USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 759 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 51 TYR OH : rot -53:sc= 0.0156 USER MOD Set 1.2: A 69 ASN :FLIP amide:sc= -0.27 F(o=-0.79,f=-0.25) USER MOD Set 2.1: A 26 MET CE :methyl -127:sc= -1.67 (180deg=-4.48!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= 1.13 (180deg=0.264) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -128:sc= -0.0327 (180deg=-4.99!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 133:sc= 0.38 (180deg=0.000873) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.697 F(o=-1.6,f=-0.7) USER MOD Single : A 48 SER OG : rot 180:sc= -0.147 USER MOD Single : A 59 THR OG1 : rot -126:sc= 1.24 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0638 USER MOD Single : A 76 ASN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -63:sc= 0.654 USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= -0.0344 (180deg=-0.252) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 155:sc= -0.516 (180deg=-0.695) USER MOD Single : A 104 ASN : amide:sc= -1.03 X(o=-1,f=-0.76) USER MOD Single : A 108 MET CE :methyl -175:sc= 0 (180deg=-0.0558) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.232 -20.124 15.604 1.00 0.00 N ATOM 256 CA LYS A 19 11.237 -19.333 16.319 1.00 0.00 C ATOM 257 C LYS A 19 10.494 -18.403 15.366 1.00 0.00 C ATOM 258 O LYS A 19 10.927 -18.182 14.235 1.00 0.00 O ATOM 259 CB LYS A 19 11.906 -18.517 17.428 1.00 0.00 C ATOM 260 CG LYS A 19 11.921 -19.219 18.775 1.00 0.00 C ATOM 261 CD LYS A 19 12.985 -20.303 18.827 1.00 0.00 C ATOM 262 CE LYS A 19 13.778 -20.242 20.123 1.00 0.00 C ATOM 263 NZ LYS A 19 14.968 -21.137 20.087 1.00 0.00 N ATOM 0 HA LYS A 19 10.516 -20.018 16.765 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.931 -18.292 17.134 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.387 -17.564 17.530 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.104 -18.490 19.564 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.943 -19.659 18.968 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.514 -21.282 18.733 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.661 -20.192 17.979 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.100 -19.216 20.304 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.135 -20.526 20.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.031 -21.667 20.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.877 -21.804 19.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.828 -20.566 19.962 1.00 0.00 H new ATOM 277 N TYR A 20 9.374 -17.860 15.831 1.00 0.00 N ATOM 278 CA TYR A 20 8.570 -16.953 15.020 1.00 0.00 C ATOM 279 C TYR A 20 7.855 -15.928 15.894 1.00 0.00 C ATOM 280 O TYR A 20 7.552 -16.193 17.058 1.00 0.00 O ATOM 281 CB TYR A 20 7.548 -17.741 14.198 1.00 0.00 C ATOM 282 CG TYR A 20 6.178 -17.802 14.834 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.896 -18.718 15.840 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.164 -16.942 14.429 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.645 -18.777 16.422 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.911 -16.993 15.007 1.00 0.00 C ATOM 287 CZ TYR A 20 3.656 -17.913 16.003 1.00 0.00 C ATOM 288 OH TYR A 20 2.409 -17.967 16.582 1.00 0.00 O ATOM 0 H TYR A 20 9.002 -18.032 16.765 1.00 0.00 H new ATOM 0 HA TYR A 20 9.239 -16.422 14.343 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.461 -17.288 13.211 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.917 -18.756 14.051 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.668 -19.396 16.173 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.359 -16.221 13.649 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.443 -19.497 17.202 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.135 -16.316 14.681 1.00 0.00 H new ATOM 0 HH TYR A 20 1.829 -17.291 16.174 1.00 0.00 H new ATOM 298 N ILE A 21 7.588 -14.758 15.325 1.00 0.00 N ATOM 299 CA ILE A 21 6.907 -13.693 16.051 1.00 0.00 C ATOM 300 C ILE A 21 6.053 -12.847 15.113 1.00 0.00 C ATOM 301 O ILE A 21 5.646 -11.738 15.457 1.00 0.00 O ATOM 302 CB ILE A 21 7.909 -12.779 16.780 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.900 -12.175 15.783 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.644 -13.555 17.862 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.704 -11.027 16.351 1.00 0.00 C ATOM 0 H ILE A 21 7.833 -14.523 14.363 1.00 0.00 H new ATOM 0 HA ILE A 21 6.264 -14.174 16.788 1.00 0.00 H new ATOM 0 HB ILE A 21 7.359 -11.966 17.254 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.583 -12.954 15.445 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.354 -11.827 14.906 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.349 -12.895 18.368 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.925 -13.941 18.585 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.186 -14.386 17.410 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.385 -10.648 15.589 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.029 -10.230 16.663 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.277 -11.375 17.210 1.00 0.00 H new ATOM 317 N GLY A 22 5.783 -13.380 13.924 1.00 0.00 N ATOM 318 CA GLY A 22 4.977 -12.661 12.955 1.00 0.00 C ATOM 319 C GLY A 22 5.452 -11.236 12.749 1.00 0.00 C ATOM 320 O GLY A 22 4.860 -10.295 13.279 1.00 0.00 O ATOM 0 H GLY A 22 6.108 -14.296 13.616 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.002 -13.190 12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.939 -12.650 13.287 1.00 0.00 H new ATOM 324 N ILE A 23 6.523 -11.077 11.979 1.00 0.00 N ATOM 325 CA ILE A 23 7.077 -9.756 11.706 1.00 0.00 C ATOM 326 C ILE A 23 7.749 -9.715 10.338 1.00 0.00 C ATOM 327 O ILE A 23 8.417 -10.667 9.934 1.00 0.00 O ATOM 328 CB ILE A 23 8.099 -9.341 12.780 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.304 -10.284 12.760 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.449 -9.334 14.156 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.557 -9.652 12.194 1.00 0.00 C ATOM 0 H ILE A 23 7.024 -11.845 11.533 1.00 0.00 H new ATOM 0 HA ILE A 23 6.243 -9.055 11.720 1.00 0.00 H new ATOM 0 HB ILE A 23 8.447 -8.332 12.558 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.506 -10.624 13.776 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.054 -11.167 12.171 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.184 -9.039 14.904 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.620 -8.627 14.163 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.077 -10.332 14.388 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.370 -10.378 12.211 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.373 -9.337 11.167 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.831 -8.786 12.796 1.00 0.00 H new ATOM 343 N ARG A 24 7.569 -8.605 9.630 1.00 0.00 N ATOM 344 CA ARG A 24 8.158 -8.438 8.307 1.00 0.00 C ATOM 345 C ARG A 24 9.136 -7.267 8.291 1.00 0.00 C ATOM 346 O ARG A 24 8.761 -6.129 8.571 1.00 0.00 O ATOM 347 CB ARG A 24 7.063 -8.216 7.262 1.00 0.00 C ATOM 348 CG ARG A 24 5.976 -9.278 7.284 1.00 0.00 C ATOM 349 CD ARG A 24 5.204 -9.313 5.974 1.00 0.00 C ATOM 350 NE ARG A 24 4.541 -10.597 5.764 1.00 0.00 N ATOM 351 CZ ARG A 24 3.720 -10.843 4.749 1.00 0.00 C ATOM 352 NH1 ARG A 24 3.462 -9.896 3.857 1.00 0.00 N ATOM 353 NH2 ARG A 24 3.155 -12.037 4.625 1.00 0.00 N ATOM 0 H ARG A 24 7.020 -7.808 9.951 1.00 0.00 H new ATOM 0 HA ARG A 24 8.705 -9.349 8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.608 -7.239 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.517 -8.193 6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.424 -10.254 7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.289 -9.080 8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.460 -8.516 5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.886 -9.117 5.146 1.00 0.00 H new ATOM 0 HE ARG A 24 4.718 -11.346 6.433 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.894 -8.977 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.831 -10.087 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.351 -12.767 5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.525 -12.224 3.845 1.00 0.00 H new ATOM 367 N MET A 25 10.391 -7.555 7.962 1.00 0.00 N ATOM 368 CA MET A 25 11.422 -6.525 7.908 1.00 0.00 C ATOM 369 C MET A 25 12.221 -6.623 6.613 1.00 0.00 C ATOM 370 O MET A 25 12.247 -7.669 5.966 1.00 0.00 O ATOM 371 CB MET A 25 12.361 -6.651 9.110 1.00 0.00 C ATOM 372 CG MET A 25 11.634 -6.863 10.429 1.00 0.00 C ATOM 373 SD MET A 25 12.752 -6.873 11.843 1.00 0.00 S ATOM 374 CE MET A 25 13.626 -8.413 11.574 1.00 0.00 C ATOM 0 H MET A 25 10.718 -8.492 7.729 1.00 0.00 H new ATOM 0 HA MET A 25 10.931 -5.552 7.939 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.043 -7.485 8.942 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.970 -5.750 9.181 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.893 -6.075 10.562 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.091 -7.808 10.393 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.587 -9.017 12.481 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.158 -8.958 10.754 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.666 -8.202 11.323 1.00 0.00 H new ATOM 384 N MET A 26 12.871 -5.525 6.239 1.00 0.00 N ATOM 385 CA MET A 26 13.671 -5.488 5.021 1.00 0.00 C ATOM 386 C MET A 26 15.074 -4.960 5.307 1.00 0.00 C ATOM 387 O MET A 26 15.251 -4.050 6.116 1.00 0.00 O ATOM 388 CB MET A 26 12.991 -4.615 3.965 1.00 0.00 C ATOM 389 CG MET A 26 12.871 -3.155 4.368 1.00 0.00 C ATOM 390 SD MET A 26 14.032 -2.093 3.486 1.00 0.00 S ATOM 391 CE MET A 26 13.323 -0.479 3.804 1.00 0.00 C ATOM 0 H MET A 26 12.859 -4.650 6.762 1.00 0.00 H new ATOM 0 HA MET A 26 13.756 -6.506 4.641 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.554 -4.681 3.034 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.995 -5.011 3.765 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.854 -2.812 4.178 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.043 -3.063 5.440 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.176 0.046 2.860 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.363 -0.596 4.308 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.998 0.096 4.438 1.00 0.00 H new ATOM 401 N SER A 27 16.067 -5.538 4.638 1.00 0.00 N ATOM 402 CA SER A 27 17.453 -5.127 4.824 1.00 0.00 C ATOM 403 C SER A 27 17.601 -3.618 4.655 1.00 0.00 C ATOM 404 O SER A 27 17.479 -3.091 3.549 1.00 0.00 O ATOM 405 CB SER A 27 18.360 -5.854 3.829 1.00 0.00 C ATOM 406 OG SER A 27 17.691 -6.081 2.601 1.00 0.00 O ATOM 0 H SER A 27 15.937 -6.292 3.963 1.00 0.00 H new ATOM 0 HA SER A 27 17.751 -5.392 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.259 -5.263 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.681 -6.805 4.253 1.00 0.00 H new ATOM 0 HG SER A 27 18.292 -6.545 1.982 1.00 0.00 H new ATOM 412 N LEU A 28 17.864 -2.929 5.760 1.00 0.00 N ATOM 413 CA LEU A 28 18.029 -1.480 5.736 1.00 0.00 C ATOM 414 C LEU A 28 19.370 -1.094 5.120 1.00 0.00 C ATOM 415 O LEU A 28 20.405 -1.678 5.442 1.00 0.00 O ATOM 416 CB LEU A 28 17.923 -0.911 7.152 1.00 0.00 C ATOM 417 CG LEU A 28 16.878 0.186 7.359 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.821 0.600 8.821 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.181 1.385 6.474 1.00 0.00 C ATOM 0 H LEU A 28 17.967 -3.350 6.683 1.00 0.00 H new ATOM 0 HA LEU A 28 17.233 -1.059 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.700 -1.730 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.898 -0.515 7.436 1.00 0.00 H new ATOM 0 HG LEU A 28 15.902 -0.210 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.072 