USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 439 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 23 ASN : amide:sc= 0.262 K(o=0.26,f=-4.5!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0574) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -140:sc= -1.21 USER MOD Single : A 37 THR OG1 : rot 63:sc= 0.327 USER MOD Single : A 38 GLN : amide:sc= -0.0713 X(o=-0.071,f=0) USER MOD Single : A 39 MET CE :methyl 178:sc= -0.0182 (180deg=-0.0305) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0.429 (180deg=0.371) USER MOD Single : A 59 MET CE :methyl 176:sc= -2.8 (180deg=-3.27!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 157:sc= -1.56 (180deg=-3.68!) USER MOD Single : A 67 TYR OH : rot 112:sc= 0.0215 USER MOD Single : A 68 THR OG1 : rot 59:sc= 0.512 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.079 -4.136 6.880 1.00 0.00 N ATOM 288 CA ASN A 23 -2.052 -3.422 7.699 1.00 0.00 C ATOM 289 C ASN A 23 -2.724 -2.310 6.900 1.00 0.00 C ATOM 290 O ASN A 23 -2.281 -1.963 5.806 1.00 0.00 O ATOM 291 CB ASN A 23 -1.373 -2.837 8.939 1.00 0.00 C ATOM 292 CG ASN A 23 -2.355 -2.570 10.064 1.00 0.00 C ATOM 293 OD1 ASN A 23 -3.523 -2.952 9.987 1.00 0.00 O ATOM 294 ND2 ASN A 23 -1.884 -1.911 11.117 1.00 0.00 N ATOM 0 HA ASN A 23 -2.817 -4.132 8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.604 -3.526 9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.871 -1.908 8.671 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.498 -1.703 11.905 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.909 -1.613 11.138 1.00 0.00 H new ATOM 301 N ALA A 24 -3.796 -1.754 7.456 1.00 0.00 N ATOM 302 CA ALA A 24 -4.528 -0.680 6.797 1.00 0.00 C ATOM 303 C ALA A 24 -3.600 0.476 6.437 1.00 0.00 C ATOM 304 O ALA A 24 -3.555 0.913 5.287 1.00 0.00 O ATOM 305 CB ALA A 24 -5.661 -0.190 7.687 1.00 0.00 C ATOM 0 H ALA A 24 -4.176 -2.030 8.361 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.950 -1.075 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.199 0.612 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.345 -1.013 7.891 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.251 0.183 8.626 1.00 0.00 H new ATOM 311 N PHE A 25 -2.861 0.966 7.426 1.00 0.00 N ATOM 312 CA PHE A 25 -1.935 2.073 7.213 1.00 0.00 C ATOM 313 C PHE A 25 -0.960 1.756 6.082 1.00 0.00 C ATOM 314 O PHE A 25 -0.661 2.611 5.249 1.00 0.00 O ATOM 315 CB PHE A 25 -1.162 2.373 8.499 1.00 0.00 C ATOM 316 CG PHE A 25 -0.193 3.513 8.363 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.648 4.816 8.240 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.173 3.282 8.359 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.241 5.866 8.114 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.067 4.328 8.234 1.00 0.00 C ATOM 321 CZ PHE A 25 1.600 5.622 8.112 1.00 0.00 C ATOM 0 H PHE A 25 -2.885 0.614 8.383 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.516 2.952 6.933 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.871 2.602 9.295 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.618 1.479 8.804 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.710 5.013 8.243 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.544 2.272 8.455 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.127 6.877 8.017 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.129 4.134 8.232 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.297 6.442 8.015 1.00 0.00 H new ATOM 331 N MET A 26 -0.469 0.521 6.062 1.00 0.00 N ATOM 332 CA MET A 26 0.472 0.091 5.033 1.00 0.00 C ATOM 333 C MET A 26 -0.068 0.399 3.640 1.00 0.00 C ATOM 334 O MET A 26 0.653 0.914 2.784 1.00 0.00 O ATOM 335 CB MET A 26 0.753 -1.407 5.164 1.00 0.00 C ATOM 336 CG MET A 26 1.225 -1.818 6.549 1.00 0.00 C ATOM 337 SD MET A 26 2.411 -3.176 6.504 1.00 0.00 S ATOM 338 CE MET A 26 3.351 -2.853 7.994 1.00 0.00 C ATOM 0 H MET A 26 -0.706 -0.199 6.745 1.00 0.00 H new ATOM 0 HA MET A 26 1.402 0.642 5.173 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.153 -1.961 4.919 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.509 -1.692 4.432 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.680 -0.960 7.043 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.364 -2.112 7.150 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.126 -3.611 8.106 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.813 -1.868 7.926 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.686 -2.883 8.857 1.00 0.00 H new ATOM 348 N LEU A 27 -1.338 0.082 3.419 1.00 0.00 N ATOM 349 CA LEU A 27 -1.974 0.325 2.129 1.00 0.00 C ATOM 350 C LEU A 27 -1.998 1.816 1.805 1.00 0.00 C ATOM 351 O LEU A 27 -1.925 2.210 0.641 1.00 0.00 O ATOM 352 CB LEU A 27 -3.399 -0.231 2.127 1.00 0.00 C ATOM 353 CG LEU A 27 -3.863 -0.887 0.826 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.991 -2.088 0.493 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.324 -1.298 0.927 1.00 0.00 C ATOM 0 H LEU A 27 -1.948 -0.344 4.116 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.390 -0.185 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.483 -0.964 2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.085 0.582 2.365 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.766 -0.159 0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.336 -2.542 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.956 -1.765 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.055 -2.819 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.637 -1.763 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.446 -2.009 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.937 -0.417 1.117 1.00 0.00 H new ATOM 367 N PHE A 28 -2.097 2.639 2.843 1.00 0.00 N ATOM 368 CA PHE A 28 -2.128 4.087 2.670 1.00 0.00 C ATOM 369 C PHE A 28 -0.738 4.626 2.347 1.00 0.00 C ATOM 370 O PHE A 28 -0.522 5.222 1.292 1.00 0.00 O ATOM 371 CB PHE A 28 -2.668 4.761 3.933 1.00 0.00 C ATOM 372 CG PHE A 28 -2.459 6.248 3.955 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.303 6.791 4.494 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.417 7.104 3.437 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.107 8.159 4.515 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.227 8.473 3.455 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.070 9.001 3.996 1.00 0.00 C ATOM 0 H PHE A 28 -2.157 2.329 3.813 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.790 4.314 1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.734 4.551 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.184 4.321 4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.547 6.137 4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.323 6.697 3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.201 8.569 