USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 431 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 Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.039 X(o=-0.039,f=-0.23) USER MOD Single : A 38 HIS : no HD1:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot 72:sc= 1.22 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -12:sc= 0.807 USER MOD Single : A 78 LYS NZ :NH3+ 142:sc= 0.00304 (180deg=-0.167) USER MOD Single : A 80 ASN :FLIP amide:sc=-0.000796 F(o=-1.1,f=-0.0008) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 178:sc= 0.868 USER MOD ----------------------------------------------------------------- ATOM 231 N ARG A 18 35.161 -15.250 1.636 1.00 0.00 N ATOM 232 CA ARG A 18 36.605 -15.046 1.649 1.00 0.00 C ATOM 233 C ARG A 18 37.312 -16.212 2.333 1.00 0.00 C ATOM 234 O ARG A 18 37.636 -16.146 3.520 1.00 0.00 O ATOM 235 CB ARG A 18 36.950 -13.737 2.362 1.00 0.00 C ATOM 236 CG ARG A 18 36.392 -12.503 1.673 1.00 0.00 C ATOM 237 CD ARG A 18 37.297 -12.039 0.542 1.00 0.00 C ATOM 238 NE ARG A 18 36.761 -10.865 -0.142 1.00 0.00 N ATOM 239 CZ ARG A 18 37.447 -10.155 -1.030 1.00 0.00 C ATOM 240 NH1 ARG A 18 38.690 -10.498 -1.341 1.00 0.00 N ATOM 241 NH2 ARG A 18 36.891 -9.099 -1.610 1.00 0.00 N ATOM 0 HA ARG A 18 36.949 -14.991 0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 18 36.568 -13.777 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 18 38.034 -13.645 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 18 35.399 -12.722 1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 18 36.276 -11.700 2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 18 38.285 -11.807 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 18 37.425 -12.850 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 18 35.807 -10.575 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 18 39.121 -11.309 -0.898 1.00 0.00 H new ATOM 0 HH12 ARG A 18 39.214 -9.951 -2.023 1.00 0.00 H new ATOM 0 HH21 ARG A 18 35.935 -8.832 -1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 18 37.419 -8.555 -2.292 1.00 0.00 H new ATOM 255 N LEU A 19 37.549 -17.279 1.577 1.00 0.00 N ATOM 256 CA LEU A 19 38.218 -18.461 2.110 1.00 0.00 C ATOM 257 C LEU A 19 39.728 -18.364 1.920 1.00 0.00 C ATOM 258 O LEU A 19 40.207 -17.738 0.973 1.00 0.00 O ATOM 259 CB LEU A 19 37.687 -19.722 1.428 1.00 0.00 C ATOM 260 CG LEU A 19 36.194 -20.003 1.605 1.00 0.00 C ATOM 261 CD1 LEU A 19 35.649 -20.766 0.407 1.00 0.00 C ATOM 262 CD2 LEU A 19 35.945 -20.778 2.891 1.00 0.00 C ATOM 0 H LEU A 19 37.288 -17.350 0.594 1.00 0.00 H new ATOM 0 HA LEU A 19 38.008 -18.517 3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 19 37.899 -19.651 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 19 38.245 -20.578 1.807 1.00 0.00 H new ATOM 0 HG LEU A 19 35.670 -19.049 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.586 -20.957 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.793 -20.174 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.178 -21.714 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.877 -20.969 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.481 -21.726 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.298 -20.195 3.741 1.00 0.00 H new ATOM 274 N LEU A 20 40.474 -18.988 2.825 1.00 0.00 N ATOM 275 CA LEU A 20 41.932 -18.974 2.756 1.00 0.00 C ATOM 276 C LEU A 20 42.466 -20.317 2.269 1.00 0.00 C ATOM 277 O LEU A 20 41.718 -21.284 2.138 1.00 0.00 O ATOM 278 CB LEU A 20 42.524 -18.644 4.127 1.00 0.00 C ATOM 279 CG LEU A 20 42.802 -17.165 4.400 1.00 0.00 C ATOM 280 CD1 LEU A 20 43.183 -16.954 5.857 1.00 0.00 C ATOM 281 CD2 LEU A 20 43.899 -16.650 3.479 1.00 0.00 C ATOM 0 H LEU A 20 40.094 -19.510 3.615 1.00 0.00 H new ATOM 0 HA LEU A 20 42.230 -18.205 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 20 41.842 -19.012 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 20 43.457 -19.195 4.240 1.00 0.00 H new ATOM 0 HG LEU A 20 41.892 -16.600 4.199 1.00 0.00 H new ATOM 0 HD11 LEU A 20 43.377 -15.896 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 20 42.366 -17.284 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 20 44.079 -17.530 6.086 1.00 0.00 H new ATOM 0 HD21 LEU A 20 44.084 -15.596 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 20 44.813 -17.219 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.587 -16.766 2.441 1.00 0.00 H new ATOM 293 N GLY A 21 43.768 -20.368 2.002 1.00 0.00 N ATOM 294 CA GLY A 21 44.381 -21.598 1.534 1.00 0.00 C ATOM 295 C GLY A 21 45.896 -21.536 1.559 1.00 0.00 C ATOM 296 O GLY A 21 46.476 -20.558 2.030 1.00 0.00 O ATOM 0 H GLY A 21 44.408 -19.580 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 21 44.044 -22.428 2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 21 44.045 -21.804 0.518 1.00 0.00 H new ATOM 300 N TYR A 22 46.537 -22.584 1.054 1.00 0.00 N ATOM 301 CA TYR A 22 47.993 -22.648 1.025 1.00 0.00 C ATOM 302 C TYR A 22 48.488 -23.189 -0.313 1.00 0.00 C ATOM 303 O TYR A 22 48.049 -24.244 -0.769 1.00 0.00 O ATOM 304 CB TYR A 22 48.510 -23.526 2.166 1.00 0.00 C ATOM 305 CG TYR A 22 47.966 -23.138 3.522 1.00 0.00 C ATOM 306 CD1 TYR A 22 48.299 -21.921 4.104 1.00 0.00 C ATOM 307 CD2 TYR A 22 47.120 -23.989 4.223 1.00 0.00 C ATOM 308 CE1 TYR A 22 47.805 -21.563 5.344 1.00 0.00 C ATOM 309 CE2 TYR A 22 46.620 -23.638 5.462 1.00 0.00 C ATOM 310 CZ TYR A 22 46.966 -22.424 6.018 1.00 0.00 C ATOM 311 OH TYR A 22 46.471 -22.072 7.253 1.00 0.00 O ATOM 0 H TYR A 22 46.071 -23.401 0.659 1.00 0.00 H new ATOM 0 HA TYR A 22 48.378 -21.636 1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 22 48.248 -24.564 1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 22 49.598 -23.471 2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 22 48.955 -21.243 3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 22 46.849 -24.941 3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 22 48.075 -20.614 5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 22 45.962 -24.310 5.992 1.00 0.00 H new ATOM 0 HH TYR A 22 45.895 -22.789 7.591 1.00 0.00 H new ATOM 321 N VAL A 23 49.407 -22.458 -0.936 1.00 0.00 N ATOM 322 CA VAL A 23 49.964 -22.864 -2.221 1.00 0.00 C ATOM 323 C VAL A 23 50.485 -24.296 -2.166 1.00 0.00 C ATOM 324 O VAL A 23 51.386 -24.610 -1.388 1.00 0.00 O ATOM 325 CB VAL A 23 51.108 -21.929 -2.657 1.00 0.00 C ATOM 326 CG1 VAL A 23 51.667 -22.362 -4.004 1.00 0.00 C ATOM 327 CG2 VAL A 23 50.627 -20.487 -2.708 1.00 0.00 C ATOM 0 H VAL A 23 49.781 -21.582 -0.572 1.00 0.00 H new ATOM 0 HA VAL A 23 49.156 -22.802 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 23 51.909 -21.994 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 23 52.474 -21.690 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 23 52.051 -23.379 