1.381 8.949 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.555 -0.262 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.796 0.978 9.131 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.427 2.156 6.635 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.165 1.782 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.169 1.078 5.428 1.00 0.00 H new ATOM 431 N THR A 29 19.345 -0.104 4.232 1.00 0.00 N ATOM 432 CA THR A 29 20.558 0.361 3.572 1.00 0.00 C ATOM 433 C THR A 29 20.883 1.797 3.966 1.00 0.00 C ATOM 434 O THR A 29 20.027 2.519 4.478 1.00 0.00 O ATOM 435 CB THR A 29 20.430 0.278 2.039 1.00 0.00 C ATOM 436 OG1 THR A 29 19.489 1.251 1.573 1.00 0.00 O ATOM 437 CG2 THR A 29 19.986 -1.112 1.607 1.00 0.00 C ATOM 0 H THR A 29 18.497 0.391 3.954 1.00 0.00 H new ATOM 0 HA THR A 29 21.366 -0.294 3.898 1.00 0.00 H new ATOM 0 HB THR A 29 21.408 0.481 1.603 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.415 1.193 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.903 -1.146 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.719 -1.847 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.018 -1.339 2.052 1.00 0.00 H new ATOM 445 N SER A 30 22.124 2.206 3.724 1.00 0.00 N ATOM 446 CA SER A 30 22.562 3.556 4.057 1.00 0.00 C ATOM 447 C SER A 30 21.741 4.596 3.301 1.00 0.00 C ATOM 448 O SER A 30 21.361 5.626 3.857 1.00 0.00 O ATOM 449 CB SER A 30 24.047 3.727 3.731 1.00 0.00 C ATOM 450 OG SER A 30 24.226 4.475 2.541 1.00 0.00 O ATOM 0 H SER A 30 22.844 1.622 3.299 1.00 0.00 H new ATOM 0 HA SER A 30 22.411 3.707 5.126 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.549 4.229 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.514 2.748 3.622 1.00 0.00 H new ATOM 0 HG SER A 30 25.184 4.571 2.356 1.00 0.00 H new ATOM 456 N SER A 31 21.471 4.318 2.030 1.00 0.00 N ATOM 457 CA SER A 31 20.698 5.230 1.195 1.00 0.00 C ATOM 458 C SER A 31 19.225 5.211 1.589 1.00 0.00 C ATOM 459 O SER A 31 18.538 6.230 1.521 1.00 0.00 O ATOM 460 CB SER A 31 20.848 4.855 -0.281 1.00 0.00 C ATOM 461 OG SER A 31 20.881 6.011 -1.100 1.00 0.00 O ATOM 0 H SER A 31 21.776 3.468 1.556 1.00 0.00 H new ATOM 0 HA SER A 31 21.084 6.238 1.347 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.763 4.279 -0.422 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.019 4.215 -0.583 1.00 0.00 H new ATOM 0 HG SER A 31 20.979 5.745 -2.038 1.00 0.00 H new ATOM 467 N LYS A 32 18.745 4.043 2.003 1.00 0.00 N ATOM 468 CA LYS A 32 17.353 3.888 2.411 1.00 0.00 C ATOM 469 C LYS A 32 17.100 4.570 3.752 1.00 0.00 C ATOM 470 O LYS A 32 16.075 5.224 3.942 1.00 0.00 O ATOM 471 CB LYS A 32 16.990 2.405 2.504 1.00 0.00 C ATOM 472 CG LYS A 32 15.537 2.156 2.871 1.00 0.00 C ATOM 473 CD LYS A 32 14.599 2.578 1.752 1.00 0.00 C ATOM 474 CE LYS A 32 14.261 1.411 0.838 1.00 0.00 C ATOM 475 NZ LYS A 32 12.831 1.427 0.423 1.00 0.00 N ATOM 0 H LYS A 32 19.300 3.189 2.065 1.00 0.00 H new ATOM 0 HA LYS A 32 16.724 4.363 1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.201 1.927 1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.630 1.929 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.392 1.098 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.291 2.705 3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.682 2.985 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.061 3.375 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.896 1.447 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.480 0.474 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.641 0.616 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.224 1.367 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.628 2.310 -0.088 1.00 0.00 H new ATOM 489 N ALA A 33 18.041 4.413 4.677 1.00 0.00 N ATOM 490 CA ALA A 33 17.921 5.016 5.999 1.00 0.00 C ATOM 491 C ALA A 33 17.996 6.536 5.917 1.00 0.00 C ATOM 492 O ALA A 33 17.120 7.240 6.420 1.00 0.00 O ATOM 493 CB ALA A 33 19.004 4.480 6.924 1.00 0.00 C ATOM 0 H ALA A 33 18.895 3.873 4.535 1.00 0.00 H new ATOM 0 HA ALA A 33 16.946 4.748 6.407 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.902 4.939 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.902 3.399 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.985 4.718 6.512 1.00 0.00 H new ATOM 499 N LYS A 34 19.049 7.039 5.281 1.00 0.00 N ATOM 500 CA LYS A 34 19.240 8.476 5.133 1.00 0.00 C ATOM 501 C LYS A 34 18.007 9.128 4.514 1.00 0.00 C ATOM 502 O LYS A 34 17.724 10.299 4.761 1.00 0.00 O ATOM 503 CB LYS A 34 20.469 8.762 4.268 1.00 0.00 C ATOM 504 CG LYS A 34 21.684 9.207 5.064 1.00 0.00 C ATOM 505 CD LYS A 34 22.848 9.561 4.155 1.00 0.00 C ATOM 506 CE LYS A 34 23.625 8.322 3.735 1.00 0.00 C ATOM 507 NZ LYS A 34 24.896 8.673 3.042 1.00 0.00 N ATOM 0 H LYS A 34 19.784 6.471 4.859 1.00 0.00 H new ATOM 0 HA LYS A 34 19.395 8.900 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.723 7.864 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.219 9.534 3.541 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.423 10.071 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.983 8.412 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.476 10.076 3.269 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.515 10.253 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.846 7.716 4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.008 7.713 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.396 7.802 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.684 9.229 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.496 9.233 3.680 1.00 0.00 H new ATOM 521 N GLU A 35 17.278 8.360 3.710 1.00 0.00 N ATOM 522 CA GLU A 35 16.076 8.863 3.057 1.00 0.00 C ATOM 523 C GLU A 35 14.841 8.601 3.914 1.00 0.00 C ATOM 524 O GLU A 35 13.837 9.309 3.811 1.00 0.00 O ATOM 525 CB GLU A 35 15.904 8.212 1.683 1.00 0.00 C ATOM 526 CG GLU A 35 16.927 8.673 0.659 1.00 0.00 C ATOM 527 CD GLU A 35 16.803 10.149 0.333 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.932 10.505 -0.487 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.579 10.948 0.900 1.00 0.00 O ATOM 0 H GLU A 35 17.499 7.388 3.496 1.00 0.00 H new ATOM 0 HA GLU A 35 16.187 9.940 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.974 7.130 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.904 8.431 1.309 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.929 8.471 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.808 8.092 -0.255 1.00 0.00 H new ATOM 536 N LEU A 36 14.921 7.580 4.760 1.00 0.00 N ATOM 537 CA LEU A 36 13.810 7.223 5.636 1.00 0.00 C ATOM 538 C LEU A 36 13.540 8.329 6.651 1.00 0.00 C ATOM 539 O LEU A 36 12.416 8.487 7.130 1.00 0.00 O ATOM 540 CB LEU A 36 14.109 5.911 6.362 1.00 0.00 C ATOM 541 CG LEU A 36 13.634 4.635 5.666 1.00 0.00 C ATOM 542 CD1 LEU A 36 14.242 3.408 6.327 1.00 0.00 C ATOM 543 CD2 LEU A 36 12.114 4.553 5.682 1.00 0.00 C ATOM 0 H LEU A 36 15.743 6.985 4.858 1.00 0.00 H new ATOM 0 HA LEU A 36 12.920 7.096 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.186 5.839 6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.652 5.954 7.350 1.00 0.00 H new ATOM 0 HG LEU A 36 13.966 4.665 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.892 2.510 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.329 3.461 6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.941 3.372 7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.794 3.639 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.761 4.546 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.698 5.416 5.162 1.00 0.00 H new ATOM 555 N LYS A 37 14.576 9.095 6.974 1.00 0.00 N ATOM 556 CA LYS A 37 14.451 10.189 7.930 1.00 0.00 C ATOM 557 C LYS A 37 13.800 11.406 7.281 1.00 0.00 C ATOM 558 O LYS A 37 12.926 12.042 7.870 1.00 0.00 O ATOM 559 CB LYS A 37 15.826 10.568 8.485 1.00 0.00 C ATOM 560 CG LYS A 37 15.769 11.231 9.850 1.00 0.00 C ATOM 561 CD LYS A 37 17.015 10.933 10.668 1.00 0.00 C ATOM 562 CE LYS A 37 17.053 11.756 11.946 1.00 0.00 C ATOM 563 NZ LYS A 37 18.380 12.400 12.152 1.00 0.00 N ATOM 0 H LYS A 37 15.513 8.978 6.587 1.00 0.00 H new ATOM 0 HA LYS A 37 13.816 9.852 8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.442 9.671 8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.319 11.241 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.662 12.309 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.888 10.882 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.043 9.872 10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.902 11.144 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.279 12.523 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.824 11.115 12.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.245 13.400 12.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.886 11.914 12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.937 12.336 11.276 1.00 0.00 H new ATOM 577 N ASP A 38 14.231 11.724 6.065 1.00 0.00 N ATOM 578 CA ASP A 38 13.688 12.864 5.336 1.00 0.00 C ATOM 579 C ASP A 38 12.257 12.588 4.884 1.00 0.00 C ATOM 580 O ASP A 38 11.468 13.512 4.690 1.00 0.00 O ATOM 581 CB ASP A 38 14.565 13.186 4.125 1.00 0.00 C ATOM 582 CG ASP A 38 15.024 14.631 4.111 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.245 15.496 3.658 1.00 0.00 O ATOM 584 OD2 ASP A 38 16.162 14.898 4.551 1.00 0.00 O ATOM 0 H ASP A 38 14.954 11.208 5.564 1.00 0.00 H new ATOM 0 HA ASP A 38 13.679 13.723 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.436 12.531 4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.009 12.975 3.211 1.00 0.00 H new ATOM 589 N ARG A 39 11.931 11.310 4.716 1.00 0.00 N ATOM 590 CA ARG A 39 10.597 10.913 4.284 1.00 0.00 C ATOM 591 C ARG A 39 9.698 10.632 5.485 1.00 0.00 C ATOM 592 O ARG A 39 8.487 10.849 5.432 1.00 0.00 O ATOM 593 CB ARG A 39 10.674 9.674 3.391 1.00 0.00 C ATOM 594 CG ARG A 39 11.182 9.965 1.988 1.00 0.00 C ATOM 595 CD ARG A 39 11.692 8.705 1.307 1.00 0.00 C ATOM 596 NE ARG A 39 10.747 8.195 0.318 1.00 0.00 N ATOM 597 CZ ARG A 39 10.965 7.110 -0.417 1.00 0.00 C ATOM 598 NH1 ARG A 39 12.091 6.425 -0.274 1.00 0.00 N ATOM 599 NH2 ARG A 39 10.057 6.709 -1.297 1.00 0.00 N ATOM 0 H ARG A 39 12.573 10.533 4.873 1.00 0.00 H new ATOM 0 HA ARG A 39 10.167 11.737 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.328 8.939 3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.684 9.223 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.380 10.402 1.393 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.982 10.703 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.645 8.916 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.879 7.938 2.058 1.00 0.00 H new ATOM 0 HE ARG A 39 9.871 8.700 0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.792 6.731 0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.257 5.592 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.190 7.234 -1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.226 5.876 -1.860 1.00 0.00 H new ATOM 613 N HIS A 40 10.299 10.148 6.567 1.00 0.00 N ATOM 614 CA HIS A 40 9.553 9.837 7.782 1.00 0.00 C ATOM 615 C HIS A 40 10.132 10.583 8.980 1.00 0.00 C ATOM 616 O HIS A 40 11.188 10.219 9.499 1.00 0.00 O ATOM 617 CB HIS A 40 9.572 8.331 8.046 1.00 0.00 C ATOM 618 CG HIS A 40 9.265 7.507 6.833 1.00 0.00 C ATOM 619 ND1 HIS A 40 10.015 7.224 5.743 1.00 0.00 N flip ATOM 620 CD2 HIS A 40 8.060 6.864 6.646 1.00 0.00 C flip ATOM 621 CE1 HIS A 40 9.257 6.422 4.925 1.00 0.00 C flip ATOM 622 NE2 HIS A 40 8.082 6.219 5.493 1.00 0.00 N flip ATOM 0 H HIS A 40 11.300 9.963 6.628 1.00 0.00 H new ATOM 0 HA HIS A 40 8.522 10.160 7.639 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.553 8.050 8.428 