4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.982 9.129 3.047 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.920 10.070 4.013 1.00 0.00 H new ATOM 387 N ALA A 29 0.201 4.413 3.263 1.00 0.00 N ATOM 388 CA ALA A 29 1.570 4.876 3.076 1.00 0.00 C ATOM 389 C ALA A 29 2.154 4.348 1.770 1.00 0.00 C ATOM 390 O ALA A 29 3.055 4.955 1.190 1.00 0.00 O ATOM 391 CB ALA A 29 2.436 4.452 4.253 1.00 0.00 C ATOM 0 H ALA A 29 0.038 3.922 4.142 1.00 0.00 H new ATOM 0 HA ALA A 29 1.555 5.965 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.456 4.805 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.037 4.882 5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.436 3.365 4.332 1.00 0.00 H new ATOM 397 N LYS A 30 1.636 3.214 1.311 1.00 0.00 N ATOM 398 CA LYS A 30 2.105 2.604 0.072 1.00 0.00 C ATOM 399 C LYS A 30 1.454 3.263 -1.140 1.00 0.00 C ATOM 400 O LYS A 30 2.140 3.765 -2.030 1.00 0.00 O ATOM 401 CB LYS A 30 1.804 1.104 0.073 1.00 0.00 C ATOM 402 CG LYS A 30 2.334 0.376 -1.150 1.00 0.00 C ATOM 403 CD LYS A 30 2.188 -1.130 -1.011 1.00 0.00 C ATOM 404 CE LYS A 30 2.405 -1.836 -2.340 1.00 0.00 C ATOM 405 NZ LYS A 30 3.795 -1.657 -2.844 1.00 0.00 N ATOM 0 H LYS A 30 0.891 2.698 1.779 1.00 0.00 H new ATOM 0 HA LYS A 30 3.183 2.753 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.236 0.656 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.725 0.959 0.133 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.797 0.714 -2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.384 0.628 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.906 -1.500 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.195 -1.367 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.195 -2.899 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.700 -1.450 -3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.902 -2.153 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.988 -0.644 -2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.468 -2.049 -2.154 1.00 0.00 H new ATOM 419 N LYS A 31 0.125 3.260 -1.167 1.00 0.00 N ATOM 420 CA LYS A 31 -0.620 3.859 -2.267 1.00 0.00 C ATOM 421 C LYS A 31 -0.272 5.337 -2.418 1.00 0.00 C ATOM 422 O LYS A 31 -0.245 5.868 -3.529 1.00 0.00 O ATOM 423 CB LYS A 31 -2.124 3.699 -2.039 1.00 0.00 C ATOM 424 CG LYS A 31 -2.949 3.832 -3.307 1.00 0.00 C ATOM 425 CD LYS A 31 -4.412 3.505 -3.058 1.00 0.00 C ATOM 426 CE LYS A 31 -5.170 4.712 -2.526 1.00 0.00 C ATOM 427 NZ LYS A 31 -5.449 5.707 -3.598 1.00 0.00 N ATOM 0 H LYS A 31 -0.458 2.849 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.342 3.342 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.313 2.723 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.456 4.448 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.863 4.848 -3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.551 3.165 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.873 3.164 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.486 2.684 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.110 4.384 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.590 5.185 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.094 6.437 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.558 6.151 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.890 5.229 -4.409 1.00 0.00 H new ATOM 441 N TYR A 32 -0.005 5.995 -1.296 1.00 0.00 N ATOM 442 CA TYR A 32 0.340 7.411 -1.304 1.00 0.00 C ATOM 443 C TYR A 32 1.853 7.604 -1.247 1.00 0.00 C ATOM 444 O TYR A 32 2.341 8.721 -1.079 1.00 0.00 O ATOM 445 CB TYR A 32 -0.320 8.125 -0.124 1.00 0.00 C ATOM 446 CG TYR A 32 -1.728 8.597 -0.412 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.632 7.780 -1.080 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.153 9.860 -0.018 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.919 8.207 -1.346 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.438 10.294 -0.279 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.317 9.464 -0.943 1.00 0.00 C ATOM 452 OH TYR A 32 -5.598 9.894 -1.206 1.00 0.00 O ATOM 0 H TYR A 32 -0.021 5.570 -0.369 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.029 7.843 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.340 7.451 0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.291 8.982 0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.324 6.795 -1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.467 10.513 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.609 7.560 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.753 11.278 0.035 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.717 10.801 -0.855 1.00 0.00 H new ATOM 462 N ARG A 33 2.588 6.506 -1.389 1.00 0.00 N ATOM 463 CA ARG A 33 4.045 6.552 -1.354 1.00 0.00 C ATOM 464 C ARG A 33 4.589 7.400 -2.499 1.00 0.00 C ATOM 465 O ARG A 33 5.145 8.476 -2.279 1.00 0.00 O ATOM 466 CB ARG A 33 4.623 5.138 -1.432 1.00 0.00 C ATOM 467 CG ARG A 33 6.047 5.032 -0.910 1.00 0.00 C ATOM 468 CD ARG A 33 7.055 5.519 -1.940 1.00 0.00 C ATOM 469 NE ARG A 33 8.397 5.010 -1.674 1.00 0.00 N ATOM 470 CZ ARG A 33 8.751 3.742 -1.852 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.866 2.859 -2.293 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.993 3.355 -1.588 1.00 0.00 N ATOM 0 H ARG A 33 2.199 5.574 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 33 4.347 7.009 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.985 4.462 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.599 4.802 -2.468 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.146 5.619 0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.264 3.996 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.738 5.204 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.074 6.609 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 33 9.102 5.664 -1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.911 3.153 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.140 1.886 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.677 4.031 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.264 2.381 -1.725 1.00 0.00 H new ATOM 486 N VAL A 34 4.427 6.907 -3.723 1.00 0.00 N ATOM 487 CA VAL A 34 4.901 7.619 -4.904 1.00 0.00 C ATOM 488 C VAL A 34 4.213 8.972 -5.043 1.00 0.00 C ATOM 489 O VAL A 34 4.821 9.946 -5.485 1.00 0.00 O ATOM 490 CB VAL A 34 4.665 6.800 -6.186 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.184 6.495 -6.360 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.211 7.539 -7.398 1.00 0.00 C ATOM 0 H VAL A 34 3.971 6.017 -3.923 1.00 0.00 H new ATOM 0 HA VAL A 34 5.972 7.772 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 34 5.198 5.854 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.036 5.916 