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 23 50.877 -22.327 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 23 51.448 -19.840 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 23 49.808 -20.402 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 23 50.280 -20.184 -1.720 1.00 0.00 H new ATOM 337 N ALA A 24 49.913 -25.160 -2.997 1.00 0.00 N ATOM 338 CA ALA A 24 50.322 -26.559 -3.045 1.00 0.00 C ATOM 339 C ALA A 24 51.199 -26.833 -4.262 1.00 0.00 C ATOM 340 O ALA A 24 52.075 -27.697 -4.227 1.00 0.00 O ATOM 341 CB ALA A 24 49.100 -27.465 -3.058 1.00 0.00 C ATOM 0 H ALA A 24 49.165 -24.917 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 24 50.909 -26.772 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 24 49.420 -28.506 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 24 48.513 -27.297 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 24 48.491 -27.242 -3.934 1.00 0.00 H new ATOM 347 N THR A 25 50.957 -26.092 -5.339 1.00 0.00 N ATOM 348 CA THR A 25 51.723 -26.257 -6.568 1.00 0.00 C ATOM 349 C THR A 25 51.729 -24.972 -7.389 1.00 0.00 C ATOM 350 O THR A 25 50.684 -24.358 -7.607 1.00 0.00 O ATOM 351 CB THR A 25 51.161 -27.401 -7.432 1.00 0.00 C ATOM 352 OG1 THR A 25 51.055 -28.597 -6.652 1.00 0.00 O ATOM 353 CG2 THR A 25 52.050 -27.655 -8.640 1.00 0.00 C ATOM 0 H THR A 25 50.236 -25.372 -5.385 1.00 0.00 H new ATOM 0 HA THR A 25 52.743 -26.502 -6.273 1.00 0.00 H new ATOM 0 HB THR A 25 50.172 -27.108 -7.784 1.00 0.00 H new ATOM 0 HG1 THR A 25 50.695 -29.319 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 25 51.632 -28.467 -9.235 1.00 0.00 H new ATOM 0 HG22 THR A 25 52.105 -26.752 -9.247 1.00 0.00 H new ATOM 0 HG23 THR A 25 53.050 -27.928 -8.304 1.00 0.00 H new ATOM 361 N LEU A 26 52.912 -24.571 -7.841 1.00 0.00 N ATOM 362 CA LEU A 26 53.054 -23.358 -8.640 1.00 0.00 C ATOM 363 C LEU A 26 53.755 -23.655 -9.961 1.00 0.00 C ATOM 364 O LEU A 26 54.970 -23.845 -10.004 1.00 0.00 O ATOM 365 CB LEU A 26 53.837 -22.300 -7.861 1.00 0.00 C ATOM 366 CG LEU A 26 53.022 -21.126 -7.317 1.00 0.00 C ATOM 367 CD1 LEU A 26 53.803 -20.385 -6.243 1.00 0.00 C ATOM 368 CD2 LEU A 26 52.631 -20.180 -8.443 1.00 0.00 C ATOM 0 H LEU A 26 53.786 -25.067 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 26 52.056 -22.977 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.335 -22.789 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.618 -21.904 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 26 52.110 -21.520 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 26 53.207 -19.553 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.031 -21.066 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 26 54.732 -20.004 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 26 52.052 -19.351 -8.037 1.00 0.00 H new ATOM 0 HD22 LEU A 26 53.530 -19.794 -8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.030 -20.717 -9.177 1.00 0.00 H new ATOM 380 N LYS A 27 52.980 -23.692 -11.041 1.00 0.00 N ATOM 381 CA LYS A 27 53.525 -23.962 -12.366 1.00 0.00 C ATOM 382 C LYS A 27 53.715 -22.668 -13.150 1.00 0.00 C ATOM 383 O LYS A 27 53.536 -21.574 -12.614 1.00 0.00 O ATOM 384 CB LYS A 27 52.602 -24.908 -13.137 1.00 0.00 C ATOM 385 CG LYS A 27 52.194 -26.139 -12.346 1.00 0.00 C ATOM 386 CD LYS A 27 53.395 -27.005 -12.006 1.00 0.00 C ATOM 387 CE LYS A 27 53.228 -28.422 -12.535 1.00 0.00 C ATOM 388 NZ LYS A 27 54.506 -28.969 -13.068 1.00 0.00 N ATOM 0 H LYS A 27 51.972 -23.538 -11.024 1.00 0.00 H new ATOM 0 HA LYS A 27 54.498 -24.436 -12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 27 51.705 -24.364 -13.435 1.00 0.00 H new ATOM 0 HB3 LYS A 27 53.102 -25.224 -14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 27 51.693 -25.833 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 27 51.475 -26.722 -12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 27 54.296 -26.561 -12.429 1.00 0.00 H new ATOM 0 HD3 LYS A 27 53.531 -27.033 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 27 52.862 -29.067 -11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 27 52.474 -28.429 -13.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 54.350 -29.936 -13.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 54.843 -28.368 -13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 55.219 -28.986 -12.311 1.00 0.00 H new ATOM 402 N ASP A 28 54.077 -22.800 -14.421 1.00 0.00 N ATOM 403 CA ASP A 28 54.288 -21.640 -15.281 1.00 0.00 C ATOM 404 C ASP A 28 53.056 -21.368 -16.139 1.00 0.00 C ATOM 405 O ASP A 28 53.164 -21.143 -17.343 1.00 0.00 O ATOM 406 CB ASP A 28 55.510 -21.857 -16.175 1.00 0.00 C ATOM 407 CG ASP A 28 56.813 -21.779 -15.404 1.00 0.00 C ATOM 408 OD1 ASP A 28 57.086 -22.701 -14.606 1.00 0.00 O ATOM 409 OD2 ASP A 28 57.559 -20.797 -15.597 1.00 0.00 O ATOM 0 H ASP A 28 54.231 -23.698 -14.879 1.00 0.00 H new ATOM 0 HA ASP A 28 54.463 -20.773 -14.644 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.435 -22.831 -16.658 1.00 0.00 H new ATOM 0 HB3 ASP A 28 55.515 -21.108 -16.967 1.00 0.00 H new ATOM 414 N ASN A 29 51.886 -21.392 -15.509 1.00 0.00 N ATOM 415 CA ASN A 29 50.633 -21.149 -16.215 1.00 0.00 C ATOM 416 C ASN A 29 49.454 -21.154 -15.248 1.00 0.00 C ATOM 417 O ASN A 29 48.517 -20.367 -15.389 1.00 0.00 O ATOM 418 CB ASN A 29 50.422 -22.208 -17.300 1.00 0.00 C ATOM 419 CG ASN A 29 49.882 -21.616 -18.588 1.00 0.00 C ATOM 420 OD1 ASN A 29 49.424 -20.473 -18.615 1.00 0.00 O ATOM 421 ND2 ASN A 29 49.935 -22.393 -19.663 1.00 0.00 N ATOM 0 H ASN A 29 51.779 -21.577 -14.512 1.00 0.00 H new ATOM 0 HA ASN A 29 50.692 -20.166 -16.682 1.00 0.00 H new ATOM 0 HB2 ASN A 29 51.368 -22.710 -17.503 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.730 -22.967 -16.934 1.00 0.00 H new ATOM 0 HD21 ASN A 29 49.588 -22.049 -20.558 1.00 0.00 H new ATOM 0 HD22 ASN A 29 50.323 -23.334 -19.594 1.00 0.00 H new ATOM 428 N PHE A 30 49.506 -22.046 -14.264 1.00 0.00 N ATOM 429 CA PHE A 30 48.442 -22.154 -13.272 1.00 0.00 C ATOM 430 C PHE A 30 48.982 -22.697 -11.952 1.00 0.00 C ATOM 431 O PHE A 30 50.088 -23.232 -11.894 1.00 0.00 O ATOM 432 CB PHE A 30 47.323 -23.060 -13.790 1.00 0.00 C ATOM 433 CG PHE A 30 47.814 -24.381 -14.312 1.00 0.00 C ATOM 434 CD1 PHE A 30 48.271 -25.357 -13.441 1.00 0.00 C ATOM 435 CD2 PHE A 30 47.819 -24.645 -15.672 1.00 0.00 C ATOM 436 CE1 PHE A 30 48.723 -26.573 -13.917 1.00 0.00 C ATOM 437 CE2 PHE A 30 48.269 -25.859 -16.153 1.00 0.00 C ATOM 438 CZ PHE A 30 48.723 -26.824 -15.276 1.00 0.00 C ATOM 0 H PHE A 30 50.274 -22.705 -14.132 1.00 0.00 H new ATOM 0 HA PHE A 30 48.040 -21.156 -13.097 1.00 0.00 H new ATOM 0 HB2 PHE A 30 46.609 -23.239 -12.986 1.00 0.00 H new ATOM 0 HB3 PHE A 30 46.785 -22.542 -14.584 1.00 0.00 H new ATOM 0 HD1 PHE A 30 48.274 -25.165 -12.378 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.467 -23.894 -16.363 1.00 0.00 H new ATOM 0 HE1 PHE A 30 49.076 -27.326 -13.228 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.266 -26.054 -17.215 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.077 -27.773 -15.651 1.00 0.00 H new ATOM 448 N GLY A 31 48.191 -22.556 -10.893 1.00 0.00 N ATOM 449 CA GLY A 31 48.605 -23.036 -9.588 1.00 0.00 C ATOM 450 C GLY A 31 47.521 -23.836 -8.893 1.00 0.00 C ATOM 451 O GLY A 31 46.416 -23.982 -9.415 1.00 0.00 O ATOM 0 H GLY A 31 47.270 -22.118 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 31 49.495 -23.655 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 31 48.882 -22.187 -8.963 1.00 0.00 H new ATOM 455 N PHE A 32 47.838 -24.357 -7.713 1.00 0.00 N ATOM 456 CA PHE A 32 46.883 -25.150 -6.946 1.00 0.00 C ATOM 457 C PHE A 32 46.831 -24.683 -5.494 1.00 0.00 C ATOM 458 O PHE A 32 47.820 -24.187 -4.955 1.00 0.00 O ATOM 459 CB PHE A 32 47.256 -26.632 -7.004 1.00 0.00 C ATOM 460 CG PHE A 32 46.894 -27.291 -8.304 1.00 0.00 C ATOM 461 CD1 PHE A 32 47.723 -27.176 -9.409 1.00 0.00 C ATOM 462 CD2 PHE A 32 45.725 -28.026 -8.422 1.00 0.00 C ATOM 463 CE1 PHE A 32 47.391 -27.781 -10.606 1.00 0.00 C ATOM 464 CE2 PHE A 32 45.389 -28.633 -9.617 1.00 0.00 C ATOM 465 CZ PHE A 32 46.224 -28.511 -10.711 1.00 0.00 C ATOM 0 H PHE A 32 48.748 -24.245 -7.266 1.00 0.00 H new ATOM 0 HA PHE A 32 45.896 -25.013 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 32 48.329 -26.735 -6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 32 46.757 -27.156 -6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 32 48.638 -26.607 -9.333 1.00 0.00 H new ATOM 0 HD2 PHE A 32 45.069 -28.126 -7.570 1.00 0.00 H new ATOM 0 HE1 PHE A 32 48.045 -27.683 -11.460 1.00 0.00 H new ATOM 0 HE2 PHE A 32 44.475 -29.202 -9.696 1.00 0.00 H new ATOM 0 HZ PHE A 32 45.964 -28.985 -11.646 1.00 0.00 H new ATOM 475 N ILE A 33 45.670 -24.845 -4.868 1.00 0.00 N ATOM 476 CA ILE A 33 45.488 -24.441 -3.480 1.00 0.00 C ATOM 477 C ILE A 33 44.866 -25.565 -2.657 1.00 0.00 C ATOM 478 O ILE A 33 43.706 -25.923 -2.856 1.00 0.00 O ATOM 479 CB ILE A 33 44.600 -23.188 -3.370 1.00 0.00 C ATOM 480 CG1 ILE A 33 45.211 -22.031 -4.163 1.00 0.00 C ATOM 481 CG2 ILE A 33 44.415 -22.796 -1.911 1.00 0.00 C ATOM 482 CD1 ILE A 33 44.282 -20.849 -4.322 1.00 0.00 C ATOM 0 H ILE A 33 44.841 -25.253 -5.301 1.00 0.00 H new ATOM 0 HA ILE A 33 46.478 -24.210 -3.086 1.00 0.00 H new ATOM 0 HB ILE A 33 43.622 -23.417 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 33 46.123 -21.701 -3.665 1.00 0.00 H new ATOM 0 HG13 ILE A 33 45.500 -22.391 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 33 43.785 -21.909 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 33 43.941 -23.616 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 33 45.387 -22.583 -1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 33 44.782 -20.068 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 33 43.380 -21.163 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 33 44.013 -20.463 -3.339 1.00 0.00 H new ATOM 494 N GLU A 34 45.646 -26.115 -1.732 1.00 0.00 N ATOM 495 CA GLU A 34 45.171 -27.197 -0.878 1.00 0.00 C ATOM 496 C GLU A 34 44.462 -26.646 0.355 1.00 0.00 C ATOM 497 O GLU A 34 45.034 -25.869 1.120 1.00 0.00 O ATOM 498 CB GLU A 34 46.338 -28.091 -0.452 1.00 0.00 C ATOM 499 CG GLU A 34 46.344 -29.450 -1.132 1.00 0.00 C ATOM 500 CD GLU A 34 47.671 -30.169 -0.986 1.00 0.00 C ATOM 501 OE1 GLU A 34 48.594 -29.592 -0.375 1.00 0.00 O ATOM 502 OE2 GLU A 34 47.786 -31.309 -1.483 1.00 0.00 O ATOM 0 H GLU A 34 46.609 -25.829 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 34 44.458 -27.791 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 34 47.275 -27.580 -0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 34 46.299 -28.235 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 34 45.552 -30.068 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 34 46.118 -29.323 -2.191 1.00 0.00 H new ATOM 509 N THR A 35 43.210 -27.053 0.542 1.00 0.00 N ATOM 510 CA THR A 35 42.421 -26.600 1.681 1.00 0.00 C ATOM 511 C THR A 35 42.974 -27.154 2.989 1.00 0.00 C ATOM 512 O THR A 35 43.788 -28.077 2.988 1.00 0.00 O ATOM 513 CB THR A 35 40.945 -27.018 1.543 1.00 0.00 C ATOM 514 OG1 THR A 35 40.812 -28.427 1.760 1.00 0.00 O ATOM 515 CG2 THR A 35 40.407 -26.659 0.166 1.00 0.00 C ATOM 0 H THR A 35 42.721 -27.696 -0.081 1.00 0.00 H new ATOM 0 HA THR A 35 42.483 -25.512 1.696 1.00 0.00 H new ATOM 0 HB THR A 35 40.367 -26.479 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 35 39.870 -28.684 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.363 -26.964 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 35 40.482 -25.582 0.016 1.00 0.00 H new ATOM 0 HG23 THR A 35 40.990 -27.174 -0.598 1.00 0.00 H new ATOM 523 N ALA A 36 42.526 -26.586 4.103 1.00 0.00 N ATOM 524 CA ALA A 36 42.974 -27.025 5.419 1.00 0.00 C ATOM 525 C ALA A 36 42.646 -28.497 5.647 1.00 0.00 C ATOM 526 O ALA A 36 43.317 -29.180 6.419 1.00 0.00 O ATOM 527 CB ALA A 36 42.344 -26.167 6.505 1.00 0.00 C ATOM 0 H ALA A 36 41.853 -25.820 4.121 1.00 0.00 H new ATOM 0 HA ALA A 36 44.057 -26.910 5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 36 42.688 -26.507 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 36 42.633 -25.126 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 36 41.259 -26.252 6.452 1.00 0.00 H new ATOM 533 N ASN A 37 41.607 -28.978 4.972 1.00 0.00 N ATOM 534 CA ASN A 37 41.188 -30.369 5.103 1.00 0.00 C ATOM 535 C ASN A 37 42.057 -31.282 4.243 1.00 0.00 C ATOM 536 O ASN A 37 42.185 -32.475 4.518 1.00 0.00 O ATOM 537 CB ASN A 37 39.719 -30.521 4.705 1.00 0.00 C ATOM 538 CG ASN A 37 38.865 -29.368 5.197 1.00 0.00 C ATOM 539 OD1 ASN A 37 39.039 -28.885 6.316 1.00 0.00 O ATOM 540 ND2 ASN A 37 37.935 -28.922 4.360 1.00 0.00 N ATOM 0 H ASN A 37 41.040 -28.425 4.329 1.00 0.00 H new ATOM 0 HA ASN A 37 41.306 -30.661 6.146 1.00 0.00 H new ATOM 0 HB2 ASN A 37 39.644 -30.588 3.620 1.00 0.00 H new ATOM 0 HB3 ASN A 37 39.331 -31.456 5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 37 37.330 -28.149 4.635 1.00 0.00 H new ATOM 0 HD22 ASN A 37 37.826 -29.353 3.442 1.00 0.00 H new ATOM 547 N HIS A 38 42.652 -30.712 3.200 1.00 0.00 N ATOM 548 CA HIS A 38 43.510 -31.474 2.299 1.00 0.00 C ATOM 549 C HIS A 38 42.738 -32.622 1.655 1.00 0.00 C ATOM 550 O HIS A 38 43.303 -33.676 1.362 1.00 0.00 O ATOM 551 CB HIS A 38 44.722 -32.020 3.055 1.00 0.00 C ATOM 552 CG HIS A 38 45.538 -30.958 3.725 1.00 0.00 C ATOM 553 ND1 HIS A 38 45.713 -30.894 5.091 1.00 0.00 N ATOM 554 CD2 HIS A 38 46.230 -29.916 3.209 1.00 0.00 C ATOM 555 CE1 HIS A 38 46.476 -29.857 5.387 1.00 0.00 C ATOM 556 NE2 HIS A 38 46.804 -29.247 4.262 1.00 0.00 N ATOM 0 H HIS A 38 42.556 -29.726 2.958 1.00 0.00 H new