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.848 8.098 8.826 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.228 6.884 7.334 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.571 6.022 3.972 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.321 5.660 5.107 1.00 0.00 H new ATOM 630 N ARG A 41 9.434 11.628 9.414 1.00 0.00 N ATOM 631 CA ARG A 41 9.880 12.426 10.550 1.00 0.00 C ATOM 632 C ARG A 41 9.883 11.595 11.830 1.00 0.00 C ATOM 633 O ARG A 41 10.631 11.880 12.765 1.00 0.00 O ATOM 634 CB ARG A 41 8.980 13.650 10.725 1.00 0.00 C ATOM 635 CG ARG A 41 9.530 14.676 11.703 1.00 0.00 C ATOM 636 CD ARG A 41 8.517 15.012 12.786 1.00 0.00 C ATOM 637 NE ARG A 41 8.813 14.329 14.043 1.00 0.00 N ATOM 638 CZ ARG A 41 9.796 14.688 14.861 1.00 0.00 C ATOM 639 NH1 ARG A 41 10.573 15.718 14.556 1.00 0.00 N ATOM 640 NH2 ARG A 41 10.003 14.017 15.987 1.00 0.00 N ATOM 0 H ARG A 41 8.558 11.941 8.996 1.00 0.00 H new ATOM 0 HA ARG A 41 10.899 12.759 10.351 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.836 14.126 9.755 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.999 13.323 11.069 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.441 14.291 12.162 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.803 15.584 11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.508 16.089 12.952 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.519 14.733 12.448 1.00 0.00 H new ATOM 0 HE ARG A 41 8.233 13.533 14.307 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.417 16.237 13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.327 15.992 15.186 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.407 13.224 16.225 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.758 14.294 16.614 1.00 0.00 H new ATOM 654 N ASP A 42 9.041 10.568 11.864 1.00 0.00 N ATOM 655 CA ASP A 42 8.946 9.696 13.029 1.00 0.00 C ATOM 656 C ASP A 42 10.239 8.910 13.226 1.00 0.00 C ATOM 657 O ASP A 42 10.582 8.531 14.346 1.00 0.00 O ATOM 658 CB ASP A 42 7.768 8.732 12.877 1.00 0.00 C ATOM 659 CG ASP A 42 7.720 8.089 11.505 1.00 0.00 C ATOM 660 OD1 ASP A 42 7.271 8.759 10.551 1.00 0.00 O ATOM 661 OD2 ASP A 42 8.131 6.915 11.384 1.00 0.00 O ATOM 0 H ASP A 42 8.415 10.319 11.098 1.00 0.00 H new ATOM 0 HA ASP A 42 8.783 10.321 13.907 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.838 7.954 13.637 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.837 9.270 13.056 1.00 0.00 H new ATOM 666 N PHE A 43 10.952 8.670 12.131 1.00 0.00 N ATOM 667 CA PHE A 43 12.207 7.928 12.183 1.00 0.00 C ATOM 668 C PHE A 43 13.148 8.524 13.226 1.00 0.00 C ATOM 669 O PHE A 43 13.270 9.741 13.365 1.00 0.00 O ATOM 670 CB PHE A 43 12.882 7.929 10.810 1.00 0.00 C ATOM 671 CG PHE A 43 13.452 6.595 10.422 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.623 5.570 9.994 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.817 6.366 10.483 1.00 0.00 C ATOM 674 CE1 PHE A 43 13.146 4.341 9.637 1.00 0.00 C ATOM 675 CE2 PHE A 43 15.346 5.139 10.127 1.00 0.00 C ATOM 676 CZ PHE A 43 14.508 4.126 9.702 1.00 0.00 C ATOM 0 H PHE A 43 10.683 8.978 11.197 1.00 0.00 H new ATOM 0 HA PHE A 43 11.981 6.900 12.468 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.157 8.238 10.057 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.680 8.671 10.807 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.557 5.733 9.939 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.476 7.156 10.813 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.489 3.550 9.307 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.412 4.973 10.181 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.918 3.167 9.421 1.00 0.00 H new ATOM 686 N PRO A 44 13.830 7.647 13.977 1.00 0.00 N ATOM 687 CA PRO A 44 14.773 8.062 15.020 1.00 0.00 C ATOM 688 C PRO A 44 16.033 8.697 14.443 1.00 0.00 C ATOM 689 O PRO A 44 16.106 8.978 13.247 1.00 0.00 O ATOM 690 CB PRO A 44 15.112 6.751 15.733 1.00 0.00 C ATOM 691 CG PRO A 44 14.876 5.692 14.713 1.00 0.00 C ATOM 692 CD PRO A 44 13.734 6.181 13.865 1.00 0.00 C ATOM 0 HA PRO A 44 14.348 8.822 15.676 1.00 0.00 H new ATOM 0 HB2 PRO A 44 16.146 6.744 16.078 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.482 6.603 16.610 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.768 5.527 14.109 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.631 4.741 15.187 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.830 5.850 12.831 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.776 5.812 14.230 1.00 0.00 H new ATOM 700 N ASP A 45 17.023 8.919 15.300 1.00 0.00 N ATOM 701 CA ASP A 45 18.282 9.520 14.875 1.00 0.00 C ATOM 702 C ASP A 45 19.308 8.444 14.531 1.00 0.00 C ATOM 703 O ASP A 45 20.481 8.553 14.888 1.00 0.00 O ATOM 704 CB ASP A 45 18.832 10.434 15.970 1.00 0.00 C ATOM 705 CG ASP A 45 19.967 11.311 15.478 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.262 11.274 14.265 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.558 12.035 16.305 1.00 0.00 O ATOM 0 H ASP A 45 16.978 8.692 16.293 1.00 0.00 H new ATOM 0 HA ASP A 45 18.089 10.113 13.981 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.028 11.065 16.350 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.182 9.826 16.804 1.00 0.00 H new ATOM 712 N VAL A 46 18.858 7.405 13.835 1.00 0.00 N ATOM 713 CA VAL A 46 19.737 6.309 13.443 1.00 0.00 C ATOM 714 C VAL A 46 19.585 5.987 11.961 1.00 0.00 C ATOM 715 O VAL A 46 18.680 6.491 11.295 1.00 0.00 O ATOM 716 CB VAL A 46 19.451 5.039 14.265 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.517 5.340 15.754 1.00 0.00 C ATOM 718 CG2 VAL A 46 18.096 4.456 13.890 1.00 0.00 C ATOM 0 H VAL A 46 17.890 7.299 13.531 1.00 0.00 H new ATOM 0 HA VAL A 46 20.758 6.636 13.638 1.00 0.00 H new ATOM 0 HB VAL A 46 20.217 4.298 14.035 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.312 4.430 16.319 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.511 5.708 16.007 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.775 6.098 16.005 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.910 3.559 14.480 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.316 5.190 14.090 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.090 4.201 12.830 1.00 0.00 H new ATOM 728 N ILE A 47 20.477 5.144 11.450 1.00 0.00 N ATOM 729 CA ILE A 47 20.441 4.754 10.046 1.00 0.00 C ATOM 730 C ILE A 47 21.055 3.373 9.844 1.00 0.00 C ATOM 731 O ILE A 47 21.601 3.074 8.782 1.00 0.00 O ATOM 732 CB ILE A 47 21.186 5.769 9.160 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.556 6.093 9.759 1.00 0.00 C ATOM 734 CG2 ILE A 47 20.360 7.037 8.998 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.552 6.610 8.744 1.00 0.00 C ATOM 0 H ILE A 47 21.233 4.719 11.987 1.00 0.00 H new ATOM 0 HA ILE A 47 19.392 4.730 9.752 1.00 0.00 H new ATOM 0 HB ILE A 47 21.336 5.328 8.175 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.433 6.837 10.546 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.960 5.196 10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.900 7.745 8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.405 6.792 8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.182 7.483 9.977 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.501 6.819 9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.705 5.859 7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.169 7.525 8.292 1.00 0.00 H new ATOM 747 N SER A 48 20.960 2.533 10.870 1.00 0.00 N ATOM 748 CA SER A 48 21.508 1.183 10.806 1.00 0.00 C ATOM 749 C SER A 48 20.787 0.257 11.781 1.00 0.00 C ATOM 750 O SER A 48 20.757 0.508 12.985 1.00 0.00 O ATOM 751 CB SER A 48 23.006 1.203 11.116 1.00 0.00 C ATOM 752 OG SER A 48 23.707 2.020 10.194 1.00 0.00 O ATOM 0 H SER A 48 20.509 2.763 11.755 1.00 0.00 H new ATOM 0 HA SER A 48 21.359 0.804 9.795 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.166 1.573 12.129 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.401 0.188 11.081 1.00 0.00 H new ATOM 0 HG SER A 48 24.662 2.017 10.415 1.00 0.00 H new ATOM 758 N GLY A 49 20.207 -0.815 11.251 1.00 0.00 N ATOM 759 CA GLY A 49 19.494 -1.763 12.087 1.00 0.00 C ATOM 760 C GLY A 49 18.451 -2.546 11.316 1.00 0.00 C ATOM 761 O GLY A 49 18.626 -2.825 10.130 1.00 0.00 O ATOM 0 H GLY A 49 20.218 -1.044 10.257 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.207 -2.456 12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.011 -1.229 12.906 1.00 0.00 H new ATOM 765 N ALA A 50 17.363 -2.904 11.991 1.00 0.00 N ATOM 766 CA ALA A 50 16.288 -3.660 11.361 1.00 0.00 C ATOM 767 C ALA A 50 15.025 -2.815 11.232 1.00 0.00 C ATOM 768 O ALA A 50 14.470 -2.355 12.230 1.00 0.00 O ATOM 769 CB ALA A 50 15.999 -4.927 12.153 1.00 0.00 C ATOM 0 H ALA A 50 17.203 -2.682 12.974 1.00 0.00 H new ATOM 0 HA ALA A 50 16.612 -3.938 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.194 -5.482 11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.895 -5.546 12.189 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.700 -4.662 13.167 1.00 0.00 H new ATOM 775 N TYR A 51 14.577 -2.615 9.998 1.00 0.00 N ATOM 776 CA TYR A 51 13.381 -1.822 9.738 1.00 0.00 C ATOM 777 C TYR A 51 12.140 -2.709 9.688 1.00 0.00 C ATOM 778 O TYR A 51 12.067 -3.648 8.896 1.00 0.00 O ATOM 779 CB TYR A 51 13.527 -1.055 8.423 1.00 0.00 C ATOM 780 CG TYR A 51 12.271 -0.324 8.006 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.828 0.791 8.707 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.527 -0.748 6.912 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.680 1.462 8.329 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.380 -0.083 6.526 1.00 0.00 C ATOM 785 CZ TYR A 51 9.960 1.022 7.238 1.00 0.00 C ATOM 786 OH TYR A 51 8.817 1.687 6.859 1.00 0.00 O ATOM 0 H TYR A 51 15.024 -2.991 9.162 1.00 0.00 H new ATOM 0 HA TYR A 51 13.264 -1.109 10.554 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.341 -0.336 8.520 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.810 -1.753 7.635 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.390 1.139 9.561 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.852 -1.613 6.353 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.349 2.326 8.885 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.815 -0.426 5.672 1.00 0.00 H new ATOM 0 HH TYR A 51 8.215 1.767 7.628 1.00 0.00 H new ATOM 796 N ILE A 52 11.167 -2.402 10.539 1.00 0.00 N ATOM 797 CA ILE A 52 9.928 -3.168 10.591 1.00 0.00 C ATOM 798 C ILE A 52 8.894 -2.609 9.620 1.00 0.00 C ATOM 799 O ILE A 52 8.414 -1.487 9.787 1.00 0.00 O ATOM 800 CB ILE A 52 9.331 -3.177 12.011 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.324 -3.786 13.002 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.018 -3.946 12.028 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.810 -3.830 14.424 1.00 0.00 C ATOM 0 H ILE A 52 11.213 -1.628 11.202 1.00 0.00 H new ATOM 0 HA ILE A 52 10.177 -4.190 10.304 1.00 0.00 H new ATOM 0 HB ILE A 52 9.132 -2.149 12.312 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.570 -4.799 12.682 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.249 -3.210 12.977 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.608 -3.944 13.038 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.310 -3.472 11.348 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.194 -4.974 11.710 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.567 -4.274 15.071 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.591 -2.818 14.763 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.901 -4.430 14.464 1.00 0.00 H new ATOM 815 N ILE A 53 8.555 -3.398 8.606 1.00 0.00 N ATOM 816 CA ILE A 53 7.575 -2.983 7.610 1.00 0.00 C ATOM 817 C ILE A 53 6.154 -3.271 8.083 1.00 