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.827 5.922 -5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.626 7.429 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.036 6.946 -8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.708 8.501 -7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.282 7.701 -7.274 1.00 0.00 H new ATOM 502 N GLU A 35 2.940 9.024 -4.664 1.00 0.00 N ATOM 503 CA GLU A 35 2.168 10.258 -4.747 1.00 0.00 C ATOM 504 C GLU A 35 2.902 11.407 -4.061 1.00 0.00 C ATOM 505 O GLU A 35 2.845 12.551 -4.511 1.00 0.00 O ATOM 506 CB GLU A 35 0.789 10.068 -4.112 1.00 0.00 C ATOM 507 CG GLU A 35 0.041 8.852 -4.633 1.00 0.00 C ATOM 508 CD GLU A 35 0.159 8.696 -6.137 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.113 9.724 -6.845 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.295 7.547 -6.605 1.00 0.00 O ATOM 0 H GLU A 35 2.422 8.226 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 35 2.043 10.507 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.905 9.977 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.188 10.959 -4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.428 7.956 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.011 8.933 -4.361 1.00 0.00 H new ATOM 517 N TYR A 36 3.590 11.092 -2.969 1.00 0.00 N ATOM 518 CA TYR A 36 4.334 12.097 -2.218 1.00 0.00 C ATOM 519 C TYR A 36 5.796 12.131 -2.653 1.00 0.00 C ATOM 520 O TYR A 36 6.472 13.152 -2.520 1.00 0.00 O ATOM 521 CB TYR A 36 4.243 11.813 -0.718 1.00 0.00 C ATOM 522 CG TYR A 36 2.952 12.285 -0.089 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.722 11.860 -0.576 1.00 0.00 C ATOM 524 CD2 TYR A 36 2.961 13.157 0.993 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.540 12.289 -0.005 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.784 13.591 1.571 1.00 0.00 C ATOM 527 CZ TYR A 36 0.576 13.155 1.069 1.00 0.00 C ATOM 528 OH TYR A 36 -0.599 13.584 1.641 1.00 0.00 O ATOM 0 H TYR A 36 3.648 10.149 -2.584 1.00 0.00 H new ATOM 0 HA TYR A 36 3.890 13.071 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.347 10.741 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.080 12.296 -0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.690 11.182 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.905 13.501 1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.407 11.949 -0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.810 14.268 2.412 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.523 14.533 1.872 1.00 0.00 H new ATOM 538 N THR A 37 6.278 11.007 -3.175 1.00 0.00 N ATOM 539 CA THR A 37 7.658 10.907 -3.630 1.00 0.00 C ATOM 540 C THR A 37 7.920 11.842 -4.805 1.00 0.00 C ATOM 541 O THR A 37 9.023 12.364 -4.960 1.00 0.00 O ATOM 542 CB THR A 37 8.009 9.466 -4.047 1.00 0.00 C ATOM 543 OG1 THR A 37 7.640 8.552 -3.008 1.00 0.00 O ATOM 544 CG2 THR A 37 9.496 9.334 -4.341 1.00 0.00 C ATOM 0 H THR A 37 5.732 10.153 -3.293 1.00 0.00 H new ATOM 0 HA THR A 37 8.289 11.199 -2.790 1.00 0.00 H new ATOM 0 HB THR A 37 7.453 9.228 -4.954 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.669 8.581 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.719 8.308 -4.633 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.768 10.010 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.067 9.590 -3.449 1.00 0.00 H new ATOM 552 N GLN A 38 6.898 12.048 -5.629 1.00 0.00 N ATOM 553 CA GLN A 38 7.019 12.921 -6.791 1.00 0.00 C ATOM 554 C GLN A 38 6.520 14.326 -6.470 1.00 0.00 C ATOM 555 O GLN A 38 6.946 15.302 -7.087 1.00 0.00 O ATOM 556 CB GLN A 38 6.234 12.346 -7.971 1.00 0.00 C ATOM 557 CG GLN A 38 6.515 10.875 -8.230 1.00 0.00 C ATOM 558 CD GLN A 38 5.781 10.345 -9.446 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.388 9.769 -10.349 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.468 10.537 -9.475 1.00 0.00 N ATOM 0 H GLN A 38 5.978 11.623 -5.514 1.00 0.00 H new ATOM 0 HA GLN A 38 8.073 12.982 -7.060 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.168 12.476 -7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.473 12.917 -8.868 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.587 10.733 -8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.226 10.294 -7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.006 11.020 -8.704 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.921 10.202 -10.268 1.00 0.00 H new ATOM 569 N MET A 39 5.615 14.421 -5.502 1.00 0.00 N ATOM 570 CA MET A 39 5.059 15.708 -5.099 1.00 0.00 C ATOM 571 C MET A 39 6.028 16.458 -4.191 1.00 0.00 C ATOM 572 O MET A 39 6.017 17.688 -4.137 1.00 0.00 O ATOM 573 CB MET A 39 3.722 15.508 -4.383 1.00 0.00 C ATOM 574 CG MET A 39 2.526 15.502 -5.320 1.00 0.00 C ATOM 575 SD MET A 39 0.991 15.956 -4.491 1.00 0.00 S ATOM 576 CE MET A 39 0.670 14.475 -3.537 1.00 0.00 C ATOM 0 H MET A 39 5.251 13.623 -4.982 1.00 0.00 H new ATOM 0 HA MET A 39 4.896 16.303 -5.998 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.749 14.565 -3.836 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.592 16.300 -3.646 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.709 16.195 -6.141 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.418 14.510 -5.758 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.231 14.615 -2.940 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.531 13.630 -4.212 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.515 14.277 -2.877 1.00 0.00 H new ATOM 586 N TYR A 40 6.865 15.711 -3.479 1.00 0.00 N ATOM 587 CA TYR A 40 7.838 16.306 -2.571 1.00 0.00 C ATOM 588 C TYR A 40 9.222 15.700 -2.784 1.00 0.00 C ATOM 589 O TYR A 40 9.745 14.970 -1.941 1.00 0.00 O ATOM 590 CB TYR A 40 7.400 16.108 -1.119 1.00 0.00 C ATOM 591 CG TYR A 40 6.098 16.798 -0.780 1.00 0.00 C ATOM 592 CD1 TYR A 40 4.884 16.294 -1.231 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.082 17.954 -0.010 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.692 16.922 -0.924 1.00 0.00 C ATOM 595 CE2 TYR A 40 4.895 18.588 0.302 1.00 0.00 C ATOM 596 CZ TYR A 40 3.703 18.068 -0.157 1.00 0.00 C ATOM 597 OH TYR A 40 2.518 18.697 0.151 1.00 0.00 O ATOM 0 H TYR A 40 6.889 14.692 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 40 7.891 17.374 -2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.298 15.041 -0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.182 16.481 -0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.872 15.396 -1.832 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.014 18.364 0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.757 16.518 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.900 19.486 0.902 1.00 0.00 H new ATOM 0 HH TYR A 40 2.701 19.489 0.699 1.00 0.00 H new ATOM 607 N PRO A 41 9.832 16.010 -3.937 1.00 0.00 N ATOM 