ATOM 0 HA HIS A 38 43.854 -30.804 1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 38 44.381 -32.732 3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 38 45.356 -32.569 2.360 1.00 0.00 H new ATOM 0 HD2 HIS A 38 46.315 -29.658 2.164 1.00 0.00 H new ATOM 0 HE1 HIS A 38 46.780 -29.559 6.380 1.00 0.00 H new ATOM 0 HE2 HIS A 38 47.389 -28.414 4.188 1.00 0.00 H new ATOM 564 N ASP A 39 41.445 -32.410 1.438 1.00 0.00 N ATOM 565 CA ASP A 39 40.595 -33.426 0.828 1.00 0.00 C ATOM 566 C ASP A 39 40.213 -33.033 -0.596 1.00 0.00 C ATOM 567 O ASP A 39 39.983 -33.891 -1.448 1.00 0.00 O ATOM 568 CB ASP A 39 39.334 -33.638 1.667 1.00 0.00 C ATOM 569 CG ASP A 39 38.481 -34.780 1.152 1.00 0.00 C ATOM 570 OD1 ASP A 39 39.030 -35.880 0.935 1.00 0.00 O ATOM 571 OD2 ASP A 39 37.263 -34.573 0.964 1.00 0.00 O ATOM 0 H ASP A 39 40.962 -31.543 1.675 1.00 0.00 H new ATOM 0 HA ASP A 39 41.158 -34.359 0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 39 39.618 -33.838 2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.745 -32.721 1.670 1.00 0.00 H new ATOM 576 N LYS A 40 40.146 -31.730 -0.846 1.00 0.00 N ATOM 577 CA LYS A 40 39.793 -31.221 -2.166 1.00 0.00 C ATOM 578 C LYS A 40 40.833 -30.222 -2.661 1.00 0.00 C ATOM 579 O LYS A 40 41.333 -29.401 -1.892 1.00 0.00 O ATOM 580 CB LYS A 40 38.413 -30.560 -2.127 1.00 0.00 C ATOM 581 CG LYS A 40 37.734 -30.489 -3.484 1.00 0.00 C ATOM 582 CD LYS A 40 36.413 -29.742 -3.408 1.00 0.00 C ATOM 583 CE LYS A 40 35.295 -30.638 -2.898 1.00 0.00 C ATOM 584 NZ LYS A 40 34.704 -31.463 -3.988 1.00 0.00 N ATOM 0 H LYS A 40 40.332 -31.007 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 40 39.767 -32.063 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 40 37.774 -31.113 -1.439 1.00 0.00 H new ATOM 0 HB3 LYS A 40 38.514 -29.551 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 40 38.393 -29.993 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 40 37.562 -31.498 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 40 36.519 -28.880 -2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 40 36.153 -29.360 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 40 35.682 -31.292 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 40 34.517 -30.025 -2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 33.946 -32.060 -3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 34.312 -30.839 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 35.441 -32.067 -4.405 1.00 0.00 H new ATOM 598 N GLU A 41 41.154 -30.297 -3.949 1.00 0.00 N ATOM 599 CA GLU A 41 42.136 -29.398 -4.544 1.00 0.00 C ATOM 600 C GLU A 41 41.447 -28.271 -5.308 1.00 0.00 C ATOM 601 O GLU A 41 40.277 -28.380 -5.675 1.00 0.00 O ATOM 602 CB GLU A 41 43.065 -30.171 -5.483 1.00 0.00 C ATOM 603 CG GLU A 41 43.652 -31.426 -4.859 1.00 0.00 C ATOM 604 CD GLU A 41 44.502 -32.218 -5.833 1.00 0.00 C ATOM 605 OE1 GLU A 41 44.269 -32.103 -7.055 1.00 0.00 O ATOM 606 OE2 GLU A 41 45.401 -32.954 -5.374 1.00 0.00 O ATOM 0 H GLU A 41 40.749 -30.970 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 41 42.727 -28.961 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 41 42.513 -30.446 -6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 41 43.878 -29.516 -5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 41 44.257 -31.149 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 41 42.843 -32.057 -4.492 1.00 0.00 H new ATOM 613 N ILE A 42 42.181 -27.188 -5.543 1.00 0.00 N ATOM 614 CA ILE A 42 41.642 -26.042 -6.264 1.00 0.00 C ATOM 615 C ILE A 42 42.464 -25.740 -7.512 1.00 0.00 C ATOM 616 O ILE A 42 43.677 -25.953 -7.536 1.00 0.00 O ATOM 617 CB ILE A 42 41.603 -24.786 -5.373 1.00 0.00 C ATOM 618 CG1 ILE A 42 40.928 -25.102 -4.037 1.00 0.00 C ATOM 619 CG2 ILE A 42 40.876 -23.654 -6.085 1.00 0.00 C ATOM 620 CD1 ILE A 42 39.476 -25.504 -4.173 1.00 0.00 C ATOM 0 H ILE A 42 43.150 -27.081 -5.244 1.00 0.00 H new ATOM 0 HA ILE A 42 40.625 -26.303 -6.557 1.00 0.00 H new ATOM 0 HB ILE A 42 42.626 -24.467 -5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 42 41.475 -25.906 -3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 42 40.995 -24.228 -3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 42 40.857 -22.773 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 42 41.395 -23.415 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 39.855 -23.962 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 42 39.062 -25.713 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 42 38.916 -24.692 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 42 39.402 -26.397 -4.794 1.00 0.00 H new ATOM 632 N PHE A 43 41.797 -25.242 -8.547 1.00 0.00 N ATOM 633 CA PHE A 43 42.466 -24.910 -9.800 1.00 0.00 C ATOM 634 C PHE A 43 42.160 -23.474 -10.215 1.00 0.00 C ATOM 635 O PHE A 43 41.023 -23.140 -10.548 1.00 0.00 O ATOM 636 CB PHE A 43 42.033 -25.875 -10.905 1.00 0.00 C ATOM 637 CG PHE A 43 42.599 -25.535 -12.254 1.00 0.00 C ATOM 638 CD1 PHE A 43 41.925 -24.673 -13.105 1.00 0.00 C ATOM 639 CD2 PHE A 43 43.804 -26.075 -12.671 1.00 0.00 C ATOM 640 CE1 PHE A 43 42.444 -24.359 -14.347 1.00 0.00 C ATOM 641 CE2 PHE A 43 44.328 -25.764 -13.912 1.00 0.00 C ATOM 642 CZ PHE A 43 43.647 -24.904 -14.750 1.00 0.00 C ATOM 0 H PHE A 43 40.794 -25.059 -8.543 1.00 0.00 H new ATOM 0 HA PHE A 43 43.541 -25.004 -9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 43 42.341 -26.885 -10.635 1.00 0.00 H new ATOM 0 HB3 PHE A 43 40.945 -25.879 -10.967 1.00 0.00 H new ATOM 0 HD1 PHE A 43 40.985 -24.242 -12.794 1.00 0.00 H new ATOM 0 HD2 PHE A 43 44.341 -26.748 -12.019 1.00 0.00 H new ATOM 0 HE1 PHE A 43 41.909 -23.688 -15.002 1.00 0.00 H new ATOM 0 HE2 PHE A 43 45.268 -26.193 -14.225 1.00 0.00 H new ATOM 0 HZ PHE A 43 44.055 -24.658 -15.719 1.00 0.00 H new ATOM 652 N PHE A 44 43.184 -22.627 -10.192 1.00 0.00 N ATOM 653 CA PHE A 44 43.027 -21.226 -10.565 1.00 0.00 C ATOM 654 C PHE A 44 44.006 -20.844 -11.671 1.00 0.00 C ATOM 655 O PHE A 44 45.161 -21.269 -11.667 1.00 0.00 O ATOM 656 CB PHE A 44 43.239 -20.325 -9.346 1.00 0.00 C ATOM 657 CG PHE A 44 44.670 -20.254 -8.896 1.00 0.00 C ATOM 658 CD1 PHE A 44 45.168 -21.164 -7.978 1.00 0.00 C ATOM 659 CD2 PHE A 44 45.518 -19.276 -9.391 1.00 0.00 C ATOM 660 CE1 PHE A 44 46.484 -21.102 -7.561 1.00 0.00 C ATOM 661 CE2 PHE A 44 46.836 -19.209 -8.979 1.00 0.00 C ATOM 662 CZ PHE A 44 47.319 -20.122 -8.062 1.00 0.00 C ATOM 0 H PHE A 44 44.132 -22.887 -9.919 1.00 0.00 H new ATOM 0 HA PHE A 44 42.013 -21.087 -10.939 1.00 0.00 H new ATOM 0 HB2 PHE A 44 42.890 -19.320 -9.582 1.00 0.00 H new ATOM 0 HB3 PHE A 44 42.625 -20.690 -8.523 1.00 0.00 H new ATOM 0 HD1 PHE A 44 44.519 -21.932 -7.583 1.00 0.00 H new ATOM 0 HD2 PHE A 44 45.145 -18.558 -10.107 1.00 0.00 H new ATOM 0 HE1 PHE A 44 46.859 -21.818 -6.845 1.00 0.00 H new