0.00 C ATOM 818 O ILE A 53 5.207 -2.598 7.677 1.00 0.00 O ATOM 819 CB ILE A 53 7.809 -3.690 6.262 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.283 -3.596 5.861 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.922 -3.083 5.185 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.609 -4.334 4.582 1.00 0.00 C ATOM 0 H ILE A 53 8.945 -4.328 8.453 1.00 0.00 H new ATOM 0 HA ILE A 53 7.699 -1.909 7.474 1.00 0.00 H new ATOM 0 HB ILE A 53 7.548 -4.743 6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.553 -2.546 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.897 -3.996 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.099 -3.593 4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.876 -3.197 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.155 -2.024 5.076 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.670 -4.224 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.370 -5.391 4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.021 -3.919 3.763 1.00 0.00 H new ATOM 834 N GLU A 54 6.015 -4.274 8.944 1.00 0.00 N ATOM 835 CA GLU A 54 4.709 -4.650 9.472 1.00 0.00 C ATOM 836 C GLU A 54 4.840 -5.773 10.497 1.00 0.00 C ATOM 837 O GLU A 54 5.673 -6.668 10.352 1.00 0.00 O ATOM 838 CB GLU A 54 3.781 -5.087 8.337 1.00 0.00 C ATOM 839 CG GLU A 54 2.440 -5.616 8.816 1.00 0.00 C ATOM 840 CD GLU A 54 1.294 -5.209 7.909 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.187 -5.774 6.801 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.506 -4.327 8.308 1.00 0.00 O ATOM 0 H GLU A 54 6.790 -4.840 9.290 1.00 0.00 H new ATOM 0 HA GLU A 54 4.281 -3.778 9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.611 -4.240 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.278 -5.859 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.483 -6.704 8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.248 -5.249 9.824 1.00 0.00 H new ATOM 849 N VAL A 55 4.010 -5.719 11.534 1.00 0.00 N ATOM 850 CA VAL A 55 4.032 -6.731 12.584 1.00 0.00 C ATOM 851 C VAL A 55 2.715 -7.498 12.635 1.00 0.00 C ATOM 852 O VAL A 55 1.700 -6.978 13.100 1.00 0.00 O ATOM 853 CB VAL A 55 4.301 -6.102 13.964 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.372 -4.922 14.204 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.147 -7.143 15.062 1.00 0.00 C ATOM 0 H VAL A 55 3.314 -4.986 11.670 1.00 0.00 H new ATOM 0 HA VAL A 55 4.842 -7.420 12.343 1.00 0.00 H new ATOM 0 HB VAL A 55 5.327 -5.735 13.983 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.577 -4.491 15.184 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.536 -4.168 13.434 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.337 -5.261 14.166 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.341 -6.682 16.030 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.133 -7.541 15.046 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.857 -7.953 14.898 1.00 0.00 H new ATOM 865 N ILE A 56 2.739 -8.736 12.155 1.00 0.00 N ATOM 866 CA ILE A 56 1.547 -9.576 12.148 1.00 0.00 C ATOM 867 C ILE A 56 0.881 -9.596 13.519 1.00 0.00 C ATOM 868 O ILE A 56 1.534 -9.742 14.553 1.00 0.00 O ATOM 869 CB ILE A 56 1.879 -11.020 11.730 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.567 -11.034 10.363 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.615 -11.867 11.701 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.776 -10.330 9.282 1.00 0.00 C ATOM 0 H ILE A 56 3.571 -9.180 11.766 1.00 0.00 H new ATOM 0 HA ILE A 56 0.861 -9.144 11.420 1.00 0.00 H new ATOM 0 HB ILE A 56 2.563 -11.446 12.464 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.545 -10.561 10.453 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.739 -12.067 10.062 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.866 -12.885 11.404 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.163 -11.880 12.693 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.090 -11.444 10.986 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.323 -10.379 8.341 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.808 -10.816 9.165 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.627 -9.287 9.561 1.00 0.00 H new ATOM 884 N PRO A 57 -0.452 -9.447 13.532 1.00 0.00 N ATOM 885 CA PRO A 57 -1.237 -9.447 14.769 1.00 0.00 C ATOM 886 C PRO A 57 -1.286 -10.823 15.425 1.00 0.00 C ATOM 887 O PRO A 57 -0.968 -11.833 14.796 1.00 0.00 O ATOM 888 CB PRO A 57 -2.633 -9.027 14.304 1.00 0.00 C ATOM 889 CG PRO A 57 -2.692 -9.430 12.871 1.00 0.00 C ATOM 890 CD PRO A 57 -1.295 -9.269 12.338 1.00 0.00 C ATOM 0 HA PRO A 57 -0.808 -8.788 15.523 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.410 -9.522 14.887 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.783 -7.954 14.420 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.032 -10.460 12.769 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.395 -8.806 12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.069 -10.011 11.572 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.148 -8.289 11.885 1.00 0.00 H new ATOM 898 N ASP A 58 -1.686 -10.856 16.691 1.00 0.00 N ATOM 899 CA ASP A 58 -1.779 -12.109 17.431 1.00 0.00 C ATOM 900 C ASP A 58 -0.403 -12.748 17.591 1.00 0.00 C ATOM 901 O ASP A 58 -0.282 -13.968 17.710 1.00 0.00 O ATOM 902 CB ASP A 58 -2.725 -13.078 16.721 1.00 0.00 C ATOM 903 CG ASP A 58 -3.386 -14.050 17.679 1.00 0.00 C ATOM 904 OD1 ASP A 58 -2.860 -14.230 18.797 1.00 0.00 O ATOM 905 OD2 ASP A 58 -4.429 -14.630 17.310 1.00 0.00 O ATOM 0 H ASP A 58 -1.951 -10.029 17.226 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.176 -11.888 18.422 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.494 -12.511 16.196 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.170 -13.636 15.967 1.00 0.00 H new ATOM 910 N THR A 59 0.634 -11.916 17.592 1.00 0.00 N ATOM 911 CA THR A 59 2.002 -12.400 17.735 1.00 0.00 C ATOM 912 C THR A 59 2.654 -11.839 18.994 1.00 0.00 C ATOM 913 O THR A 59 2.261 -10.795 19.514 1.00 0.00 O ATOM 914 CB THR A 59 2.861 -12.023 16.514 1.00 0.00 C ATOM 915 OG1 THR A 59 3.009 -10.601 16.439 1.00 0.00 O ATOM 916 CG2 THR A 59 2.232 -12.541 15.229 1.00 0.00 C ATOM 0 H THR A 59 0.553 -10.904 17.495 1.00 0.00 H new ATOM 0 HA THR A 59 1.948 -13.486 17.810 1.00 0.00 H new ATOM 0 HB THR A 59 3.842 -12.484 16.631 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.723 -10.289 15.555 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.857 -12.263 14.380 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.148 -13.627 15.277 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.240 -12.105 15.108 1.00 0.00 H new ATOM 924 N PRO A 60 3.676 -12.548 19.497 1.00 0.00 N ATOM 925 CA PRO A 60 4.406 -12.139 20.701 1.00 0.00 C ATOM 926 C PRO A 60 5.255 -10.893 20.469 1.00 0.00 C ATOM 927 O PRO A 60 5.830 -10.340 21.405 1.00 0.00 O ATOM 928 CB PRO A 60 5.298 -13.346 21.002 1.00 0.00 C ATOM 929 CG PRO A 60 5.479 -14.021 19.686 1.00 0.00 C ATOM 930 CD PRO A 60 4.199 -13.802 18.929 1.00 0.00 C ATOM 0 HA PRO A 60 3.732 -11.876 21.517 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.255 -13.036 21.423 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.831 -14.012 21.728 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.328 -13.602 19.146 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.678 -15.085 19.817 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.376 -13.714 17.857 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.502 -14.628 19.070 1.00 0.00 H new ATOM 938 N ALA A 61 5.329 -10.458 19.215 1.00 0.00 N ATOM 939 CA ALA A 61 6.105 -9.276 18.861 1.00 0.00 C ATOM 940 C ALA A 61 5.229 -8.029 18.841 1.00 0.00 C ATOM 941 O ALA A 61 5.668 -6.945 19.222 1.00 0.00 O ATOM 942 CB ALA A 61 6.779 -9.473 17.511 1.00 0.00 C ATOM 0 H ALA A 61 4.861 -10.907 18.428 1.00 0.00 H new ATOM 0 HA ALA A 61 6.873 -9.135 19.621 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.355 -8.583 17.259 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.445 -10.335 17.559 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.020 -9.643 16.747 1.00 0.00 H new ATOM 948 N GLU A 62 3.988 -8.190 18.393 1.00 0.00 N ATOM 949 CA GLU A 62 3.050 -7.075 18.322 1.00 0.00 C ATOM 950 C GLU A 62 2.749 -6.528 19.715 1.00 0.00 C ATOM 951 O GLU A 62 2.778 -5.319 19.938 1.00 0.00 O ATOM 952 CB GLU A 62 1.752 -7.514 17.643 1.00 0.00 C ATOM 953 CG GLU A 62 0.512 -6.844 18.210 1.00 0.00 C ATOM 954 CD GLU A 62 -0.676 -6.924 17.271 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.643 -6.260 16.214 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.638 -7.652 17.593 1.00 0.00 O ATOM 0 H GLU A 62 3.609 -9.081 18.074 1.00 0.00 H new ATOM 0 HA GLU A 62 3.510 -6.283 17.731 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.818 -7.296 16.577 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.648 -8.595 17.741 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.252 -7.313 19.159 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.733 -5.798 18.421 1.00 0.00 H new ATOM 963 N ALA A 63 2.460 -7.429 20.648 1.00 0.00 N ATOM 964 CA ALA A 63 2.155 -7.038 22.019 1.00 0.00 C ATOM 965 C ALA A 63 3.406 -6.553 22.743 1.00 0.00 C ATOM 966 O ALA A 63 3.347 -5.631 23.555 1.00 0.00 O ATOM 967 CB ALA A 63 1.525 -8.201 22.771 1.00 0.00 C ATOM 0 H ALA A 63 2.431 -8.435 20.480 1.00 0.00 H new ATOM 0 HA ALA A 63 1.444 -6.213 21.986 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.302 -7.895 23.793 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.603 -8.500 22.273 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.218 -9.042 22.787 1.00 0.00 H new ATOM 973 N GLY A 64 4.539 -7.181 22.443 1.00 0.00 N ATOM 974 CA GLY A 64 5.789 -6.799 23.075 1.00 0.00 C ATOM 975 C GLY A 64 6.064 -5.313 22.964 1.00 0.00 C ATOM 976 O GLY A 64 6.707 -4.727 23.834 1.00 0.00 O ATOM 0 H GLY A 64 4.614 -7.947 21.774 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.762 -7.083 24.127 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.608 -7.352 22.616 1.00 0.00 H new ATOM 980 N GLY A 65 5.578 -4.701 21.888 1.00 0.00 N ATOM 981 CA GLY A 65 5.788 -3.280 21.685 1.00 0.00 C ATOM 982 C GLY A 65 6.268 -2.959 20.283 1.00 0.00 C ATOM 983 O GLY A 65 6.166 -1.818 19.830 1.00 0.00 O ATOM 0 H GLY A 65 5.043 -5.164 21.154 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.857 -2.747 21.878 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.519 -2.917 22.408 1.00 0.00 H new ATOM 987 N LEU A 66 6.796 -3.966 19.596 1.00 0.00 N ATOM 988 CA LEU A 66 7.296 -3.785 18.237 1.00 0.00 C ATOM 989 C LEU A 66 6.197 -3.265 17.317 1.00 0.00 C ATOM 990 O LEU A 66 5.255 -3.987 16.987 1.00 0.00 O ATOM 991 CB LEU A 66 7.848 -5.106 17.697 1.00 0.00 C ATOM 992 CG LEU A 66 9.079 -5.662 18.413 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.592 -6.906 17.704 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.171 -4.605 18.496 1.00 0.00 C ATOM 0 H LEU A 66 6.889 -4.915 19.957 1.00 0.00 H new ATOM 0 HA LEU A 66 8.098 -3.047 18.266 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.056 -5.854 17.744 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.095 -4.970 16.644 1.00 0.00 H new ATOM 0 HG LEU A 66 8.791 -5.939 19.427 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.468 -7.288 18.228 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.813 -7.668 17.697 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.863 -6.655 16.679 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.039 -5.019 19.009 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.456 -4.297 17.490 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.800 -3.742 19.049 1.00 0.00 H new ATOM 1006 N LYS A 67 6.324 -2.009 16.904 1.00 0.00 N ATOM 1007 CA LYS A 67 5.344 -1.391 16.018 1.00 0.00 C ATOM 1008 C LYS A 67 5.961 -1.076 14.659 1.00 0.00 C ATOM 1009 O LYS A 67 7.174 -0.909 14.543 1.00 0.00 O ATOM 1010 CB LYS A 67 4.791 -0.111 16.648 1.00 0.00 C ATOM 1011 CG LYS A 67 3.648 -0.355 17.618 1.00 0.00 C ATOM 1012 CD LYS A 67 2.310 -0.416 16.899 1.00 0.00 C ATOM 1013 CE LYS A 67 1.220 -0.979 17.797 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.137 -1.634 17.012 1.00 0.00 N ATOM 0 H LYS A 67 7.097 -1.398 17.169 1.00 0.00 H new ATOM 0 HA LYS A 67 4.528 -2.098 15.872 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.597 0.404 17.171 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.448 0.555 15.856 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.817 -1.289 18.154 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.626 0.440 18.363 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.029 0.583 16.566 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.403 -1.035 16.006 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.656 -1.701 18.487 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.796 -0.176 18.