608 CA PRO A 41 11.164 15.509 -4.289 1.00 0.00 C ATOM 609 C PRO A 41 12.261 16.127 -3.429 1.00 0.00 C ATOM 610 O PRO A 41 13.221 15.455 -3.053 1.00 0.00 O ATOM 611 CB PRO A 41 11.328 15.931 -5.751 1.00 0.00 C ATOM 612 CG PRO A 41 10.435 17.113 -5.906 1.00 0.00 C ATOM 613 CD PRO A 41 9.268 16.874 -4.988 1.00 0.00 C ATOM 0 HA PRO A 41 11.250 14.434 -4.130 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.364 16.185 -5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.042 15.127 -6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.957 18.033 -5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.104 17.219 -6.939 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.882 17.807 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.441 16.388 -5.507 1.00 0.00 H new ATOM 621 N GLY A 42 12.112 17.412 -3.122 1.00 0.00 N ATOM 622 CA GLY A 42 13.098 18.099 -2.308 1.00 0.00 C ATOM 623 C GLY A 42 13.197 17.525 -0.909 1.00 0.00 C ATOM 624 O GLY A 42 14.223 17.665 -0.243 1.00 0.00 O ATOM 0 H GLY A 42 11.327 17.989 -3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.072 18.036 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.840 19.156 -2.246 1.00 0.00 H new ATOM 628 N LYS A 43 12.127 16.878 -0.460 1.00 0.00 N ATOM 629 CA LYS A 43 12.096 16.280 0.870 1.00 0.00 C ATOM 630 C LYS A 43 12.701 14.880 0.852 1.00 0.00 C ATOM 631 O LYS A 43 12.827 14.262 -0.205 1.00 0.00 O ATOM 632 CB LYS A 43 10.658 16.220 1.391 1.00 0.00 C ATOM 633 CG LYS A 43 10.109 17.570 1.817 1.00 0.00 C ATOM 634 CD LYS A 43 8.760 17.431 2.503 1.00 0.00 C ATOM 635 CE LYS A 43 8.182 18.788 2.876 1.00 0.00 C ATOM 636 NZ LYS A 43 8.756 19.304 4.150 1.00 0.00 N ATOM 0 H LYS A 43 11.269 16.754 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 43 12.691 16.905 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.016 15.805 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.616 15.536 2.239 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.814 18.054 2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.010 18.216 0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.067 16.908 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.868 16.821 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.379 19.500 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.099 18.708 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.337 20.230 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.546 18.638 4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.786 19.405 4.051 1.00 0.00 H new ATOM 650 N ASP A 44 13.072 14.385 2.028 1.00 0.00 N ATOM 651 CA ASP A 44 13.661 13.057 2.147 1.00 0.00 C ATOM 652 C ASP A 44 12.583 12.004 2.388 1.00 0.00 C ATOM 653 O ASP A 44 11.468 12.326 2.795 1.00 0.00 O ATOM 654 CB ASP A 44 14.682 13.028 3.285 1.00 0.00 C ATOM 655 CG ASP A 44 16.051 13.511 2.847 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.275 14.739 2.846 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.898 12.660 2.505 1.00 0.00 O ATOM 0 H ASP A 44 12.975 14.884 2.912 1.00 0.00 H new ATOM 0 HA ASP A 44 14.167 12.826 1.210 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.325 13.651 4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.764 12.011 3.669 1.00 0.00 H new ATOM 662 N ASN A 45 12.924 10.746 2.131 1.00 0.00 N ATOM 663 CA ASN A 45 11.985 9.645 2.318 1.00 0.00 C ATOM 664 C ASN A 45 11.376 9.682 3.717 1.00 0.00 C ATOM 665 O ASN A 45 10.172 9.489 3.885 1.00 0.00 O ATOM 666 CB ASN A 45 12.686 8.305 2.090 1.00 0.00 C ATOM 667 CG ASN A 45 13.558 8.312 0.850 1.00 0.00 C ATOM 668 OD1 ASN A 45 14.716 7.895 0.889 1.00 0.00 O ATOM 669 ND2 ASN A 45 13.005 8.788 -0.260 1.00 0.00 N ATOM 0 H ASN A 45 13.844 10.463 1.793 1.00 0.00 H new ATOM 0 HA ASN A 45 11.183 9.756 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.298 8.066 2.960 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.938 7.517 2.000 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.544 8.818 -1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.042 9.123 -0.247 1.00 0.00 H new ATOM 676 N ARG A 46 12.216 9.932 4.715 1.00 0.00 N ATOM 677 CA ARG A 46 11.761 9.994 6.099 1.00 0.00 C ATOM 678 C ARG A 46 10.629 11.005 6.255 1.00 0.00 C ATOM 679 O ARG A 46 9.633 10.738 6.925 1.00 0.00 O ATOM 680 CB ARG A 46 12.922 10.365 7.024 1.00 0.00 C ATOM 681 CG ARG A 46 12.552 10.358 8.498 1.00 0.00 C ATOM 682 CD ARG A 46 12.280 8.947 8.997 1.00 0.00 C ATOM 683 NE ARG A 46 12.240 8.881 10.456 1.00 0.00 N ATOM 684 CZ ARG A 46 11.946 7.777 11.133 1.00 0.00 C ATOM 685 NH1 ARG A 46 11.668 6.653 10.487 1.00 0.00 N ATOM 686 NH2 ARG A 46 11.930 7.795 12.460 1.00 0.00 N ATOM 0 H ARG A 46 13.215 10.095 4.592 1.00 0.00 H new ATOM 0 HA ARG A 46 11.385 9.009 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.743 9.667 6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.288 11.356 6.755 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.360 10.801 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.669 10.978 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.331 8.596 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.054 8.275 8.625 1.00 0.00 H new ATOM 0 HE ARG A 46 12.449 9.729 10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.680 6.635 9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.443 5.807 11.010 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.144 8.657 12.961 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.704 6.946 12.979 1.00 0.00 H new ATOM 700 N ALA A 47 10.791 12.168 5.631 1.00 0.00 N ATOM 701 CA ALA A 47 9.783 13.218 5.699 1.00 0.00 C ATOM 702 C ALA A 47 8.464 12.753 5.091 1.00 0.00 C ATOM 703 O ALA A 47 7.392 13.011 5.639 1.00 0.00 O ATOM 704 CB ALA A 47 10.279 14.472 4.993 1.00 0.00 C ATOM 0 H ALA A 47 11.611 12.406 5.073 1.00 0.00 H new ATOM 0 HA ALA A 47 9.607 13.451 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.516 15.248 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.192 14.823 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.485 14.244 3.947 1.00 0.00 H new ATOM 710 N ILE A 48 8.550 12.068 3.956 1.00 0.00 N ATOM 711 CA ILE A 48 7.363 11.567 3.275 1.00 0.00 C ATOM 712 C ILE A 48 6.553 10.650 4.184 1.00 0.00 C ATOM 713 O ILE A 48 5.332 10.775 4.282 1.00 0.00 O ATOM 714 CB ILE A 48 7.731 10.802 1.990 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.592 11.679 1.077 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.474 10.348 1.264 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.873 12.908 0.567 1.00 0.00 C ATOM 0 H ILE A 48 9.429 11.847 3.489 1.00 0.00 H new ATOM 0 HA ILE A 48 6.761 12.437 3.011 1.00 0.00 H new ATOM 0 HB ILE A 48 8.307 9.918 2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.484 11.989 1.621 