 16.267 30.887 -17.858 1.00 0.00 O ATOM 0 H ASP A 75 18.671 31.525 -19.724 1.00 0.00 H new ATOM 0 HA ASP A 75 16.280 31.507 -21.185 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.326 33.002 -18.794 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.852 33.577 -19.546 1.00 0.00 H new ATOM 1240 N LYS A 76 18.201 34.108 -21.688 1.00 0.00 N ATOM 1241 CA LYS A 76 18.405 35.287 -22.538 1.00 0.00 C ATOM 1242 C LYS A 76 18.671 34.911 -23.983 1.00 0.00 C ATOM 1243 O LYS A 76 18.105 35.507 -24.913 1.00 0.00 O ATOM 1244 CB LYS A 76 19.546 36.141 -22.009 1.00 0.00 C ATOM 1245 CG LYS A 76 19.232 36.840 -20.702 1.00 0.00 C ATOM 1246 CD LYS A 76 20.429 37.610 -20.191 1.00 0.00 C ATOM 1247 CE LYS A 76 20.100 38.329 -18.893 1.00 0.00 C ATOM 1248 NZ LYS A 76 21.275 39.022 -18.317 1.00 0.00 N ATOM 0 H LYS A 76 18.986 33.892 -21.074 1.00 0.00 H new ATOM 0 HA LYS A 76 17.480 35.862 -22.508 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.425 35.511 -21.871 1.00 0.00 H new ATOM 0 HB3 LYS A 76 19.804 36.890 -22.758 1.00 0.00 H new ATOM 0 HG2 LYS A 76 18.392 37.520 -20.843 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.925 36.105 -19.958 1.00 0.00 H new ATOM 0 HD2 LYS A 76 21.264 36.928 -20.031 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.748 38.334 -20.941 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.307 39.054 -19.074 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.716 37.610 -18.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.629 38.485 -17.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 22.023 39.092 -19.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.999 39.977 -18.010 1.00 0.00 H new ATOM 1262 N GLY A 77 19.530 33.931 -24.171 1.00 0.00 N ATOM 1263 CA GLY A 77 19.895 33.524 -25.499 1.00 0.00 C ATOM 1264 C GLY A 77 19.162 32.281 -25.946 1.00 0.00 C ATOM 1265 O GLY A 77 18.065 32.408 -26.530 1.00 0.00 O ATOM 1266 OXT GLY A 77 19.677 31.171 -25.723 1.00 0.00 O ATOM 0 H GLY A 77 19.983 33.408 -23.421 1.00 0.00 H new ATOM 0 HA2 GLY A 77 19.684 34.336 -26.195 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.969 33.342 -25.537 1.00 0.00 H new