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.586 -2.005 17.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.296 -0.939 16.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.536 -2.416 16.455 1.00 0.00 H new ATOM 1028 N GLU A 68 5.117 -0.996 13.635 1.00 0.00 N ATOM 1029 CA GLU A 68 5.581 -0.700 12.285 1.00 0.00 C ATOM 1030 C GLU A 68 6.451 0.554 12.271 1.00 0.00 C ATOM 1031 O GLU A 68 6.317 1.424 13.130 1.00 0.00 O ATOM 1032 CB GLU A 68 4.391 -0.518 11.340 1.00 0.00 C ATOM 1033 CG GLU A 68 4.740 -0.722 9.876 1.00 0.00 C ATOM 1034 CD GLU A 68 3.513 -0.772 8.986 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.587 -1.551 9.294 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.480 -0.032 7.980 1.00 0.00 O ATOM 0 H GLU A 68 4.109 -1.132 13.715 1.00 0.00 H new ATOM 0 HA GLU A 68 6.182 -1.543 11.943 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.606 -1.221 11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.983 0.484 11.471 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.391 0.087 9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.302 -1.649 9.766 1.00 0.00 H new ATOM 1043 N ASN A 69 7.343 0.638 11.289 1.00 0.00 N ATOM 1044 CA ASN A 69 8.236 1.784 11.163 1.00 0.00 C ATOM 1045 C ASN A 69 9.165 1.885 12.369 1.00 0.00 C ATOM 1046 O ASN A 69 9.338 2.960 12.944 1.00 0.00 O ATOM 1047 CB ASN A 69 7.426 3.074 11.020 1.00 0.00 C ATOM 1048 CG ASN A 69 6.198 2.892 10.149 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.384 2.289 8.981 1.00 0.00 O flip ATOM 1050 ND2 ASN A 69 5.094 3.289 10.524 1.00 0.00 N flip ATOM 0 H ASN A 69 7.466 -0.074 10.569 1.00 0.00 H new ATOM 0 HA ASN A 69 8.844 1.643 10.269 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.120 3.419 12.008 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.059 3.852 10.593 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.998 3.747 11.430 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.276 3.159 9.928 1.00 0.00 H new ATOM 1057 N ASP A 70 9.759 0.759 12.747 1.00 0.00 N ATOM 1058 CA ASP A 70 10.672 0.720 13.883 1.00 0.00 C ATOM 1059 C ASP A 70 12.107 0.483 13.421 1.00 0.00 C ATOM 1060 O ASP A 70 12.344 0.085 12.280 1.00 0.00 O ATOM 1061 CB ASP A 70 10.253 -0.376 14.865 1.00 0.00 C ATOM 1062 CG ASP A 70 9.736 0.187 16.174 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.128 1.277 16.152 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.940 -0.463 17.221 1.00 0.00 O ATOM 0 H ASP A 70 9.625 -0.139 12.283 1.00 0.00 H new ATOM 0 HA ASP A 70 10.626 1.686 14.386 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.480 -0.993 14.408 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.105 -1.027 15.064 1.00 0.00 H new ATOM 1069 N VAL A 71 13.060 0.732 14.313 1.00 0.00 N ATOM 1070 CA VAL A 71 14.471 0.546 13.997 1.00 0.00 C ATOM 1071 C VAL A 71 15.237 0.006 15.199 1.00 0.00 C ATOM 1072 O VAL A 71 15.595 0.757 16.107 1.00 0.00 O ATOM 1073 CB VAL A 71 15.121 1.865 13.537 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.531 1.614 13.024 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.268 2.536 12.471 1.00 0.00 C ATOM 0 H VAL A 71 12.880 1.063 15.261 1.00 0.00 H new ATOM 0 HA VAL A 71 14.521 -0.178 13.184 1.00 0.00 H new ATOM 0 HB VAL A 71 15.186 2.537 14.393 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.975 2.557 12.703 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.136 1.180 13.820 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.494 0.925 12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.742 3.466 12.158 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.170 1.872 11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.280 2.752 12.878 1.00 0.00 H new ATOM 1085 N ILE A 72 15.486 -1.299 15.197 1.00 0.00 N ATOM 1086 CA ILE A 72 16.212 -1.939 16.288 1.00 0.00 C ATOM 1087 C ILE A 72 17.687 -1.554 16.267 1.00 0.00 C ATOM 1088 O ILE A 72 18.357 -1.677 15.241 1.00 0.00 O ATOM 1089 CB ILE A 72 16.092 -3.473 16.219 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.623 -3.895 16.281 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.882 -4.117 17.349 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.370 -5.283 15.735 1.00 0.00 C ATOM 0 H ILE A 72 15.196 -1.934 14.453 1.00 0.00 H new ATOM 0 HA ILE A 72 15.761 -1.588 17.216 1.00 0.00 H new ATOM 0 HB ILE A 72 16.508 -3.813 15.271 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.285 -3.853 17.316 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.023 -3.178 15.721 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.788 -5.201 17.287 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.932 -3.839 17.263 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.493 -3.773 18.307 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.308 -5.516 15.811 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.677 -5.324 14.690 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.943 -6.010 16.311 1.00 0.00 H new ATOM 1104 N ILE A 73 18.187 -1.088 17.406 1.00 0.00 N ATOM 1105 CA ILE A 73 19.584 -0.687 17.520 1.00 0.00 C ATOM 1106 C ILE A 73 20.385 -1.709 18.320 1.00 0.00 C ATOM 1107 O ILE A 73 21.598 -1.833 18.150 1.00 0.00 O ATOM 1108 CB ILE A 73 19.721 0.693 18.188 1.00 0.00 C ATOM 1109 CG1 ILE A 73 18.953 0.723 19.510 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.221 1.786 17.254 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.764 1.259 20.669 1.00 0.00 C ATOM 0 H ILE A 73 17.646 -0.979 18.263 1.00 0.00 H new ATOM 0 HA ILE A 73 19.980 -0.631 16.506 1.00 0.00 H new ATOM 0 HB ILE A 73 20.775 0.875 18.398 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.060 1.336 19.388 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.617 -0.286 19.748 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.324 2.756 17.741 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.808 1.776 16.336 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.172 1.609 17.016 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.156 1.251 21.573 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.644 0.633 20.818 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.078 2.280 20.452 1.00 0.00 H new ATOM 1123 N SER A 74 19.698 -2.440 19.193 1.00 0.00 N ATOM 1124 CA SER A 74 20.346 -3.449 20.021 1.00 0.00 C ATOM 1125 C SER A 74 19.331 -4.471 20.526 1.00 0.00 C ATOM 1126 O SER A 74 18.137 -4.185 20.610 1.00 0.00 O ATOM 1127 CB SER A 74 21.055 -2.790 21.205 1.00 0.00 C ATOM 1128 OG SER A 74 21.527 -3.761 22.123 1.00 0.00 O ATOM 0 H SER A 74 18.693 -2.352 19.344 1.00 0.00 H new ATOM 0 HA SER A 74 21.084 -3.967 19.408 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.890 -2.190 20.844 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.369 -2.110 21.711 1.00 0.00 H new ATOM 0 HG SER A 74 21.978 -3.314 22.869 1.00 0.00 H new ATOM 1134 N ILE A 75 19.816 -5.661 20.861 1.00 0.00 N ATOM 1135 CA ILE A 75 18.953 -6.725 21.359 1.00 0.00 C ATOM 1136 C ILE A 75 19.693 -7.615 22.351 1.00 0.00 C ATOM 1137 O ILE A 75 20.761 -8.145 22.048 1.00 0.00 O ATOM 1138 CB ILE A 75 18.412 -7.595 20.209 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.625 -6.736 19.217 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.539 -8.714 20.758 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.069 -7.519 18.048 1.00 0.00 C ATOM 0 H ILE A 75 20.802 -5.913 20.797 1.00 0.00 H new ATOM 0 HA ILE A 75 18.116 -6.242 21.863 1.00 0.00 H new ATOM 0 HB ILE A 75 19.255 -8.043 19.683 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.803 -6.250 19.742 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.273 -5.946 18.839 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.164 -9.320 19.934 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.128 -9.339 21.429 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.699 -8.285 21.305 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.523 -6.846 17.386 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.888 -7.983 17.499 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.395 -8.292 18.416 1.00 0.00 H new ATOM 1153 N ASN A 76 19.117 -7.777 23.538 1.00 0.00 N ATOM 1154 CA ASN A 76 19.722 -8.605 24.575 1.00 0.00 C ATOM 1155 C ASN A 76 21.067 -8.033 25.012 1.00 0.00 C ATOM 1156 O ASN A 76 21.939 -8.761 25.485 1.00 0.00 O ATOM 1157 CB ASN A 76 19.904 -10.038 24.071 1.00 0.00 C ATOM 1158 CG ASN A 76 19.274 -11.061 24.996 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.635 -11.159 26.169 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.326 -11.829 24.471 1.00 0.00 N ATOM 0 H ASN A 76 18.232 -7.346 23.806 1.00 0.00 H new ATOM 0 HA ASN A 76 19.053 -8.612 25.436 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.463 -10.130 23.078 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.968 -10.252 23.968 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.865 -12.535 25.045 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.059 -11.713 23.494 1.00 0.00 H new ATOM 1167 N GLY A 77 21.228 -6.723 24.850 1.00 0.00 N ATOM 1168 CA GLY A 77 22.469 -6.075 25.233 1.00 0.00 C ATOM 1169 C GLY A 77 23.529 -6.171 24.155 1.00 0.00 C ATOM 1170 O GLY A 77 24.722 -6.054 24.437 1.00 0.00 O ATOM 0 H GLY A 77 20.521 -6.099 24.460 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.274 -5.026 25.454 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.845 -6.530 26.150 1.00 0.00 H new ATOM 1174 N GLN A 78 23.095 -6.386 22.917 1.00 0.00 N ATOM 1175 CA GLN A 78 24.017 -6.500 21.793 1.00 0.00 C ATOM 1176 C GLN A 78 23.554 -5.642 20.620 1.00 0.00 C ATOM 1177 O GLN A 78 22.454 -5.827 20.100 1.00 0.00 O ATOM 1178 CB GLN A 78 24.143 -7.960 21.355 1.00 0.00 C ATOM 1179 CG GLN A 78 25.521 -8.552 21.601 1.00 0.00 C ATOM 1180 CD GLN A 78 26.500 -8.235 20.488 1.00 0.00 C ATOM 1181 OE1 GLN A 78 26.520 -7.122 19.962 1.00 0.00 O ATOM 1182 NE2 GLN A 78 27.319 -9.214 20.123 1.00 0.00 N ATOM 0 H GLN A 78 22.111 -6.485 22.667 1.00 0.00 H new ATOM 0 HA GLN A 78 24.993 -6.141 22.119 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.401 -8.555 21.887 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.909 -8.033 20.293 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.913 -8.171 22.544 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.434 -9.633 21.706 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.268 -10.121 20.586 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.000 -9.059 19.379 1.00 0.00 H new ATOM 1191 N SER A 79 24.401 -4.704 20.208 1.00 0.00 N ATOM 1192 CA SER A 79 24.077 -3.816 19.099 1.00 0.00 C ATOM 1193 C SER A 79 24.019 -4.587 17.784 1.00 0.00 C ATOM 1194 O SER