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.927 11.085 0.227 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.752 9.809 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.895 9.692 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.873 11.218 0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.543 13.482 -0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.996 12.605 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.561 13.524 1.411 1.00 0.00 H new ATOM 729 N SER A 49 7.241 9.728 4.850 1.00 0.00 N ATOM 730 CA SER A 49 6.586 8.787 5.751 1.00 0.00 C ATOM 731 C SER A 49 5.871 9.524 6.880 1.00 0.00 C ATOM 732 O SER A 49 4.743 9.187 7.239 1.00 0.00 O ATOM 733 CB SER A 49 7.609 7.809 6.333 1.00 0.00 C ATOM 734 OG SER A 49 8.339 7.163 5.305 1.00 0.00 O ATOM 0 H SER A 49 8.252 9.613 4.782 1.00 0.00 H new ATOM 0 HA SER A 49 5.845 8.229 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.295 8.344 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.098 7.064 6.944 1.00 0.00 H new ATOM 0 HG SER A 49 8.987 6.545 5.703 1.00 0.00 H new ATOM 740 N VAL A 50 6.536 10.532 7.435 1.00 0.00 N ATOM 741 CA VAL A 50 5.965 11.319 8.522 1.00 0.00 C ATOM 742 C VAL A 50 4.733 12.086 8.056 1.00 0.00 C ATOM 743 O VAL A 50 3.657 11.966 8.642 1.00 0.00 O ATOM 744 CB VAL A 50 6.992 12.315 9.093 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.373 13.135 10.215 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.232 11.581 9.580 1.00 0.00 C ATOM 0 H VAL A 50 7.471 10.823 7.150 1.00 0.00 H new ATOM 0 HA VAL A 50 5.677 10.617 9.305 1.00 0.00 H new ATOM 0 HB VAL A 50 7.291 12.998 8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.113 13.833 10.606 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.518 13.691 9.830 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.044 12.470 11.013 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.947 12.300 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.953 10.874 10.361 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.686 11.042 8.748 1.00 0.00 H new ATOM 756 N ILE A 51 4.898 12.874 6.999 1.00 0.00 N ATOM 757 CA ILE A 51 3.799 13.660 6.453 1.00 0.00 C ATOM 758 C ILE A 51 2.613 12.772 6.094 1.00 0.00 C ATOM 759 O ILE A 51 1.463 13.213 6.114 1.00 0.00 O ATOM 760 CB ILE A 51 4.235 14.446 5.202 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.406 15.371 5.537 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.065 15.243 4.644 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.169 15.845 4.320 1.00 0.00 C ATOM 0 H ILE A 51 5.783 12.985 6.504 1.00 0.00 H new ATOM 0 HA ILE A 51 3.500 14.365 7.229 1.00 0.00 H new ATOM 0 HB ILE A 51 4.563 13.738 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.030 16.238 6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.091 14.849 6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.388 15.793 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.258 14.563 4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.710 15.945 5.399 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.985 16.497 4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.575 14.985 3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.497 16.395 3.661 1.00 0.00 H new ATOM 775 N LEU A 52 2.899 11.516 5.767 1.00 0.00 N ATOM 776 CA LEU A 52 1.856 10.563 5.405 1.00 0.00 C ATOM 777 C LEU A 52 0.983 10.227 6.610 1.00 0.00 C ATOM 778 O LEU A 52 -0.244 10.234 6.523 1.00 0.00 O ATOM 779 CB LEU A 52 2.478 9.285 4.840 1.00 0.00 C ATOM 780 CG LEU A 52 2.788 9.295 3.343 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.484 8.006 2.933 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.514 9.495 2.536 1.00 0.00 C ATOM 0 H LEU A 52 3.845 11.134 5.745 1.00 0.00 H new ATOM 0 HA LEU A 52 1.228 11.023 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.403 9.085 5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.803 8.454 5.045 1.00 0.00 H new ATOM 0 HG LEU A 52 3.460 10.128 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.697 8.031 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.418 7.905 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.837 7.157 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.754 9.499 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.818 8.683 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.056 10.446 2.809 1.00 0.00 H new ATOM 794 N GLY A 53 1.626 9.934 7.737 1.00 0.00 N ATOM 795 CA GLY A 53 0.893 9.602 8.944 1.00 0.00 C ATOM 796 C GLY A 53 -0.139 10.652 9.304 1.00 0.00 C ATOM 797 O GLY A 53 -1.299 10.331 9.563 1.00 0.00 O ATOM 0 H GLY A 53 2.641 9.921 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.397 8.640 8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.594 9.488 9.771 1.00 0.00 H new ATOM 801 N ASP A 54 0.284 11.912 9.323 1.00 0.00 N ATOM 802 CA ASP A 54 -0.612 13.014 9.655 1.00 0.00 C ATOM 803 C ASP A 54 -1.875 12.963 8.801 1.00 0.00 C ATOM 804 O ASP A 54 -2.984 13.147 9.304 1.00 0.00 O ATOM 805 CB ASP A 54 0.099 14.354 9.457 1.00 0.00 C ATOM 806 CG ASP A 54 -0.444 15.437 10.369 1.00 0.00 C ATOM 807 OD1 ASP A 54 -0.164 15.384 11.585 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.147 16.338 9.866 1.00 0.00 O ATOM 0 H ASP A 54 1.241 12.195 9.113 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.899 12.915 10.702 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.166 14.227 9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.008 14.669 8.419 1.00 0.00 H new ATOM 813 N ARG A 55 -1.699 12.714 7.508 1.00 0.00 N ATOM 814 CA ARG A 55 -2.825 12.642 6.584 1.00 0.00 C ATOM 815 C ARG A 55 -3.794 11.536 6.993 1.00 0.00 C ATOM 816 O ARG A 55 -5.006 11.663 6.818 1.00 0.00 O ATOM 817 CB ARG A 55 -2.327 12.397 5.158 1.00 0.00 C ATOM 818 CG ARG A 55 -1.765 13.640 4.488 1.00 0.00 C ATOM 819 CD ARG A 55 -2.767 14.253 3.522 1.00 0.00 C ATOM 820 NE ARG A 55 -2.510 15.673 3.294 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.364 16.486 2.683 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.525 16.023 2.242 1.00 0.00 N ATOM 823 NH2 ARG A 55 -3.058 17.766 2.513 1.00 0.00 N ATOM 0 H ARG A 55 -0.788 12.559 7.076 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.353 13.595 6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.557 11.626 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.149 12.010 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.495 14.373 5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.851 13.384 3.952 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.727 13.720 2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.775 14.126 3.916 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.626 16.061 3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.764 15.040 2.372 