ATOM 0 HE2 PHE A 44 47.487 -18.443 -9.374 1.00 0.00 H new ATOM 0 HZ PHE A 44 48.348 -20.070 -7.737 1.00 0.00 H new ATOM 672 N HIS A 45 43.534 -20.039 -12.618 1.00 0.00 N ATOM 673 CA HIS A 45 44.367 -19.599 -13.732 1.00 0.00 C ATOM 674 C HIS A 45 45.106 -18.310 -13.381 1.00 0.00 C ATOM 675 O HIS A 45 44.635 -17.515 -12.568 1.00 0.00 O ATOM 676 CB HIS A 45 43.514 -19.387 -14.982 1.00 0.00 C ATOM 677 CG HIS A 45 44.070 -20.049 -16.206 1.00 0.00 C ATOM 678 ND1 HIS A 45 44.603 -19.345 -17.265 1.00 0.00 N ATOM 679 CD2 HIS A 45 44.175 -21.357 -16.534 1.00 0.00 C ATOM 680 CE1 HIS A 45 45.010 -20.193 -18.193 1.00 0.00 C ATOM 681 NE2 HIS A 45 44.762 -21.420 -17.774 1.00 0.00 N ATOM 0 H HIS A 45 42.580 -19.678 -12.636 1.00 0.00 H new ATOM 0 HA HIS A 45 45.104 -20.377 -13.932 1.00 0.00 H new ATOM 0 HB2 HIS A 45 42.510 -19.770 -14.796 1.00 0.00 H new ATOM 0 HB3 HIS A 45 43.418 -18.318 -15.169 1.00 0.00 H new ATOM 0 HD2 HIS A 45 43.857 -22.196 -15.933 1.00 0.00 H new ATOM 0 HE1 HIS A 45 45.468 -19.927 -19.134 1.00 0.00 H new ATOM 0 HE2 HIS A 45 44.972 -22.276 -18.288 1.00 0.00 H new ATOM 689 N TYR A 46 46.264 -18.111 -14.000 1.00 0.00 N ATOM 690 CA TYR A 46 47.069 -16.921 -13.751 1.00 0.00 C ATOM 691 C TYR A 46 46.278 -15.654 -14.061 1.00 0.00 C ATOM 692 O TYR A 46 46.335 -14.675 -13.317 1.00 0.00 O ATOM 693 CB TYR A 46 48.345 -16.957 -14.593 1.00 0.00 C ATOM 694 CG TYR A 46 49.542 -17.513 -13.855 1.00 0.00 C ATOM 695 CD1 TYR A 46 49.432 -18.658 -13.076 1.00 0.00 C ATOM 696 CD2 TYR A 46 50.782 -16.892 -13.936 1.00 0.00 C ATOM 697 CE1 TYR A 46 50.523 -19.169 -12.399 1.00 0.00 C ATOM 698 CE2 TYR A 46 51.879 -17.397 -13.263 1.00 0.00 C ATOM 699 CZ TYR A 46 51.744 -18.535 -12.496 1.00 0.00 C ATOM 700 OH TYR A 46 52.833 -19.040 -11.824 1.00 0.00 O ATOM 0 H TYR A 46 46.666 -18.758 -14.678 1.00 0.00 H new ATOM 0 HA TYR A 46 47.339 -16.911 -12.695 1.00 0.00 H new ATOM 0 HB2 TYR A 46 48.166 -17.559 -15.484 1.00 0.00 H new ATOM 0 HB3 TYR A 46 48.575 -15.947 -14.932 1.00 0.00 H new ATOM 0 HD1 TYR A 46 48.478 -19.157 -12.998 1.00 0.00 H new ATOM 0 HD2 TYR A 46 50.891 -16.000 -14.535 1.00 0.00 H new ATOM 0 HE1 TYR A 46 50.420 -20.060 -11.797 1.00 0.00 H new ATOM 0 HE2 TYR A 46 52.836 -16.903 -13.338 1.00 0.00 H new ATOM 0 HH TYR A 46 53.128 -19.869 -12.255 1.00 0.00 H new ATOM 710 N SER A 47 45.539 -15.680 -15.166 1.00 0.00 N ATOM 711 CA SER A 47 44.738 -14.534 -15.578 1.00 0.00 C ATOM 712 C SER A 47 43.712 -14.175 -14.508 1.00 0.00 C ATOM 713 O SER A 47 43.359 -13.009 -14.339 1.00 0.00 O ATOM 714 CB SER A 47 44.030 -14.829 -16.901 1.00 0.00 C ATOM 715 OG SER A 47 44.769 -14.324 -18.000 1.00 0.00 O ATOM 0 H SER A 47 45.479 -16.483 -15.792 1.00 0.00 H new ATOM 0 HA SER A 47 45.407 -13.685 -15.714 1.00 0.00 H new ATOM 0 HB2 SER A 47 43.896 -15.905 -17.013 1.00 0.00 H new ATOM 0 HB3 SER A 47 43.036 -14.383 -16.892 1.00 0.00 H new ATOM 0 HG SER A 47 44.296 -14.527 -18.834 1.00 0.00 H new ATOM 721 N GLU A 48 43.239 -15.187 -13.788 1.00 0.00 N ATOM 722 CA GLU A 48 42.253 -14.979 -12.734 1.00 0.00 C ATOM 723 C GLU A 48 42.904 -14.384 -11.489 1.00 0.00 C ATOM 724 O GLU A 48 42.253 -13.697 -10.702 1.00 0.00 O ATOM 725 CB GLU A 48 41.564 -16.299 -12.381 1.00 0.00 C ATOM 726 CG GLU A 48 40.958 -17.008 -13.580 1.00 0.00 C ATOM 727 CD GLU A 48 39.931 -16.158 -14.303 1.00 0.00 C ATOM 728 OE1 GLU A 48 39.222 -15.382 -13.629 1.00 0.00 O ATOM 729 OE2 GLU A 48 39.837 -16.269 -15.543 1.00 0.00 O ATOM 0 H GLU A 48 43.522 -16.159 -13.915 1.00 0.00 H new ATOM 0 HA GLU A 48 41.507 -14.276 -13.104 1.00 0.00 H new ATOM 0 HB2 GLU A 48 42.288 -16.961 -11.905 1.00 0.00 H new ATOM 0 HB3 GLU A 48 40.780 -16.106 -11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 48 41.752 -17.281 -14.275 1.00 0.00 H new ATOM 0 HG3 GLU A 48 40.489 -17.935 -13.250 1.00 0.00 H new ATOM 736 N PHE A 49 44.194 -14.653 -11.317 1.00 0.00 N ATOM 737 CA PHE A 49 44.935 -14.146 -10.168 1.00 0.00 C ATOM 738 C PHE A 49 45.290 -12.674 -10.356 1.00 0.00 C ATOM 739 O PHE A 49 45.966 -12.305 -11.317 1.00 0.00 O ATOM 740 CB PHE A 49 46.208 -14.966 -9.953 1.00 0.00 C ATOM 741 CG PHE A 49 46.865 -14.717 -8.626 1.00 0.00 C ATOM 742 CD1 PHE A 49 47.651 -13.593 -8.427 1.00 0.00 C ATOM 743 CD2 PHE A 49 46.697 -15.606 -7.576 1.00 0.00 C ATOM 744 CE1 PHE A 49 48.257 -13.360 -7.207 1.00 0.00 C ATOM 745 CE2 PHE A 49 47.300 -15.378 -6.354 1.00 0.00 C ATOM 746 CZ PHE A 49 48.082 -14.254 -6.169 1.00 0.00 C ATOM 0 H PHE A 49 44.748 -15.220 -11.959 1.00 0.00 H new ATOM 0 HA PHE A 49 44.299 -14.238 -9.288 1.00 0.00 H new ATOM 0 HB2 PHE A 49 45.966 -16.026 -10.036 1.00 0.00 H new ATOM 0 HB3 PHE A 49 46.917 -14.737 -10.749 1.00 0.00 H new ATOM 0 HD1 PHE A 49 47.792 -12.891 -9.235 1.00 0.00 H new ATOM 0 HD2 PHE A 49 46.088 -16.487 -7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 49 48.867 -12.480 -7.065 1.00 0.00 H new ATOM 0 HE2 PHE A 49 47.160 -16.078 -5.544 1.00 0.00 H new ATOM 0 HZ PHE A 49 48.555 -14.075 -5.215 1.00 0.00 H new ATOM 756 N SER A 50 44.829 -11.838 -9.432 1.00 0.00 N ATOM 757 CA SER A 50 45.094 -10.405 -9.497 1.00 0.00 C ATOM 758 C SER A 50 46.117 -9.993 -8.442 1.00 0.00 C ATOM 759 O SER A 50 45.790 -9.858 -7.264 1.00 0.00 O ATOM 760 CB SER A 50 43.798 -9.616 -9.302 1.00 0.00 C ATOM 761 OG SER A 50 43.489 -8.850 -10.454 1.00 0.00 O ATOM 0 H SER A 50 44.270 -12.128 -8.629 1.00 0.00 H new ATOM 0 HA SER A 50 45.503 -10.181 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 50 42.979 -10.303 -9.088 1.00 0.00 H new ATOM 0 HB3 SER A 50 43.896 -8.957 -8.439 1.00 0.00 H new ATOM 0 HG SER A 50 42.656 -8.356 -10.305 1.00 0.00 H new ATOM 767 N GLY A 51 47.358 -9.794 -8.877 1.00 0.00 N ATOM 768 CA GLY A 51 48.410 -9.400 -7.959 1.00 0.00 C ATOM 769 C GLY A 51 49.768 -9.936 -8.368 1.00 0.00 C ATOM 770 O GLY A 51 50.151 -9.849 -9.535 1.00 0.00 O ATOM 0 H GLY A 51 47.653 -9.899 -9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 51 48.453 -8.312 -7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 51 48.168 -9.758 -6.958 1.00 0.00 H new ATOM 774 N ASP A 52 50.497 -10.491 -7.407 1.00 0.00 N ATOM 775 CA ASP A 52 51.820 -11.043 -7.673 1.00 0.00 C ATOM 776 C ASP A 52 51.784 -12.569 -7.668 1.00 0.00 C ATOM 777 O ASP A 52 52.021 -13.203 -6.640 1.00 0.00 O ATOM 778 CB ASP A 52 52.824 -10.542 -6.634 1.00 0.00 C ATOM 779 CG ASP A 52 53.388 -9.179 -6.985 1.00 0.00 C ATOM 780 OD1 ASP A 52 52.594 -8.280 -7.332 1.00 0.00 O ATOM 781 OD2 ASP A 52 54.624 -9.011 -6.913 1.00 0.00 O ATOM 0 H ASP A 52 50.194 -10.571 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 52 52.134 -10.708 -8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 52 52.339 -10.491 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 52 53.641 -11.259 -6.547 1.00 0.00 H new ATOM 786 N VAL A 53 51.484 -13.152 -8.825 1.00 0.00 