A 79 24.930 -5.348 17.456 1.00 0.00 O ATOM 1195 CB SER A 79 25.110 -2.692 18.999 1.00 0.00 C ATOM 1196 OG SER A 79 25.225 -1.994 20.226 1.00 0.00 O ATOM 0 H SER A 79 25.317 -4.540 20.626 1.00 0.00 H new ATOM 0 HA SER A 79 23.095 -3.382 19.289 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.079 -3.108 18.722 1.00 0.00 H new ATOM 0 HB3 SER A 79 24.822 -1.999 18.208 1.00 0.00 H new ATOM 0 HG SER A 79 25.893 -1.282 20.136 1.00 0.00 H new ATOM 1202 N VAL A 80 22.941 -4.384 17.033 1.00 0.00 N ATOM 1203 CA VAL A 80 22.763 -5.059 15.753 1.00 0.00 C ATOM 1204 C VAL A 80 22.859 -4.073 14.594 1.00 0.00 C ATOM 1205 O VAL A 80 22.624 -2.876 14.762 1.00 0.00 O ATOM 1206 CB VAL A 80 21.406 -5.785 15.684 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.262 -6.759 16.844 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.265 -4.779 15.677 1.00 0.00 C ATOM 0 H VAL A 80 22.178 -3.758 17.289 1.00 0.00 H new ATOM 0 HA VAL A 80 23.564 -5.794 15.669 1.00 0.00 H new ATOM 0 HB VAL A 80 21.364 -6.355 14.756 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.297 -7.263 16.779 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.061 -7.499 16.799 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.324 -6.214 17.786 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.313 -5.308 15.628 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.301 -4.181 16.588 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.362 -4.125 14.810 1.00 0.00 H new ATOM 1218 N VAL A 81 23.204 -4.584 13.416 1.00 0.00 N ATOM 1219 CA VAL A 81 23.329 -3.749 12.227 1.00 0.00 C ATOM 1220 C VAL A 81 22.770 -4.456 10.998 1.00 0.00 C ATOM 1221 O VAL A 81 23.163 -4.163 9.869 1.00 0.00 O ATOM 1222 CB VAL A 81 24.797 -3.366 11.963 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.262 -2.314 12.958 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.688 -4.598 12.021 1.00 0.00 C ATOM 0 H VAL A 81 23.402 -5.572 13.260 1.00 0.00 H new ATOM 0 HA VAL A 81 22.753 -2.843 12.414 1.00 0.00 H new ATOM 0 HB VAL A 81 24.869 -2.941 10.962 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.302 -2.056 12.756 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.642 -1.423 12.862 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.176 -2.708 13.971 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.722 -4.309 11.832 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.614 -5.055 13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.368 -5.315 11.265 1.00 0.00 H new ATOM 1234 N SER A 82 21.851 -5.388 11.225 1.00 0.00 N ATOM 1235 CA SER A 82 21.239 -6.141 10.135 1.00 0.00 C ATOM 1236 C SER A 82 19.984 -6.865 10.613 1.00 0.00 C ATOM 1237 O SER A 82 19.971 -7.466 11.686 1.00 0.00 O ATOM 1238 CB SER A 82 22.236 -7.149 9.561 1.00 0.00 C ATOM 1239 OG SER A 82 22.969 -7.786 10.594 1.00 0.00 O ATOM 0 H SER A 82 21.513 -5.641 12.154 1.00 0.00 H new ATOM 0 HA SER A 82 20.955 -5.436 9.353 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.704 -7.897 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.922 -6.641 8.884 1.00 0.00 H new ATOM 0 HG SER A 82 23.598 -8.427 10.201 1.00 0.00 H new ATOM 1245 N ALA A 83 18.930 -6.801 9.806 1.00 0.00 N ATOM 1246 CA ALA A 83 17.670 -7.452 10.144 1.00 0.00 C ATOM 1247 C ALA A 83 17.862 -8.952 10.340 1.00 0.00 C ATOM 1248 O ALA A 83 17.077 -9.602 11.029 1.00 0.00 O ATOM 1249 CB ALA A 83 16.633 -7.188 9.062 1.00 0.00 C ATOM 0 H ALA A 83 18.923 -6.306 8.914 1.00 0.00 H new ATOM 0 HA ALA A 83 17.313 -7.032 11.085 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.697 -7.680 9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.466 -6.115 8.972 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.992 -7.580 8.110 1.00 0.00 H new ATOM 1255 N ASN A 84 18.910 -9.495 9.729 1.00 0.00 N ATOM 1256 CA ASN A 84 19.204 -10.919 9.836 1.00 0.00 C ATOM 1257 C ASN A 84 19.807 -11.249 11.198 1.00 0.00 C ATOM 1258 O ASN A 84 19.701 -12.378 11.678 1.00 0.00 O ATOM 1259 CB ASN A 84 20.163 -11.348 8.724 1.00 0.00 C ATOM 1260 CG ASN A 84 19.440 -11.976 7.548 1.00 0.00 C ATOM 1261 OD1 ASN A 84 19.785 -13.072 7.106 1.00 0.00 O ATOM 1262 ND2 ASN A 84 18.431 -11.282 7.034 1.00 0.00 N ATOM 0 H ASN A 84 19.570 -8.970 9.155 1.00 0.00 H new ATOM 0 HA ASN A 84 18.268 -11.467 9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.727 -10.481 8.380 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.885 -12.059 9.125 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.908 -11.654 6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 84 18.179 -10.377 7.432 1.00 0.00 H new ATOM 1269 N ASP A 85 20.438 -10.257 11.815 1.00 0.00 N ATOM 1270 CA ASP A 85 21.057 -10.440 13.123 1.00 0.00 C ATOM 1271 C ASP A 85 20.004 -10.445 14.227 1.00 0.00 C ATOM 1272 O ASP A 85 20.038 -11.283 15.128 1.00 0.00 O ATOM 1273 CB ASP A 85 22.084 -9.337 13.385 1.00 0.00 C ATOM 1274 CG ASP A 85 23.498 -9.771 13.051 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.655 -10.716 12.250 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.447 -9.166 13.593 1.00 0.00 O ATOM 0 H ASP A 85 20.535 -9.317 11.431 1.00 0.00 H new ATOM 0 HA ASP A 85 21.564 -11.405 13.125 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.828 -8.458 12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.036 -9.041 14.433 1.00 0.00 H new ATOM 1281 N VAL A 86 19.070 -9.502 14.150 1.00 0.00 N ATOM 1282 CA VAL A 86 18.007 -9.397 15.142 1.00 0.00 C ATOM 1283 C VAL A 86 17.128 -10.642 15.140 1.00 0.00 C ATOM 1284 O VAL A 86 16.493 -10.968 16.143 1.00 0.00 O ATOM 1285 CB VAL A 86 17.125 -8.159 14.891 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.941 -6.884 15.036 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.480 -8.235 13.516 1.00 0.00 C ATOM 0 H VAL A 86 19.028 -8.800 13.411 1.00 0.00 H new ATOM 0 HA VAL A 86 18.490 -9.299 16.114 1.00 0.00 H new ATOM 0 HB VAL A 86 16.332 -8.142 15.639 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.301 -6.020 14.855 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.351 -6.827 16.044 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.756 -6.890 14.313 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.861 -7.353 13.355 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.256 -8.277 12.752 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.860 -9.130 13.454 1.00 0.00 H new ATOM 1297 N SER A 87 17.096 -11.335 14.006 1.00 0.00 N ATOM 1298 CA SER A 87 16.292 -12.544 13.872 1.00 0.00 C ATOM 1299 C SER A 87 17.003 -13.742 14.496 1.00 0.00 C ATOM 1300 O SER A 87 16.365 -14.714 14.901 1.00 0.00 O ATOM 1301 CB SER A 87 15.997 -12.824 12.397 1.00 0.00 C ATOM 1302 OG SER A 87 17.040 -13.577 11.802 1.00 0.00 O ATOM 0 H SER A 87 17.617 -11.080 13.167 1.00 0.00 H new ATOM 0 HA SER A 87 15.352 -12.386 14.400 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.056 -13.367 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.874 -11.882 11.862 1.00 0.00 H new ATOM 0 HG SER A 87 17.872 -13.059 11.825 1.00 0.00 H new ATOM 1308 N ASP A 88 18.327 -13.663 14.569 1.00 0.00 N ATOM 1309 CA ASP A 88 19.126 -14.739 15.144 1.00 0.00 C ATOM 1310 C ASP A 88 18.864 -14.870 16.642 1.00 0.00 C ATOM 1311 O ASP A 88 18.753 -15.977 17.169 1.00 0.00 O ATOM 1312 CB ASP A 88 20.614 -14.488 14.894 1.00 0.00 C ATOM 1313 CG ASP A 88 21.321 -15.708 14.338 1.00 0.00 C ATOM 1314 OD1 ASP A 88 21.496 -16.688 15.093 1.00 0.00 O ATOM 1315 OD2 ASP A 88 21.699 -15.683 13.148 1.00 0.00 O ATOM 0 H ASP A 88 18.870 -12.865 14.237 1.00 0.00 H new ATOM 0 HA ASP A 88 18.837 -15.672 14.660 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.727 -13.657 14.198 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.091 -14.189 15.827 1.00 0.00 H new ATOM 1320 N VAL A 89 18.767 -13.732 17.322 1.00 0.00 N ATOM 1321 CA VAL A 89 18.519 -13.719 18.759 1.00 0.00 C ATOM 1322 C VAL A 89 17.196 -14.397 19.094 1.00 0.00 C ATOM 1323 O VAL A 89 17.011 -14.909 20.198 1.00 0.00 O ATOM 1324 CB VAL A 89 18.500 -12.281 19.312 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.305 -12.292 20.820 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.781 -11.550 18.937 1.00 0.00 C ATOM 0 H VAL A 89 18.856 -12.807 16.901 1.00 0.00 H new ATOM 0 HA VAL A 89 19.335 -14.270 19.226 1.00 0.00 H new ATOM 0 HB VAL A 89 17.660 -11.749 18.865 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.294 -11.268 21.193 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.359 -12.776 21.061 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.122 -12.840 21.289 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.751 -10.536 19.335 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.637 -12.079 19.355 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.873 -11.511 17.852 1.00 0.00 H new ATOM 1336 N ILE A 90 16.278 -14.398 18.133 1.00 0.00 N ATOM 1337 CA ILE A 90 14.972 -15.016 18.326 1.00 0.00 C ATOM 1338 C ILE A 90 15.104 -16.513 18.584 1.00 0.00 C ATOM 1339 O ILE A 90 14.459 -17.060 19.478 1.00 0.00 O ATOM 1340 CB ILE A 90 14.059 -14.796 17.105 1.00 0.00 C ATOM 1341 CG1 ILE A 90 14.000 -13.310 16.746 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.664 -15.336 17.382 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.123 -13.011 15.550 1.00 0.00 C ATOM 0 H ILE A 90 16.415 -13.978 17.214 1.00 0.00 H new ATOM 0 HA ILE A 90 14.523 -14.538 19.197 1.00 0.00 H new ATOM 0 HB ILE A 90 14.475 -15.339 16.256 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.630 -12.751 17.606 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.010 -12.953 16.544 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.031 -15.173 16.510 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.723 -16.404 17.593 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.238 -14.819 18.242 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.129 -11.939 15.354 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.504 -13.542 14.678 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.103 -13.337 15.756 1.00 0.00 H new ATOM 1355 N LYS A 91 15.947 -17.172 17.796 1.00 0.00 N ATOM 1356 CA LYS A 91 16.169 -18.605 17.940 1.00 0.00 C ATOM 1357 C LYS A 91 17.333 -18.884 18.885 1.00 0.00 C ATOM 1358 O LYS A 91 17.447 -19.977 19.440 1.00 0.00 O ATOM 1359 CB LYS A 91 16.444 -19.240 16.574 1.00 0.00 C ATOM 1360 CG LYS A 91 17.828 -18.933 16.029 1.00 0.00 C ATOM 1361 CD LYS A 91 17.767 -18.458 14.587 1.00 0.00 C ATOM 1362 CE LYS A 91 18.027 -19.598 13.613 1.00 0.00 C ATOM 1363 NZ LYS A 91 19.443 -20.056 13.662 1.00 0.00 N ATOM 0 H LYS A 91 16.488 -16.735 17.050 1.00 0.00 H new ATOM 0 HA LYS A 91 15.266 -19.045 18.364 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.326 -20.321 16.654 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.696 -18.890 15.862 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.301 -18.168 16.645 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.451 -19.825 16.093 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.788 -18.023 14.387 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.503 -17.670 14.431 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.367 -20.433 13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.785 -19.274 12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.682 -20.541 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.069 -19.235 13.