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.179 16.650 1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.166 18.126 2.852 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.715 18.389 2.044 1.00 0.00 H new ATOM 837 N TRP A 56 -3.251 10.453 7.536 1.00 0.00 N ATOM 838 CA TRP A 56 -4.067 9.324 7.969 1.00 0.00 C ATOM 839 C TRP A 56 -4.895 9.690 9.197 1.00 0.00 C ATOM 840 O TRP A 56 -5.948 9.103 9.446 1.00 0.00 O ATOM 841 CB TRP A 56 -3.182 8.116 8.277 1.00 0.00 C ATOM 842 CG TRP A 56 -3.937 6.958 8.855 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.160 6.702 10.178 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.567 5.898 8.128 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.890 5.546 10.317 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.154 5.034 9.074 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.695 5.595 6.769 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.855 3.890 8.703 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.391 4.458 6.403 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.965 3.618 7.366 1.00 0.00 C ATOM 0 H TRP A 56 -2.250 10.332 7.687 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.748 9.068 7.157 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.685 7.796 7.361 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.401 8.416 8.975 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.814 7.318 10.995 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.187 5.136 11.202 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.258 6.238 6.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.296 3.240 9.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.494 4.213 5.356 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.505 2.739 7.047 1.00 0.00 H new ATOM 861 N LYS A 57 -4.412 10.663 9.962 1.00 0.00 N ATOM 862 CA LYS A 57 -5.107 11.109 11.163 1.00 0.00 C ATOM 863 C LYS A 57 -6.127 12.193 10.831 1.00 0.00 C ATOM 864 O LYS A 57 -7.144 12.333 11.511 1.00 0.00 O ATOM 865 CB LYS A 57 -4.104 11.636 12.192 1.00 0.00 C ATOM 866 CG LYS A 57 -3.013 10.640 12.543 1.00 0.00 C ATOM 867 CD LYS A 57 -1.828 11.321 13.207 1.00 0.00 C ATOM 868 CE LYS A 57 -0.521 10.622 12.868 1.00 0.00 C ATOM 869 NZ LYS A 57 0.505 10.819 13.929 1.00 0.00 N ATOM 0 H LYS A 57 -3.541 11.158 9.771 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.636 10.254 11.585 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.644 12.545 11.806 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.639 11.911 13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.416 9.878 13.210 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.681 10.130 11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.779 12.362 12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.969 11.327 14.288 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.704 9.556 12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.141 11.003 11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.381 10.327 13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.698 11.835 14.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.153 10.433 14.828 1.00 0.00 H new ATOM 883 N LYS A 58 -5.850 12.958 9.780 1.00 0.00 N ATOM 884 CA LYS A 58 -6.744 14.029 9.355 1.00 0.00 C ATOM 885 C LYS A 58 -7.902 13.475 8.530 1.00 0.00 C ATOM 886 O LYS A 58 -8.989 14.051 8.504 1.00 0.00 O ATOM 887 CB LYS A 58 -5.975 15.070 8.539 1.00 0.00 C ATOM 888 CG LYS A 58 -5.806 16.399 9.255 1.00 0.00 C ATOM 889 CD LYS A 58 -4.342 16.708 9.521 1.00 0.00 C ATOM 890 CE LYS A 58 -4.184 17.809 10.558 1.00 0.00 C ATOM 891 NZ LYS A 58 -3.312 17.385 11.688 1.00 0.00 N ATOM 0 H LYS A 58 -5.013 12.856 9.207 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.151 14.505 10.247 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.991 14.672 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.496 15.238 7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.243 17.196 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.351 16.377 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.836 15.806 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.858 17.010 8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.761 18.695 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.165 18.090 10.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.049 18.216 12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.825 16.706 12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.452 16.936 11.313 1.00 0.00 H new ATOM 905 N MET A 59 -7.660 12.354 7.858 1.00 0.00 N ATOM 906 CA MET A 59 -8.684 11.722 7.034 1.00 0.00 C ATOM 907 C MET A 59 -9.896 11.334 7.875 1.00 0.00 C ATOM 908 O MET A 59 -9.872 11.438 9.102 1.00 0.00 O ATOM 909 CB MET A 59 -8.116 10.484 6.337 1.00 0.00 C ATOM 910 CG MET A 59 -7.571 10.767 4.946 1.00 0.00 C ATOM 911 SD MET A 59 -7.263 9.262 4.002 1.00 0.00 S ATOM 912 CE MET A 59 -6.233 8.349 5.147 1.00 0.00 C ATOM 0 H MET A 59 -6.765 11.865 7.868 1.00 0.00 H new ATOM 0 HA MET A 59 -9.002 12.441 6.280 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.320 10.064 6.952 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.897 9.727 6.265 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.279 11.393 4.403 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.644 11.334 5.031 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.017 7.363 4.736 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.299 8.888 5.306 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.755 8.239 6.098 1.00 0.00 H new ATOM 922 N LYS A 60 -10.955 10.887 7.209 1.00 0.00 N ATOM 923 CA LYS A 60 -12.176 10.482 7.894 1.00 0.00 C ATOM 924 C LYS A 60 -12.236 8.966 8.050 1.00 0.00 C ATOM 925 O LYS A 60 -11.345 8.250 7.595 1.00 0.00 O ATOM 926 CB LYS A 60 -13.404 10.975 7.126 1.00 0.00 C ATOM 927 CG LYS A 60 -13.416 12.477 6.897 1.00 0.00 C ATOM 928 CD LYS A 60 -14.214 13.198 7.971 1.00 0.00 C ATOM 929 CE LYS A 60 -14.476 14.647 7.591 1.00 0.00 C ATOM 930 NZ LYS A 60 -15.233 15.370 8.651 1.00 0.00 N ATOM 0 H LYS A 60 -10.992 10.796 6.194 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.171 10.932 8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.446 10.469 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.303 10.692 7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.393 12.853 6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -13.843 12.693 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.163 12.684 8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.672 13.161 8.916 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.527 15.153 7.413 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.036 14.682 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.392 16.354 8.