N ATOM 787 CA VAL A 53 51.416 -14.603 -8.954 1.00 0.00 C ATOM 788 C VAL A 53 52.810 -15.210 -9.061 1.00 0.00 C ATOM 789 O VAL A 53 53.028 -16.360 -8.679 1.00 0.00 O ATOM 790 CB VAL A 53 50.591 -15.018 -10.186 1.00 0.00 C ATOM 791 CG1 VAL A 53 51.207 -14.454 -11.457 1.00 0.00 C ATOM 792 CG2 VAL A 53 50.478 -16.533 -10.265 1.00 0.00 C ATOM 0 H VAL A 53 51.284 -12.642 -9.686 1.00 0.00 H new ATOM 0 HA VAL A 53 50.927 -14.979 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 53 49.587 -14.606 -10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 53 50.610 -14.758 -12.317 1.00 0.00 H new ATOM 0 HG12 VAL A 53 51.230 -13.366 -11.398 1.00 0.00 H new ATOM 0 HG13 VAL A 53 52.223 -14.833 -11.568 1.00 0.00 H new ATOM 0 HG21 VAL A 53 49.892 -16.809 -11.142 1.00 0.00 H new ATOM 0 HG22 VAL A 53 51.474 -16.969 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 53 49.987 -16.909 -9.367 1.00 0.00 H new ATOM 802 N ASP A 54 53.751 -14.431 -9.584 1.00 0.00 N ATOM 803 CA ASP A 54 55.125 -14.892 -9.740 1.00 0.00 C ATOM 804 C ASP A 54 55.869 -14.844 -8.410 1.00 0.00 C ATOM 805 O ASP A 54 56.600 -15.772 -8.062 1.00 0.00 O ATOM 806 CB ASP A 54 55.856 -14.039 -10.779 1.00 0.00 C ATOM 807 CG ASP A 54 56.857 -14.842 -11.587 1.00 0.00 C ATOM 808 OD1 ASP A 54 56.444 -15.828 -12.232 1.00 0.00 O ATOM 809 OD2 ASP A 54 58.053 -14.484 -11.574 1.00 0.00 O ATOM 0 H ASP A 54 53.587 -13.477 -9.907 1.00 0.00 H new ATOM 0 HA ASP A 54 55.099 -15.926 -10.083 1.00 0.00 H new ATOM 0 HB2 ASP A 54 55.127 -13.589 -11.453 1.00 0.00 H new ATOM 0 HB3 ASP A 54 56.372 -13.222 -10.276 1.00 0.00 H new ATOM 814 N SER A 55 55.679 -13.756 -7.670 1.00 0.00 N ATOM 815 CA SER A 55 56.336 -13.585 -6.379 1.00 0.00 C ATOM 816 C SER A 55 55.890 -14.662 -5.395 1.00 0.00 C ATOM 817 O SER A 55 56.623 -15.018 -4.472 1.00 0.00 O ATOM 818 CB SER A 55 56.031 -12.199 -5.808 1.00 0.00 C ATOM 819 OG SER A 55 56.987 -11.829 -4.830 1.00 0.00 O ATOM 0 H SER A 55 55.076 -12.980 -7.942 1.00 0.00 H new ATOM 0 HA SER A 55 57.411 -13.679 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 55 56.026 -11.464 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 55 55.034 -12.195 -5.367 1.00 0.00 H new ATOM 0 HG SER A 55 56.771 -10.939 -4.482 1.00 0.00 H new ATOM 825 N LEU A 56 54.683 -15.178 -5.600 1.00 0.00 N ATOM 826 CA LEU A 56 54.137 -16.215 -4.732 1.00 0.00 C ATOM 827 C LEU A 56 55.113 -17.379 -4.593 1.00 0.00 C ATOM 828 O LEU A 56 55.938 -17.617 -5.475 1.00 0.00 O ATOM 829 CB LEU A 56 52.801 -16.717 -5.282 1.00 0.00 C ATOM 830 CG LEU A 56 51.546 -16.190 -4.585 1.00 0.00 C ATOM 831 CD1 LEU A 56 50.302 -16.543 -5.385 1.00 0.00 C ATOM 832 CD2 LEU A 56 51.449 -16.744 -3.171 1.00 0.00 C ATOM 0 H LEU A 56 54.064 -14.895 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 56 53.976 -15.781 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 56 52.744 -16.453 -6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 56 52.794 -17.805 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 56 51.617 -15.104 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 56 49.419 -16.160 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 56 50.369 -16.097 -6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 56 50.225 -17.626 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 56 50.550 -16.358 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 56 51.402 -17.832 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 56 52.326 -16.439 -2.600 1.00 0.00 H new ATOM 844 N GLU A 57 55.010 -18.102 -3.482 1.00 0.00 N ATOM 845 CA GLU A 57 55.884 -19.242 -3.230 1.00 0.00 C ATOM 846 C GLU A 57 55.163 -20.309 -2.412 1.00 0.00 C ATOM 847 O GLU A 57 54.197 -20.019 -1.705 1.00 0.00 O ATOM 848 CB GLU A 57 57.150 -18.791 -2.499 1.00 0.00 C ATOM 849 CG GLU A 57 58.276 -18.375 -3.430 1.00 0.00 C ATOM 850 CD GLU A 57 59.611 -18.975 -3.036 1.00 0.00 C ATOM 851 OE1 GLU A 57 59.710 -20.219 -2.979 1.00 0.00 O ATOM 852 OE2 GLU A 57 60.558 -18.200 -2.783 1.00 0.00 O ATOM 0 H GLU A 57 54.331 -17.919 -2.743 1.00 0.00 H new ATOM 0 HA GLU A 57 56.163 -19.673 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 57 56.903 -17.955 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 57 57.499 -19.603 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.032 -18.679 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 57 58.357 -17.288 -3.433 1.00 0.00 H new ATOM 859 N LEU A 58 55.638 -21.545 -2.513 1.00 0.00 N ATOM 860 CA LEU A 58 55.040 -22.658 -1.783 1.00 0.00 C ATOM 861 C LEU A 58 55.116 -22.425 -0.278 1.00 0.00 C ATOM 862 O LEU A 58 56.198 -22.246 0.279 1.00 0.00 O ATOM 863 CB LEU A 58 55.743 -23.967 -2.144 1.00 0.00 C ATOM 864 CG LEU A 58 55.892 -24.260 -3.638 1.00 0.00 C ATOM 865 CD1 LEU A 58 57.121 -25.118 -3.894 1.00 0.00 C ATOM 866 CD2 LEU A 58 54.642 -24.941 -4.175 1.00 0.00 C ATOM 0 H LEU A 58 56.436 -21.802 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 58 53.990 -22.726 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 58 56.736 -23.958 -1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 58 55.193 -24.789 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 58 56.020 -23.314 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 58 57.210 -25.316 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 58 58.010 -24.592 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 58 57.024 -26.062 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 58 54.766 -25.142 -5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 58 54.483 -25.880 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 58 53.781 -24.290 -4.027 1.00 0.00 H new ATOM 878 N GLY A 59 53.958 -22.429 0.376 1.00 0.00 N ATOM 879 CA GLY A 59 53.916 -22.219 1.811 1.00 0.00 C ATOM 880 C GLY A 59 53.369 -20.855 2.182 1.00 0.00 C ATOM 881 O GLY A 59 53.537 -20.398 3.313 1.00 0.00 O ATOM 0 H GLY A 59 53.049 -22.574 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 59 53.299 -22.991 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 59 54.920 -22.328 2.220 1.00 0.00 H new ATOM 885 N ASP A 60 52.716 -20.202 1.227 1.00 0.00 N ATOM 886 CA ASP A 60 52.144 -18.881 1.459 1.00 0.00 C ATOM 887 C ASP A 60 50.622 -18.952 1.528 1.00 0.00 C ATOM 888 O ASP A 60 50.021 -19.966 1.172 1.00 0.00 O ATOM 889 CB ASP A 60 52.571 -17.915 0.352 1.00 0.00 C ATOM 890 CG ASP A 60 53.865 -17.196 0.680 1.00 0.00 C ATOM 891 OD1 ASP A 60 53.905 -16.482 1.704 1.00 0.00 O ATOM 892 OD2 ASP A 60 54.839 -17.348 -0.088 1.00 0.00 O ATOM 0 H ASP A 60 52.570 -20.566 0.285 1.00 0.00 H new ATOM 0 HA ASP A 60 52.517 -18.514 2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 60 52.691 -18.466 -0.581 1.00 0.00 H new ATOM 0 HB3 ASP A 60 51.782 -17.181 0.190 1.00 0.00 H new ATOM 897 N MET A 61 50.004 -17.870 1.990 1.00 0.00 N ATOM 898 CA MET A 61 48.551 -17.811 