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.568 -20.712 14.459 1.00 0.00 H new ATOM 1377 N ARG A 92 18.195 -17.888 19.064 1.00 0.00 N ATOM 1378 CA ARG A 92 19.350 -18.027 19.943 1.00 0.00 C ATOM 1379 C ARG A 92 18.926 -17.989 21.408 1.00 0.00 C ATOM 1380 O ARG A 92 19.173 -18.932 22.160 1.00 0.00 O ATOM 1381 CB ARG A 92 20.364 -16.916 19.666 1.00 0.00 C ATOM 1382 CG ARG A 92 21.729 -17.169 20.285 1.00 0.00 C ATOM 1383 CD ARG A 92 22.700 -17.756 19.273 1.00 0.00 C ATOM 1384 NE ARG A 92 24.046 -17.897 19.823 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.880 -16.877 19.993 1.00 0.00 C ATOM 1386 NH1 ARG A 92 24.509 -15.649 19.659 1.00 0.00 N ATOM 1387 NH2 ARG A 92 26.089 -17.085 20.500 1.00 0.00 N ATOM 0 H ARG A 92 18.115 -16.977 18.612 1.00 0.00 H new ATOM 0 HA ARG A 92 19.814 -18.992 19.742 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.479 -16.801 18.588 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.971 -15.974 20.047 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.131 -16.235 20.677 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.626 -17.850 21.130 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.338 -18.731 18.947 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.734 -17.117 18.391 1.00 0.00 H new ATOM 0 HE ARG A 92 24.363 -18.829 20.091 1.00 0.00 H new ATOM 0 HH11 ARG A 92 23.580 -15.485 19.270 1.00 0.00 H new ATOM 0 HH12 ARG A 92 25.152 -14.868 19.791 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.378 -18.028 20.759 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.729 -16.302 20.630 1.00 0.00 H new ATOM 1401 N GLU A 93 18.287 -16.894 21.806 1.00 0.00 N ATOM 1402 CA GLU A 93 17.830 -16.734 23.182 1.00 0.00 C ATOM 1403 C GLU A 93 16.319 -16.922 23.279 1.00 0.00 C ATOM 1404 O GLU A 93 15.584 -16.627 22.337 1.00 0.00 O ATOM 1405 CB GLU A 93 18.218 -15.352 23.714 1.00 0.00 C ATOM 1406 CG GLU A 93 19.648 -14.955 23.390 1.00 0.00 C ATOM 1407 CD GLU A 93 20.670 -15.827 24.092 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.718 -15.797 25.339 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.422 -16.540 23.394 1.00 0.00 O ATOM 0 H GLU A 93 18.074 -16.105 21.196 1.00 0.00 H new ATOM 0 HA GLU A 93 18.314 -17.499 23.790 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.540 -14.608 23.297 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.082 -15.337 24.795 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.803 -15.016 22.313 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.806 -13.915 23.676 1.00 0.00 H new ATOM 1416 N SER A 94 15.863 -17.417 24.425 1.00 0.00 N ATOM 1417 CA SER A 94 14.440 -17.650 24.645 1.00 0.00 C ATOM 1418 C SER A 94 13.673 -16.332 24.678 1.00 0.00 C ATOM 1419 O SER A 94 12.565 -16.231 24.149 1.00 0.00 O ATOM 1420 CB SER A 94 14.223 -18.412 25.954 1.00 0.00 C ATOM 1421 OG SER A 94 14.321 -19.811 25.751 1.00 0.00 O ATOM 0 H SER A 94 16.458 -17.665 25.216 1.00 0.00 H new ATOM 0 HA SER A 94 14.063 -18.250 23.817 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.962 -18.095 26.690 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.242 -18.168 26.362 1.00 0.00 H new ATOM 0 HG SER A 94 14.180 -20.276 26.602 1.00 0.00 H new ATOM 1427 N THR A 95 14.270 -15.322 25.303 1.00 0.00 N ATOM 1428 CA THR A 95 13.644 -14.010 25.407 1.00 0.00 C ATOM 1429 C THR A 95 14.170 -13.063 24.334 1.00 0.00 C ATOM 1430 O THR A 95 15.101 -13.396 23.600 1.00 0.00 O ATOM 1431 CB THR A 95 13.883 -13.381 26.793 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.163 -14.405 27.754 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.671 -12.577 27.239 1.00 0.00 C ATOM 0 H THR A 95 15.187 -15.388 25.745 1.00 0.00 H new ATOM 0 HA THR A 95 12.574 -14.159 25.264 1.00 0.00 H new ATOM 0 HB THR A 95 14.738 -12.709 26.720 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.315 -13.997 28.632 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.863 -12.143 28.220 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.479 -11.780 26.521 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.801 -13.231 27.296 1.00 0.00 H new ATOM 1441 N LEU A 96 13.569 -11.881 24.249 1.00 0.00 N ATOM 1442 CA LEU A 96 13.978 -10.885 23.265 1.00 0.00 C ATOM 1443 C LEU A 96 13.945 -9.483 23.864 1.00 0.00 C ATOM 1444 O LEU A 96 12.914 -8.812 23.842 1.00 0.00 O ATOM 1445 CB LEU A 96 13.068 -10.949 22.037 1.00 0.00 C ATOM 1446 CG LEU A 96 13.145 -12.233 21.211 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.192 -12.165 20.028 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.570 -12.478 20.737 1.00 0.00 C ATOM 0 H LEU A 96 12.798 -11.589 24.849 1.00 0.00 H new ATOM 0 HA LEU A 96 15.001 -11.107 22.963 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.038 -10.813 22.366 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.309 -10.108 21.387 1.00 0.00 H new ATOM 0 HG LEU A 96 12.846 -13.068 21.845 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.261 -13.088 19.452 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.172 -12.038 20.390 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.460 -11.320 19.393 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.606 -13.396 20.151 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.897 -11.641 20.120 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.229 -12.573 21.600 1.00 0.00 H new ATOM 1460 N ASN A 97 15.081 -9.046 24.398 1.00 0.00 N ATOM 1461 CA ASN A 97 15.182 -7.722 25.003 1.00 0.00 C ATOM 1462 C ASN A 97 15.659 -6.693 23.982 1.00 0.00 C ATOM 1463 O ASN A 97 16.799 -6.234 24.035 1.00 0.00 O ATOM 1464 CB ASN A 97 16.139 -7.755 26.196 1.00 0.00 C ATOM 1465 CG ASN A 97 15.626 -8.627 27.325 1.00 0.00 C ATOM 1466 OD1 ASN A 97 14.871 -8.170 28.183 1.00 0.00 O ATOM 1467 ND2 ASN A 97 16.034 -9.891 27.329 1.00 0.00 N ATOM 0 H ASN A 97 15.944 -9.589 24.424 1.00 0.00 H new ATOM 0 HA ASN A 97 14.190 -7.431 25.350 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.111 -8.124 25.868 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.291 -6.740 26.564 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.721 -10.526 28.064 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.660 -10.227 26.597 1.00 0.00 H new ATOM 1474 N MET A 98 14.777 -6.336 23.054 1.00 0.00 N ATOM 1475 CA MET A 98 15.108 -5.360 22.022 1.00 0.00 C ATOM 1476 C MET A 98 15.003 -3.938 22.565 1.00 0.00 C ATOM 1477 O MET A 98 14.339 -3.695 23.573 1.00 0.00 O ATOM 1478 CB MET A 98 14.182 -5.527 20.816 1.00 0.00 C ATOM 1479 CG MET A 98 13.964 -6.977 20.414 1.00 0.00 C ATOM 1480 SD MET A 98 13.585 -7.162 18.660 1.00 0.00 S ATOM 1481 CE MET A 98 12.795 -8.769 18.652 1.00 0.00 C ATOM 0 H MET A 98 13.829 -6.707 22.995 1.00 0.00 H new ATOM 0 HA MET A 98 16.137 -5.535 21.708 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.218 -5.072 21.043 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.600 -4.982 19.969 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.858 -7.554 20.652 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.148 -7.395 21.004 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.129 -8.843 17.793 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.555 -9.548 18.590 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.220 -8.896 19.569 1.00 0.00 H new ATOM 1491 N VAL A 99 15.663 -3.002 21.891 1.00 0.00 N ATOM 1492 CA VAL A 99 15.643 -1.604 22.305 1.00 0.00 C ATOM 1493 C VAL A 99 15.448 -0.679 21.110 1.00 0.00 C ATOM 1494 O VAL A 99 16.402 -0.345 20.407 1.00 0.00 O ATOM 1495 CB VAL A 99 16.944 -1.216 23.034 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.872 0.221 23.526 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.213 -2.170 24.187 1.00 0.00 C ATOM 0 H VAL A 99 16.218 -3.186 21.056 1.00 0.00 H new ATOM 0 HA VAL A 99 14.803 -1.489 22.990 1.00 0.00 H new ATOM 0 HB VAL A 99 17.772 -1.292 22.329 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.799 0.477 24.038 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.730 0.890 22.677 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.035 0.328 24.216 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.136 -1.881 24.691 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.385 -2.128 24.895 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.312 -3.186 23.804 1.00 0.00 H new ATOM 1507 N VAL A 100 14.204 -0.267 20.884 1.00 0.00 N ATOM 1508 CA VAL A 100 13.883 0.622 19.774 1.00 0.00 C ATOM 1509 C VAL A 100 13.673 2.052 20.258 1.00 0.00 C ATOM 1510 O VAL A 100 13.279 2.280 21.402 1.00 0.00 O ATOM 1511 CB VAL A 100 12.620 0.153 19.027 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.390 0.306 19.910 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.452 0.926 17.728 1.00 0.00 C ATOM 0 H VAL A 100 13.402 -0.535 21.455 1.00 0.00 H new ATOM 0 HA VAL A 100 14.732 0.594 19.090 1.00 0.00 H new ATOM 0 HB VAL A 100 12.734 -0.903 18.783 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.507 -0.030 19.366 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.512 -0.295 20.811 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.269 1.353 20.187 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.555 0.582 17.213 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.359 1.990 17.947 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.321 0.761 17.091 1.00 0.00 H new ATOM 1523 N ARG A 101 13.937 3.013 19.379 1.00 0.00 N ATOM 1524 CA ARG A 101 13.778 4.422 19.717 1.00 0.00 C ATOM 1525 C ARG A 101 12.405 4.933 19.288 1.00 0.00 C ATOM 1526 O ARG A 101 12.082 4.950 18.100 1.00 0.00 O ATOM 1527 CB ARG A 101 14.875 5.256 19.050 1.00 0.00 C ATOM 1528 CG ARG A 101 16.256 5.032 19.645 1.00 0.00 C ATOM 1529 CD ARG A 101 16.386 5.683 21.012 1.00 0.00 C ATOM 1530 NE ARG A 101 17.725 6.219 21.238 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.001 7.151 22.144 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.036 7.647 22.905 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.246 7.588 22.290 1.00 0.00 N ATOM 0 H ARG A 101 14.262 2.841 18.427 1.00 0.00 H new ATOM 0 HA ARG A 101 13.862 4.521 20.799 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.904 5.019 17.986 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.619 6.312 19.135 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.447 3.962 19.731 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.013 5.438 18.974 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.654 6.486 21.102 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.153 4.951 21.786 1.00 0.00 H new ATOM 0 HE ARG A 101 18.491 5.858 20.669 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.078 7.313 22.796 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.251 8.362 23.600 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.991 7.208 21.706 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.457 8.303 22.986 1.00 0.00 H new ATOM 1547 N ARG A 102 11.602 5.346 20.262 1.00 0.00 N ATOM 1548 CA ARG A 102 10.264 5.854 19.986 1.00 0.00 C ATOM 1549 C ARG A 102 10.198 7.361 20.213 1.00 0.00 C ATOM 1550 O ARG A 102 10.205 7.829 21.351 1.00 0.00 O ATOM 1551 CB ARG A 102 9.234 5.149 20.871 1.00 0.00 C ATOM 1552 CG ARG A 102 8.031 4.624 20.105 1.00 0.00 C ATOM 1553 CD ARG A 102 7.548 3.296 20.667 1.00 0.00 C ATOM 1554 NE ARG A 102 8.129 2.159 19.960 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.759 0.899 20.164 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.813 0.618 21.049 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.335 -0.082 19.481 1.00 0.00 N ATOM 0 H ARG A 102 11.855 5.339 21.250 1.00 0.00 H new ATOM 0 HA ARG A 102 10.034 5.650 18.940 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.717 4.318 21.385 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.891 5.843 21.638 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.223 5.354 20.149 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.293 4.502 19.054 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.805 3.235 21.725 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.461 3.248 20.600 1.00 0.00 H new ATOM 0 HE ARG A 102 8.859 2.341 