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.149 14.902 8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.687 15.359 9.536 1.00 0.00 H new ATOM 944 N ASN A 61 -13.293 8.483 8.695 1.00 0.00 N ATOM 945 CA ASN A 61 -13.469 7.051 8.910 1.00 0.00 C ATOM 946 C ASN A 61 -13.519 6.304 7.580 1.00 0.00 C ATOM 947 O ASN A 61 -12.725 5.396 7.338 1.00 0.00 O ATOM 948 CB ASN A 61 -14.750 6.787 9.704 1.00 0.00 C ATOM 949 CG ASN A 61 -14.682 7.345 11.113 1.00 0.00 C ATOM 950 OD1 ASN A 61 -15.230 8.410 11.398 1.00 0.00 O ATOM 951 ND2 ASN A 61 -14.005 6.626 12.002 1.00 0.00 N ATOM 0 H ASN A 61 -14.040 9.062 9.078 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.614 6.686 9.480 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.597 7.231 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.931 5.713 9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.924 6.951 12.965 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.567 5.749 11.721 1.00 0.00 H new ATOM 958 N GLU A 62 -14.457 6.694 6.723 1.00 0.00 N ATOM 959 CA GLU A 62 -14.610 6.061 5.419 1.00 0.00 C ATOM 960 C GLU A 62 -13.341 6.216 4.586 1.00 0.00 C ATOM 961 O GLU A 62 -12.942 5.300 3.868 1.00 0.00 O ATOM 962 CB GLU A 62 -15.801 6.664 4.670 1.00 0.00 C ATOM 963 CG GLU A 62 -15.954 6.145 3.251 1.00 0.00 C ATOM 964 CD GLU A 62 -17.379 6.248 2.742 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.304 5.855 3.484 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.569 6.721 1.602 1.00 0.00 O ATOM 0 H GLU A 62 -15.122 7.445 6.908 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.791 4.998 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.714 6.452 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.690 7.748 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.295 6.707 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.633 5.104 3.212 1.00 0.00 H new ATOM 973 N GLU A 63 -12.711 7.382 4.689 1.00 0.00 N ATOM 974 CA GLU A 63 -11.488 7.658 3.945 1.00 0.00 C ATOM 975 C GLU A 63 -10.419 6.613 4.250 1.00 0.00 C ATOM 976 O GLU A 63 -9.522 6.373 3.442 1.00 0.00 O ATOM 977 CB GLU A 63 -10.963 9.055 4.282 1.00 0.00 C ATOM 978 CG GLU A 63 -11.938 10.169 3.944 1.00 0.00 C ATOM 979 CD GLU A 63 -12.043 10.421 2.453 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.288 9.782 1.690 1.00 0.00 O ATOM 981 OE2 GLU A 63 -12.879 11.255 2.048 1.00 0.00 O ATOM 0 H GLU A 63 -13.027 8.150 5.280 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.722 7.614 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.729 9.099 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.031 9.223 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.923 9.916 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.623 11.086 4.442 1.00 0.00 H new ATOM 988 N ARG A 64 -10.521 5.995 5.423 1.00 0.00 N ATOM 989 CA ARG A 64 -9.562 4.978 5.836 1.00 0.00 C ATOM 990 C ARG A 64 -10.157 3.580 5.694 1.00 0.00 C ATOM 991 O ARG A 64 -9.431 2.599 5.528 1.00 0.00 O ATOM 992 CB ARG A 64 -9.128 5.214 7.284 1.00 0.00 C ATOM 993 CG ARG A 64 -8.481 6.570 7.513 1.00 0.00 C ATOM 994 CD ARG A 64 -8.342 6.878 8.995 1.00 0.00 C ATOM 995 NE ARG A 64 -9.373 7.802 9.460 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.621 8.042 10.743 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.915 7.428 11.684 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.575 8.896 11.088 1.00 0.00 N ATOM 0 H ARG A 64 -11.258 6.181 6.103 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.690 5.051 5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.998 5.121 7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.427 4.432 7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.498 6.589 7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.079 7.345 7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.402 5.951 9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.358 7.307 9.186 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.934 8.290 8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.180 6.770 11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.107 7.614 12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.120 9.370 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.764 9.079 12.074 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.482 3.497 5.760 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.174 2.220 5.641 1.00 0.00 C ATOM 1014 C ARG A 65 -11.721 1.470 4.391 1.00 0.00 C ATOM 1015 O ARG A 65 -11.556 0.251 4.412 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.688 2.438 5.596 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.492 1.215 6.008 1.00 0.00 C ATOM 1018 CD ARG A 65 -15.975 1.406 5.735 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.783 0.345 6.331 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.107 0.288 6.236 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.768 1.225 5.571 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.771 -0.710 6.805 1.00 0.00 N ATOM 0 H ARG A 65 -12.097 4.299 5.895 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.926 1.618 6.515 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.946 3.270 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.975 2.727 4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.131 0.341 5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.339 1.018 7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.295 2.370 6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.145 1.430 4.659 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.305 -0.392 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.260 1.992 5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.784 1.179 5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.265 -1.434 7.316 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.787 -0.753 6.732 1.00 0.00 H new ATOM 1036 N MET A 66 -11.522 2.209 3.304 1.00 0.00 N ATOM 1037 CA MET A 66 -11.087 1.614 2.046 1.00 0.00 C ATOM 1038 C MET A 66 -9.854 0.740 2.255 1.00 0.00 C ATOM 1039 O MET A 66 -9.684 -0.279 1.586 1.00 0.00 O ATOM 1040 CB MET A 66 -10.784 2.707 1.019 1.00 0.00 C ATOM 1041 CG MET A 66 -9.782 3.741 1.508 1.00 0.00 C ATOM 1042 SD MET A 66 -9.848 5.274 0.563 1.00 0.00 S ATOM 1043 CE MET A 66 -11.524 5.809 0.901 1.00 0.00 C ATOM 0 H MET A 66 -11.655 3.220 3.269 1.00 0.00 H new ATOM 0 HA MET A 66 -11.895 0.986 1.671 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.401 2.244 0.110 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.713 3.211 0.753 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.974 3.958 2.559 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.777 3.324 1.447 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.599 6.886 0.751 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.212 