2.106 1.00 0.00 C ATOM 899 C MET A 61 47.942 -17.058 0.927 1.00 0.00 C ATOM 900 O MET A 61 48.540 -16.119 0.402 1.00 0.00 O ATOM 901 CB MET A 61 48.150 -17.136 3.419 1.00 0.00 C ATOM 902 CG MET A 61 48.225 -18.059 4.624 1.00 0.00 C ATOM 903 SD MET A 61 49.240 -17.385 5.954 1.00 0.00 S ATOM 904 CE MET A 61 50.798 -18.214 5.644 1.00 0.00 C ATOM 0 H MET A 61 50.486 -17.023 2.290 1.00 0.00 H new ATOM 0 HA MET A 61 48.169 -18.832 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 61 48.798 -16.276 3.589 1.00 0.00 H new ATOM 0 HB3 MET A 61 47.133 -16.755 3.326 1.00 0.00 H new ATOM 0 HG2 MET A 61 47.218 -18.244 4.999 1.00 0.00 H new ATOM 0 HG3 MET A 61 48.631 -19.022 4.314 1.00 0.00 H new ATOM 0 HE1 MET A 61 51.531 -17.900 6.387 1.00 0.00 H new ATOM 0 HE2 MET A 61 50.655 -19.293 5.708 1.00 0.00 H new ATOM 0 HE3 MET A 61 51.156 -17.954 4.648 1.00 0.00 H new ATOM 914 N VAL A 62 46.749 -17.477 0.516 1.00 0.00 N ATOM 915 CA VAL A 62 46.059 -16.842 -0.600 1.00 0.00 C ATOM 916 C VAL A 62 44.546 -16.932 -0.434 1.00 0.00 C ATOM 917 O VAL A 62 44.024 -17.936 0.049 1.00 0.00 O ATOM 918 CB VAL A 62 46.456 -17.482 -1.943 1.00 0.00 C ATOM 919 CG1 VAL A 62 47.878 -17.096 -2.320 1.00 0.00 C ATOM 920 CG2 VAL A 62 46.306 -18.995 -1.877 1.00 0.00 C ATOM 0 H VAL A 62 46.241 -18.253 0.939 1.00 0.00 H new ATOM 0 HA VAL A 62 46.360 -15.794 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 62 45.786 -17.106 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 62 48.140 -17.558 -3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 62 47.949 -16.012 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 62 48.566 -17.441 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 62 46.591 -19.431 -2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 62 46.951 -19.391 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 62 45.269 -19.249 -1.657 1.00 0.00 H new ATOM 930 N GLU A 63 43.848 -15.875 -0.838 1.00 0.00 N ATOM 931 CA GLU A 63 42.394 -15.836 -0.733 1.00 0.00 C ATOM 932 C GLU A 63 41.743 -16.143 -2.078 1.00 0.00 C ATOM 933 O GLU A 63 42.244 -15.741 -3.129 1.00 0.00 O ATOM 934 CB GLU A 63 41.934 -14.465 -0.232 1.00 0.00 C ATOM 935 CG GLU A 63 41.459 -14.473 1.212 1.00 0.00 C ATOM 936 CD GLU A 63 41.654 -13.134 1.897 1.00 0.00 C ATOM 937 OE1 GLU A 63 41.117 -12.126 1.393 1.00 0.00 O ATOM 938 OE2 GLU A 63 42.344 -13.095 2.937 1.00 0.00 O ATOM 0 H GLU A 63 44.265 -15.036 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 63 42.086 -16.599 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 63 42.756 -13.756 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 63 41.126 -14.107 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 63 40.403 -14.742 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 63 42.000 -15.242 1.764 1.00 0.00 H new ATOM 945 N TYR A 64 40.624 -16.858 -2.038 1.00 0.00 N ATOM 946 CA TYR A 64 39.906 -17.223 -3.253 1.00 0.00 C ATOM 947 C TYR A 64 38.422 -17.433 -2.966 1.00 0.00 C ATOM 948 O TYR A 64 37.973 -17.297 -1.828 1.00 0.00 O ATOM 949 CB TYR A 64 40.503 -18.492 -3.863 1.00 0.00 C ATOM 950 CG TYR A 64 40.367 -19.711 -2.979 1.00 0.00 C ATOM 951 CD1 TYR A 64 39.247 -20.529 -3.059 1.00 0.00 C ATOM 952 CD2 TYR A 64 41.358 -20.043 -2.063 1.00 0.00 C ATOM 953 CE1 TYR A 64 39.118 -21.644 -2.252 1.00 0.00 C ATOM 954 CE2 TYR A 64 41.238 -21.156 -1.254 1.00 0.00 C ATOM 955 CZ TYR A 64 40.116 -21.953 -1.352 1.00 0.00 C ATOM 956 OH TYR A 64 39.992 -23.062 -0.547 1.00 0.00 O ATOM 0 H TYR A 64 40.195 -17.196 -1.177 1.00 0.00 H new ATOM 0 HA TYR A 64 40.008 -16.404 -3.965 1.00 0.00 H new ATOM 0 HB2 TYR A 64 40.016 -18.690 -4.818 1.00 0.00 H new ATOM 0 HB3 TYR A 64 41.559 -18.322 -4.073 1.00 0.00 H new ATOM 0 HD1 TYR A 64 38.464 -20.290 -3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 64 42.237 -19.420 -1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 64 38.241 -22.269 -2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 64 42.018 -21.401 -0.549 1.00 0.00 H new ATOM 0 HH TYR A 64 40.781 -23.138 0.029 1.00 0.00 H new ATOM 966 N SER A 65 37.666 -17.766 -4.007 1.00 0.00 N ATOM 967 CA SER A 65 36.232 -17.992 -3.870 1.00 0.00 C ATOM 968 C SER A 65 35.805 -19.245 -4.628 1.00 0.00 C ATOM 969 O SER A 65 36.505 -19.709 -5.528 1.00 0.00 O ATOM 970 CB SER A 65 35.452 -16.780 -4.383 1.00 0.00 C ATOM 971 OG SER A 65 36.173 -15.580 -4.167 1.00 0.00 O ATOM 0 H SER A 65 38.023 -17.885 -4.955 1.00 0.00 H new ATOM 0 HA SER A 65 36.011 -18.136 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 65 35.248 -16.899 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 65 34.488 -16.724 -3.878 1.00 0.00 H new ATOM 0 HG SER A 65 35.654 -14.821 -4.505 1.00 0.00 H new ATOM 977 N LEU A 66 34.651 -19.788 -4.257 1.00 0.00 N ATOM 978 CA LEU A 66 34.128 -20.988 -4.901 1.00 0.00 C ATOM 979 C LEU A 66 32.914 -20.658 -5.764 1.00 0.00 C ATOM 980 O LEU A 66 32.223 -19.668 -5.528 1.00 0.00 O ATOM 981 CB LEU A 66 33.750 -22.032 -3.849 1.00 0.00 C ATOM 982 CG LEU A 66 34.882 -22.505 -2.936 1.00 0.00 C ATOM 983 CD1 LEU A 66 34.395 -23.608 -2.009 1.00 0.00 C ATOM 984 CD2 LEU A 66 36.067 -22.985 -3.762 1.00 0.00 C ATOM 0 H LEU A 66 34.059 -19.417 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 66 34.909 -21.394 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 66 32.956 -21.620 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 66 33.336 -22.901 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 66 35.207 -21.663 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.214 -23.932 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 66 33.578 -23.231 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 66 34.043 -24.452 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 66 36.863 -23.318 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 66 35.755 -23.814 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 66 36.432 -22.168 -4.384 1.00 0.00 H new ATOM 1117 N SER A 75 36.799 -24.930 -9.138 1.00 0.00 N ATOM 1118 CA SER A 75 37.894 -24.019 -9.449 1.00 0.00 C ATOM 1119 C SER A 75 37.741 -22.705 -8.690 1.00 0.00 C ATOM 1120 O SER A 75 36.634 -22.316 -8.319 1.00 0.00 O ATOM 1121 CB SER A 75 37.949 -23.749 -10.954 1.00 0.00 C ATOM 1122 OG SER A 75 36.771 -24.201 -11.597 1.00 0.00 O ATOM 0 HA SER A 75 38.826 -24.491 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 75 38.076 -22.681 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 75 38.817 -24.249 -11.385 1.00 0.00 H new ATOM 0 HG SER A 75 36.258 -24.765 -10.981 1.00 0.00 H new ATOM 1128 N ALA A 76 38.860 -22.026 -8.462 1.00 0.00 N ATOM 1129 CA ALA A 76 38.851 -20.755 -7.749 1.00 0.00 C ATOM 1130 C ALA A 76 38.768 -19.582 -8.719 1.00 0.00 C ATOM 1131 O ALA A 76 39.374 -19.606 -9.790 1.00 0.00 O ATOM 1132 CB ALA A 76 40.090 -20.632 -6.874 1.00 0.00 C ATOM 0 H