19.272 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.367 1.370 21.575 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.531 -0.350 21.204 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.063 0.131 18.799 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.050 -1.049 19.638 1.00 0.00 H new ATOM 1571 N GLY A 103 10.133 8.117 19.121 1.00 0.00 N ATOM 1572 CA GLY A 103 10.067 9.563 19.222 1.00 0.00 C ATOM 1573 C GLY A 103 11.412 10.184 19.544 1.00 0.00 C ATOM 1574 O GLY A 103 12.102 10.680 18.655 1.00 0.00 O ATOM 0 H GLY A 103 10.125 7.753 18.168 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.697 9.973 18.283 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.349 9.838 19.995 1.00 0.00 H new ATOM 1578 N ASN A 104 11.784 10.158 20.819 1.00 0.00 N ATOM 1579 CA ASN A 104 13.055 10.725 21.256 1.00 0.00 C ATOM 1580 C ASN A 104 13.532 10.060 22.544 1.00 0.00 C ATOM 1581 O ASN A 104 14.123 10.710 23.406 1.00 0.00 O ATOM 1582 CB ASN A 104 12.918 12.234 21.468 1.00 0.00 C ATOM 1583 CG ASN A 104 12.890 13.001 20.160 1.00 0.00 C ATOM 1584 OD1 ASN A 104 11.961 13.764 19.895 1.00 0.00 O ATOM 1585 ND2 ASN A 104 13.911 12.800 19.335 1.00 0.00 N ATOM 0 H ASN A 104 11.224 9.751 21.568 1.00 0.00 H new ATOM 0 HA ASN A 104 13.795 10.540 20.477 1.00 0.00 H new ATOM 0 HB2 ASN A 104 12.004 12.438 22.026 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.749 12.590 22.077 1.00 0.00 H new ATOM 0 HD21 ASN A 104 13.947 13.288 18.440 1.00 0.00 H new ATOM 0 HD22 ASN A 104 14.659 12.158 19.597 1.00 0.00 H new ATOM 1592 N GLU A 105 13.272 8.762 22.666 1.00 0.00 N ATOM 1593 CA GLU A 105 13.675 8.011 23.849 1.00 0.00 C ATOM 1594 C GLU A 105 13.854 6.532 23.519 1.00 0.00 C ATOM 1595 O GLU A 105 13.264 6.022 22.566 1.00 0.00 O ATOM 1596 CB GLU A 105 12.638 8.174 24.962 1.00 0.00 C ATOM 1597 CG GLU A 105 11.205 7.984 24.493 1.00 0.00 C ATOM 1598 CD GLU A 105 10.208 8.011 25.635 1.00 0.00 C ATOM 1599 OE1 GLU A 105 10.275 7.116 26.503 1.00 0.00 O ATOM 1600 OE2 GLU A 105 9.361 8.928 25.661 1.00 0.00 O ATOM 0 H GLU A 105 12.785 8.209 21.961 1.00 0.00 H new ATOM 0 HA GLU A 105 14.631 8.408 24.192 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.851 7.455 25.753 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.740 9.168 25.399 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.954 8.768 23.778 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.122 7.033 23.966 1.00 0.00 H new ATOM 1607 N ASP A 106 14.672 5.850 24.313 1.00 0.00 N ATOM 1608 CA ASP A 106 14.929 4.429 24.106 1.00 0.00 C ATOM 1609 C ASP A 106 13.979 3.578 24.942 1.00 0.00 C ATOM 1610 O ASP A 106 13.923 3.710 26.165 1.00 0.00 O ATOM 1611 CB ASP A 106 16.379 4.095 24.461 1.00 0.00 C ATOM 1612 CG ASP A 106 16.772 4.605 25.834 1.00 0.00 C ATOM 1613 OD1 ASP A 106 16.854 5.840 26.007 1.00 0.00 O ATOM 1614 OD2 ASP A 106 16.995 3.771 26.735 1.00 0.00 O ATOM 0 H ASP A 106 15.168 6.258 25.105 1.00 0.00 H new ATOM 0 HA ASP A 106 14.759 4.203 23.053 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.519 3.015 24.424 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.042 4.528 23.712 1.00 0.00 H new ATOM 1619 N ILE A 107 13.232 2.704 24.274 1.00 0.00 N ATOM 1620 CA ILE A 107 12.285 1.832 24.956 1.00 0.00 C ATOM 1621 C ILE A 107 12.615 0.363 24.710 1.00 0.00 C ATOM 1622 O ILE A 107 12.997 -0.021 23.605 1.00 0.00 O ATOM 1623 CB ILE A 107 10.839 2.105 24.499 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.505 3.590 24.651 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.862 1.253 25.296 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.138 3.959 24.121 1.00 0.00 C ATOM 0 H ILE A 107 13.265 2.582 23.262 1.00 0.00 H new ATOM 0 HA ILE A 107 12.368 2.047 26.021 1.00 0.00 H new ATOM 0 HB ILE A 107 10.750 1.837 23.446 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.562 3.861 25.705 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.259 4.179 24.129 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.845 1.457 24.962 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.090 0.198 25.142 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.951 1.493 26.356 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.969 5.027 24.262 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.083 3.720 23.059 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.375 3.397 24.660 1.00 0.00 H new ATOM 1638 N MET A 108 12.462 -0.453 25.747 1.00 0.00 N ATOM 1639 CA MET A 108 12.741 -1.881 25.642 1.00 0.00 C ATOM 1640 C MET A 108 11.501 -2.645 25.190 1.00 0.00 C ATOM 1641 O MET A 108 10.381 -2.318 25.584 1.00 0.00 O ATOM 1642 CB MET A 108 13.229 -2.427 26.986 1.00 0.00 C ATOM 1643 CG MET A 108 14.669 -2.057 27.305 1.00 0.00 C ATOM 1644 SD MET A 108 15.447 -3.216 28.446 1.00 0.00 S ATOM 1645 CE MET A 108 16.641 -4.003 27.367 1.00 0.00 C ATOM 0 H MET A 108 12.147 -0.151 26.669 1.00 0.00 H new ATOM 0 HA MET A 108 13.523 -2.019 24.896 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.582 -2.051 27.778 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.133 -3.513 26.984 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.245 -2.022 26.380 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.696 -1.056 27.735 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.141 -4.809 27.904 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.130 -4.411 26.495 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.379 -3.269 27.044 1.00 0.00 H new ATOM 1655 N ILE A 109 11.708 -3.664 24.362 1.00 0.00 N ATOM 1656 CA ILE A 109 10.607 -4.474 23.858 1.00 0.00 C ATOM 1657 C ILE A 109 10.834 -5.954 24.150 1.00 0.00 C ATOM 1658 O ILE A 109 11.557 -6.638 23.424 1.00 0.00 O ATOM 1659 CB ILE A 109 10.417 -4.285 22.341 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.191 -2.807 22.014 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.251 -5.127 21.844 1.00 0.00 C ATOM 1662 CD1 ILE A 109 8.997 -2.207 22.722 1.00 0.00 C ATOM 0 H ILE A 109 12.628 -3.948 24.026 1.00 0.00 H new ATOM 0 HA ILE A 109 9.707 -4.138 24.373 1.00 0.00 H new ATOM 0 HB ILE A 109 11.322 -4.617 21.832 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.084 -2.243 22.283 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.058 -2.698 20.938 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.129 -4.983 20.770 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.449 -6.179 22.049 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.338 -4.823 22.357 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.898 -1.158 22.443 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.094 -2.746 22.434 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.137 -2.284 23.800 1.00 0.00 H new ATOM 1674 N THR A 110 10.212 -6.443 25.217 1.00 0.00 N ATOM 1675 CA THR A 110 10.345 -7.842 25.605 1.00 0.00 C ATOM 1676 C THR A 110 9.383 -8.725 24.819 1.00 0.00 C ATOM 1677 O THR A 110 8.165 -8.598 24.945 1.00 0.00 O ATOM 1678 CB THR A 110 10.086 -8.034 27.112 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.776 -7.026 27.860 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.540 -9.412 27.568 1.00 0.00 C ATOM 0 H THR A 110 9.611 -5.891 25.829 1.00 0.00 H new ATOM 0 HA THR A 110 11.370 -8.136 25.379 1.00 0.00 H new ATOM 0 HB THR A 110 9.014 -7.946 27.288 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.605 -7.154 28.816 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.347 -9.524 28.635 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.991 -10.176 27.018 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.608 -9.525 27.379 1.00 0.00 H new ATOM 1688 N VAL A 111 9.937 -9.620 24.008 1.00 0.00 N ATOM 1689 CA VAL A 111 9.128 -10.526 23.202 1.00 0.00 C ATOM 1690 C VAL A 111 9.488 -11.981 23.483 1.00 0.00 C ATOM 1691 O VAL A 111 10.661 -12.323 23.630 1.00 0.00 O ATOM 1692 CB VAL A 111 9.301 -10.247 21.698 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.529 -11.265 20.873 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.856 -8.831 21.365 1.00 0.00 C ATOM 0 H VAL A 111 10.944 -9.737 23.892 1.00 0.00 H new ATOM 0 HA VAL A 111 8.088 -10.352 23.478 1.00 0.00 H new ATOM 0 HB VAL A 111 10.358 -10.340 21.448 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.664 -11.051 19.813 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.900 -12.267 21.091 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.470 -11.208 21.123 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.985 -8.651 20.298 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.806 -8.708 21.629 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.458 -8.118 21.929 1.00 0.00 H new ATOM 1704 N ILE A 112 8.471 -12.833 23.554 1.00 0.00 N ATOM 1705 CA ILE A 112 8.681 -14.252 23.814 1.00 0.00 C ATOM 1706 C ILE A 112 8.378 -15.089 22.576 1.00 0.00 C ATOM 1707 O ILE A 112 7.261 -15.569 22.378 1.00 0.00 O ATOM 1708 CB ILE A 112 7.804 -14.746 24.981 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.943 -13.809 26.183 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.184 -16.168 25.364 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.367 -13.655 26.668 1.00 0.00 C ATOM 0 H ILE A 112 7.494 -12.566 23.435 1.00 0.00 H new ATOM 0 HA ILE A 112 9.731 -14.372 24.082 1.00 0.00 H new ATOM 0 HB ILE A 112 6.762 -14.744 24.660 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.551 -12.828 25.916 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.328 -14.186 27.000 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.556 -16.503 26.190 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.039 -16.827 24.508 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.230 -16.195 25.670 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.389 -12.977 27.521 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.757 -14.628 26.967 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.983 -13.249 25.866 1.00 0.00 H new ATOM 1723 N PRO A 113 9.396 -15.272 21.722 1.00 0.00 N ATOM 1724 CA PRO A 113 9.264 -16.054 20.489 1.00 0.00 C ATOM 1725 C PRO A 113 9.098 -17.545 20.763 1.00 0.00 C ATOM 1726 O PRO A 113 9.859 -18.131 21.532 1.00 0.00 O ATOM 1727 CB PRO A 113 10.583 -15.788 19.758 1.00 0.00 C ATOM 1728 CG PRO A 113 11.551 -15.441 20.837 1.00 0.00 C ATOM 1729 CD PRO A 113 10.754 -14.729 21.895 1.00 0.00 C ATOM 0 HA PRO A 113 8.380 -15.770 19.919 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.910 -16.665 19.200 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.481 -14.974 19.041 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.023 -16.337 21.241 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.349 -14.804 20.455 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.143 -14.929 22.894 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.776 -13.648 21.755 1.00 0.00 H new ATOM 1737 N GLU A 114 8.100 -18.151 20.129 1.00 0.00 N ATOM 1738 CA GLU A 114 7.835 -19.574 20.306 1.00 0.00 C ATOM 1739 C GLU A 114 8.601 -20.402 19.278 1.00 0.00 C ATOM 1740 O GLU A 114 8.709 -20.018 18.114 1.00 0.00 O ATOM 1741 CB GLU A 114 6.336 -19.855 20.189 1.00 0.00 C ATOM 1742 CG GLU A 114 5.471 -18.880 20.970 1.00 0.00 C ATOM 1743 CD GLU A 114 5.675 -18.990 22.469 1.00 0.00 C ATOM 1744 OE1 GLU A 114 5.679 -20.127 22.985 1.00 0.00 O ATOM 1745 OE2 GLU A 114 5.832 -17.939 23.124 1.00 0.00 O ATOM 0 H GLU A 114 7.462 -17.679 19.488 1.00 0.00 H new ATOM 0 HA GLU A 114 8.174 -19.859 21.302 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.049 -19.820 19.138 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.136 -20.867 20.541 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.697 -17.863 20.650 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.422 -19.062 20.736 1.00 0.00 H new