5.300 0.226 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.782 5.567 1.932 1.00 0.00 H new ATOM 1053 N TYR A 67 -8.998 1.146 3.186 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.780 0.401 3.480 1.00 0.00 C ATOM 1055 C TYR A 67 -7.988 -0.536 4.666 1.00 0.00 C ATOM 1056 O TYR A 67 -7.351 -1.586 4.763 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.627 1.363 3.772 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.565 2.539 2.825 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.092 2.387 1.527 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -6.978 3.803 3.227 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.033 3.459 0.658 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.924 4.880 2.364 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.451 4.703 1.080 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.394 5.774 0.218 1.00 0.00 O ATOM 0 H TYR A 67 -9.125 1.987 3.750 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.531 -0.199 2.605 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.724 1.734 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.686 0.815 3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.765 1.414 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.348 3.946 4.232 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.661 3.323 -0.347 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.250 5.856 2.693 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.303 6.060 -0.009 1.00 0.00 H new ATOM 1074 N THR A 68 -8.885 -0.150 5.567 1.00 0.00 N ATOM 1075 CA THR A 68 -9.178 -0.953 6.747 1.00 0.00 C ATOM 1076 C THR A 68 -9.712 -2.327 6.358 1.00 0.00 C ATOM 1077 O THR A 68 -9.081 -3.349 6.630 1.00 0.00 O ATOM 1078 CB THR A 68 -10.204 -0.256 7.661 1.00 0.00 C ATOM 1079 OG1 THR A 68 -9.751 1.062 7.990 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.423 -1.055 8.937 1.00 0.00 C ATOM 0 H THR A 68 -9.422 0.715 5.502 1.00 0.00 H new ATOM 0 HA THR A 68 -8.240 -1.071 7.290 1.00 0.00 H new ATOM 0 HB THR A 68 -11.151 -0.191 7.124 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.624 1.579 7.167 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.151 -0.543 9.566 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.795 -2.048 8.685 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.480 -1.147 9.475 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.878 -2.345 5.721 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.497 -3.594 5.293 1.00 0.00 C ATOM 1090 C LEU A 69 -10.627 -4.309 4.264 1.00 0.00 C ATOM 1091 O LEU A 69 -10.430 -5.521 4.340 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.884 -3.324 4.707 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.031 -3.226 5.713 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -13.742 -2.151 6.749 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -15.344 -2.942 4.998 1.00 0.00 C ATOM 0 H LEU A 69 -11.414 -1.508 5.490 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.598 -4.239 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.843 -2.393 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.117 -4.118 3.997 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.120 -4.182 6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.569 -2.096 7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.824 -2.397 7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.625 -1.188 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.150 -2.875 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.267 -1.999 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.557 -3.748 4.295 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.108 -3.548 3.305 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.258 -4.110 2.262 1.00 0.00 C ATOM 1109 C GLU A 70 -8.123 -4.930 2.868 1.00 0.00 C ATOM 1110 O GLU A 70 -7.947 -6.103 2.541 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.684 -2.995 1.386 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.744 -3.495 0.302 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.406 -4.490 -0.631 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -8.665 -5.631 -0.194 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.665 -4.129 -1.798 1.00 0.00 O ATOM 0 H GLU A 70 -10.261 -2.542 3.229 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.870 -4.769 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.506 -2.451 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.151 -2.286 2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.379 -2.647 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.875 -3.961 0.767 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.355 -4.303 3.753 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.238 -4.974 4.407 1.00 0.00 C ATOM 1124 C ALA A 71 -6.729 -6.082 5.333 1.00 0.00 C ATOM 1125 O ALA A 71 -6.034 -7.074 5.553 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.399 -3.969 5.181 1.00 0.00 C ATOM 0 H ALA A 71 -7.486 -3.331 4.034 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.618 -5.430 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.569 -4.484 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.010 -3.216 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.017 -3.486 5.938 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.930 -5.906 5.874 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.515 -6.890 6.776 1.00 0.00 C ATOM 1134 C LYS A 72 -8.816 -8.192 6.040 1.00 0.00 C ATOM 1135 O LYS A 72 -8.350 -9.261 6.433 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.796 -6.338 7.405 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.567 -7.366 8.216 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.456 -6.703 9.255 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.716 -7.516 9.511 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.524 -8.505 10.608 1.00 0.00 N ATOM 0 H LYS A 72 -8.517 -5.090 5.703 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.792 -7.098 7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.541 -5.496 8.049 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.441 -5.952 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.177 -7.974 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.867 -8.040 8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.903 -6.585 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.729 -5.703 8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.536 -6.845 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.004 -8.037 8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.405 -9.039 10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.759 -9.162 10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.274 -8.006 11.486 1.00 0.00 H new