ALA A 76 39.785 -22.335 -8.761 1.00 0.00 H new ATOM 0 HA ALA A 76 37.966 -20.730 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 76 40.070 -19.678 -6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 76 40.106 -21.446 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 76 40.982 -20.684 -7.498 1.00 0.00 H new ATOM 1138 N GLU A 77 38.013 -18.556 -8.337 1.00 0.00 N ATOM 1139 CA GLU A 77 37.850 -17.375 -9.176 1.00 0.00 C ATOM 1140 C GLU A 77 38.289 -16.116 -8.433 1.00 0.00 C ATOM 1141 O GLU A 77 38.076 -15.986 -7.228 1.00 0.00 O ATOM 1142 CB GLU A 77 36.393 -17.235 -9.622 1.00 0.00 C ATOM 1143 CG GLU A 77 35.401 -17.240 -8.471 1.00 0.00 C ATOM 1144 CD GLU A 77 34.475 -16.039 -8.493 1.00 0.00 C ATOM 1145 OE1 GLU A 77 34.901 -14.952 -8.052 1.00 0.00 O ATOM 1146 OE2 GLU A 77 33.323 -16.188 -8.954 1.00 0.00 O ATOM 0 H GLU A 77 37.505 -18.519 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 77 38.481 -17.496 -10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 77 36.281 -16.307 -10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 77 36.150 -18.051 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 77 34.807 -18.153 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 77 35.946 -17.257 -7.527 1.00 0.00 H new ATOM 1153 N LYS A 78 38.902 -15.190 -9.162 1.00 0.00 N ATOM 1154 CA LYS A 78 39.371 -13.940 -8.575 1.00 0.00 C ATOM 1155 C LYS A 78 40.264 -14.207 -7.368 1.00 0.00 C ATOM 1156 O LYS A 78 39.891 -13.916 -6.231 1.00 0.00 O ATOM 1157 CB LYS A 78 38.183 -13.069 -8.162 1.00 0.00 C ATOM 1158 CG LYS A 78 37.499 -12.379 -9.330 1.00 0.00 C ATOM 1159 CD LYS A 78 36.852 -11.072 -8.904 1.00 0.00 C ATOM 1160 CE LYS A 78 35.408 -11.279 -8.473 1.00 0.00 C ATOM 1161 NZ LYS A 78 35.314 -11.779 -7.074 1.00 0.00 N ATOM 0 H LYS A 78 39.086 -15.281 -10.161 1.00 0.00 H new ATOM 0 HA LYS A 78 39.956 -13.411 -9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 78 37.454 -13.688 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 78 38.526 -12.314 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 78 38.228 -12.186 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 78 36.742 -13.040 -9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 78 37.419 -10.635 -8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 78 36.888 -10.361 -9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 78 34.865 -10.338 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 78 34.926 -11.989 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 34.500 -11.336 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 35.190 -12.812 -7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 36.186 -11.539 -6.560 1.00 0.00 H new ATOM 1175 N VAL A 79 41.444 -14.763 -7.621 1.00 0.00 N ATOM 1176 CA VAL A 79 42.391 -15.067 -6.554 1.00 0.00 C ATOM 1177 C VAL A 79 43.335 -13.896 -6.307 1.00 0.00 C ATOM 1178 O VAL A 79 43.678 -13.157 -7.229 1.00 0.00 O ATOM 1179 CB VAL A 79 43.222 -16.322 -6.882 1.00 0.00 C ATOM 1180 CG1 VAL A 79 44.118 -16.691 -5.710 1.00 0.00 C ATOM 1181 CG2 VAL A 79 42.311 -17.482 -7.253 1.00 0.00 C ATOM 0 H VAL A 79 41.768 -15.012 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 79 41.805 -15.253 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 79 43.858 -16.101 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 79 44.697 -17.580 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 79 44.796 -15.865 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 79 43.504 -16.893 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 79 42.915 -18.360 -7.482 1.00 0.00 H new ATOM 0 HG22 VAL A 79 41.648 -17.705 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 79 41.717 -17.213 -8.126 1.00 0.00 H new ATOM 1191 N ASN A 80 43.752 -13.733 -5.056 1.00 0.00 N ATOM 1192 CA ASN A 80 44.658 -12.651 -4.687 1.00 0.00 C ATOM 1193 C ASN A 80 45.370 -12.962 -3.374 1.00 0.00 C ATOM 1194 O ASN A 80 44.823 -13.638 -2.502 1.00 0.00 O ATOM 1195 CB ASN A 80 43.888 -11.334 -4.563 1.00 0.00 C ATOM 1196 CG ASN A 80 43.143 -11.222 -3.247 1.00 0.00 C ATOM 1197 OD1 ASN A 80 42.365 -12.247 -2.918 1.00 0.00 O flip ATOM 1198 ND2 ASN A 80 43.265 -10.225 -2.534 1.00 0.00 N flip ATOM 0 H ASN A 80 43.477 -14.336 -4.281 1.00 0.00 H new ATOM 0 HA ASN A 80 45.408 -12.554 -5.472 1.00 0.00 H new ATOM 0 HB2 ASN A 80 44.583 -10.500 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 80 43.179 -11.252 -5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 80 43.874 -9.461 -2.826 1.00 0.00 H new ATOM 0 HD22 ASN A 80 42.757 -10.164 -1.652 1.00 0.00 H new ATOM 1205 N LYS A 81 46.595 -12.463 -3.239 1.00 0.00 N ATOM 1206 CA LYS A 81 47.383 -12.685 -2.033 1.00 0.00 C ATOM 1207 C LYS A 81 46.747 -11.992 -0.832 1.00 0.00 C ATOM 1208 O LYS A 81 45.867 -11.144 -0.985 1.00 0.00 O ATOM 1209 CB LYS A 81 48.812 -12.175 -2.232 1.00 0.00 C ATOM 1210 CG LYS A 81 49.826 -13.281 -2.468 1.00 0.00 C ATOM 1211 CD LYS A 81 51.217 -12.867 -2.020 1.00 0.00 C ATOM 1212 CE LYS A 81 51.335 -12.855 -0.504 1.00 0.00 C ATOM 1213 NZ LYS A 81 52.376 -13.804 -0.021 1.00 0.00 N ATOM 0 H LYS A 81 47.063 -11.902 -3.951 1.00 0.00 H new ATOM 0 HA LYS A 81 47.410 -13.757 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 81 48.830 -11.491 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 81 49.110 -11.602 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 81 49.521 -14.177 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 81 49.845 -13.538 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 81 51.954 -13.553 -2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 81 51.446 -11.876 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 81 51.578 -11.847 -0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 81 50.373 -13.116 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 52.426 -13.766 1.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 52.132 -14.769 -0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 53.299 -13.540 -0.421 1.00 0.00 H new ATOM 1227 N THR A 82 47.199 -12.357 0.364 1.00 0.00 N ATOM 1228 CA THR A 82 46.674 -11.771 1.591 1.00 0.00 C ATOM 1229 C THR A 82 47.612 -12.023 2.765 1.00 0.00 C ATOM 1230 O THR A 82 48.393 -12.975 2.756 1.00 0.00 O ATOM 1231 CB THR A 82 45.281 -12.333 1.931 1.00 0.00 C ATOM 1232 OG1 THR A 82 44.735 -11.639 3.059 1.00 0.00 O ATOM 1233 CG2 THR A 82 45.358 -13.822 2.234 1.00 0.00 C ATOM 0 H THR A 82 47.928 -13.056 0.509 1.00 0.00 H new ATOM 0 HA THR A 82 46.592 -10.698 1.419 1.00 0.00 H new ATOM 0 HB THR A 82 44.633 -12.187 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 82 43.835 -11.977 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 82 44.362 -14.197 2.471 1.00 0.00 H new ATOM 0 HG22 THR A 82 45.747 -14.351 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 82 46.020 -13.987 3.084 1.00 0.00 H new