USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 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 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= 0 (180deg=-7.02e-05) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 30:sc= -0.489 USER MOD Single : A 37 THR OG1 : rot 28:sc= 0.183 USER MOD Single : A 38 GLN : amide:sc= -0.0679 K(o=-0.068,f=-1.2!) USER MOD Single : A 39 MET CE :methyl -179:sc= 0 (180deg=-0.00443) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 0.587 (180deg=0.118) USER MOD Single : A 45 ASN : amide:sc= -0.0242 K(o=-0.024,f=-0.69) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= -0.083 (180deg=-0.867) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0223 (180deg=-0.222) USER MOD Single : A 59 MET CE :methyl 179:sc= -2.33! (180deg=-2.38!) USER MOD Single : A 60 LYS NZ :NH3+ 168:sc=-0.00486 (180deg=-0.131) USER MOD Single : A 61 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 66 MET CE :methyl 145:sc= -0.587 (180deg=-4.41!) USER MOD Single : A 67 TYR OH : rot 110:sc= 0.0487 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.040 -3.916 7.219 1.00 0.00 N ATOM 288 CA ASN A 23 -2.097 -3.272 7.990 1.00 0.00 C ATOM 289 C ASN A 23 -2.845 -2.250 7.140 1.00 0.00 C ATOM 290 O ASN A 23 -2.577 -2.104 5.948 1.00 0.00 O ATOM 291 CB ASN A 23 -1.511 -2.590 9.228 1.00 0.00 C ATOM 292 CG ASN A 23 -0.604 -3.512 10.021 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.993 -4.622 10.383 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.612 -3.054 10.294 1.00 0.00 N ATOM 0 HA ASN A 23 -2.802 -4.041 8.306 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.949 -1.707 8.922 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.323 -2.245 9.868 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.267 -3.629 10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.892 -2.127 9.974 1.00 0.00 H new ATOM 301 N ALA A 24 -3.784 -1.545 7.762 1.00 0.00 N ATOM 302 CA ALA A 24 -4.569 -0.535 7.063 1.00 0.00 C ATOM 303 C ALA A 24 -3.698 0.643 6.641 1.00 0.00 C ATOM 304 O ALA A 24 -3.637 0.992 5.462 1.00 0.00 O ATOM 305 CB ALA A 24 -5.716 -0.057 7.942 1.00 0.00 C ATOM 0 H ALA A 24 -4.020 -1.655 8.748 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.980 -0.990 6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.294 0.697 7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.361 -0.900 8.189 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.316 0.375 8.859 1.00 0.00 H new ATOM 311 N PHE A 25 -3.025 1.253 7.611 1.00 0.00 N ATOM 312 CA PHE A 25 -2.158 2.394 7.340 1.00 0.00 C ATOM 313 C PHE A 25 -1.158 2.066 6.235 1.00 0.00 C ATOM 314 O PHE A 25 -0.882 2.894 5.368 1.00 0.00 O ATOM 315 CB PHE A 25 -1.413 2.809 8.611 1.00 0.00 C ATOM 316 CG PHE A 25 -0.398 3.892 8.384 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.798 5.196 8.143 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.958 3.606 8.412 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.134 6.194 7.933 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.895 4.600 8.204 1.00 0.00 C ATOM 321 CZ PHE A 25 1.483 5.896 7.964 1.00 0.00 C ATOM 0 H PHE A 25 -3.063 0.976 8.592 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.783 3.223 7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.136 3.150 9.352 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.913 1.936 9.031 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.851 5.435 8.119 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.286 2.594 8.599 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.192 7.206 7.745 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.949 4.364 8.229 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.213 6.675 7.801 1.00 0.00 H new ATOM 331 N MET A 26 -0.619 0.852 6.275 1.00 0.00 N ATOM 332 CA MET A 26 0.350 0.414 5.277 1.00 0.00 C ATOM 333 C MET A 26 -0.183 0.639 3.866 1.00 0.00 C ATOM 334 O MET A 26 0.542 1.102 2.983 1.00 0.00 O ATOM 335 CB MET A 26 0.688 -1.065 5.477 1.00 0.00 C ATOM 336 CG MET A 26 1.608 -1.323 6.659 1.00 0.00 C ATOM 337 SD MET A 26 3.154 -2.116 6.175 1.00 0.00 S ATOM 338 CE MET A 26 3.891 -2.427 7.777 1.00 0.00 C ATOM 0 H MET A 26 -0.836 0.155 6.987 1.00 0.00 H new ATOM 0 HA MET A 26 1.256 1.007 5.403 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.237 -1.625 5.618 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.158 -1.448 4.571 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.829 -0.378 7.156 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.093 -1.952 7.385 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.856 -2.916 7.645 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.032 -1.482 8.302 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.234 -3.072 8.360 1.00 0.00 H new ATOM 348 N LEU A 27 -1.453 0.310 3.658 1.00 0.00 N ATOM 349 CA LEU A 27 -2.084 0.476 2.354 1.00 0.00 C ATOM 350 C LEU A 27 -2.133 1.948 1.956 1.00 0.00 C ATOM 351 O LEU A 27 -2.041 2.287 0.776 1.00 0.00 O ATOM 352 CB LEU A 27 -3.498 -0.107 2.371 1.00 0.00 C ATOM 353 CG LEU A 27 -3.943 -0.825 1.096 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.017 -1.991 0.789 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.382 -1.304 1.229 1.00 0.00 C ATOM 0 H LEU A 27 -2.067 -0.074 4.377 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.486 -0.061 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.571 -0.808 3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.201 0.702 2.573 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.891 -0.119 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.349 -2.490 -0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.001 -1.622 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.036 -2.699 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.682 -1.813 0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.460 -1.994 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.036 -0.449 1.400 1.00 0.00 H new ATOM 367 N PHE A 28 -2.277 2.819 2.949 1.00 0.00 N ATOM 368 CA PHE A 28 -2.337 4.255 2.704 1.00 0.00 C ATOM 369 C PHE A 28 -0.968 4.796 2.301 1.00 0.00 C ATOM 370 O PHE A 28 -0.793 5.315 1.199 1.00 0.00 O ATOM 371 CB PHE A 28 -2.841 4.987 3.950 1.00 0.00 C ATOM 372 CG PHE A 28 -2.668 6.477 3.881 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.502 7.074 4.334 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.670 7.281 3.363 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.341 8.446 4.272 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.515 8.653 3.299 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.348 9.236 3.753 1.00 0.00 C ATOM 0 H PHE A 28 -2.354 2.555 3.931 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.033 4.429 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.897 4.758 4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.311 4.608 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.711 6.461 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.584 6.830 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.428 8.900 4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.305 9.268 2.895 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.223 10.308 3.702 1.00 0.00 H new ATOM 387 N ALA A 29 -0.001 4.671 3.204 1.00 0.00 N ATOM 388 CA ALA A 29 1.353 5.145 2.944 1.00 0.00 C ATOM 389 C ALA A 29 1.886 4.589 1.628 1.00 0.00 C ATOM 390 O ALA A 29 2.621 5.266 0.908 1.00 0.00 O ATOM 391 CB ALA A 29 2.276 4.764 4.092 1.00 0.00 C ATOM 0 H ALA A 29 -0.130 4.246 4.122 1.00 0.00 H new ATOM 0 HA ALA A 29 1.321 6.232 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.283 5.124 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.913 5.215 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.294 3.680 4.200 1.00 0.00 H new ATOM 397 N LYS A 30 1.512 3.352 1.319 1.00 0.00 N ATOM 398 CA LYS A 30 1.952 2.704 0.089 1.00 0.00 C ATOM 399 C LYS A 30 1.262 3.317 -1.126 1.00 0.00 C ATOM 400 O LYS A 30 1.919 3.820 -2.037 1.00 0.00 O ATOM 401 CB LYS A 30 1.663 1.202 0.148 1.00 0.00 C ATOM 402 CG LYS A 30 2.448 0.391 -0.868 1.00 0.00 C ATOM 403 CD LYS A 30 1.794 -0.955 -1.133 1.00 0.00 C ATOM 404 CE LYS A 30 0.665 -0.837 -2.146 1.00 0.00 C ATOM 405 NZ LYS A 30 1.179 -0.756 -3.541 1.00 0.00 N ATOM 0 H LYS A 30 0.905 2.778 1.904 1.00 0.00 H new ATOM 0 HA LYS A 30 3.027 2.858 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.893 0.835 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.598 1.039 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.523 0.950 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.464 0.238 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.542 -1.658 -1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.405 -1.362 -0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.002 -1.697 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.070 0.050 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.475 -0.284 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.065 -0.212 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.357 -1.715 -3.902 1.00 0.00 H new ATOM 419 N LYS A 31 -0.066 3.274 -1.131 1.00 0.00 N ATOM 420 CA LYS A 31 -0.845 3.827 -2.232 1.00 0.00 C ATOM 421 C LYS A 31 -0.523 5.304 -2.439 1.00 0.00 C ATOM 422 O LYS A 31 -0.676 5.835 -3.539 1.00 0.00 O ATOM 423 CB LYS A 31 -2.342 3.654 -1.962 1.00 0.00 C ATOM 424 CG LYS A 31 -3.210 3.865 -3.191 1.00 0.00 C ATOM 425 CD LYS A 31 -4.666 3.540 -2.906 1.00 0.00 C ATOM 426 CE LYS A 31 -4.895 2.039 -2.813 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.342 1.693 -2.868 1.00 0.00 N ATOM 0 H LYS A 31 -0.625 2.862 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.580 3.285 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.519 2.652 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.647 4.358 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.125 4.899 -3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.849 3.237 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.970 4.014 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.294 3.957 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.371 1.541 -3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.467 1.664 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.455 0.661 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.838 2.147 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.745 2.028 -3.766 1.00 0.00 H new ATOM 441 N TYR A 32 -0.074 5.961 -1.375 1.00 0.00 N ATOM 442 CA TYR A 32 0.270 7.376 -1.440 1.00 0.00 C ATOM 443 C TYR A 32 1.783 7.570 -1.435 1.00 0.00 C ATOM 444 O TYR A 32 2.276 8.693 -1.319 1.00 0.00 O ATOM 445 CB TYR A 32 -0.356 8.129 -0.264 1.00 0.00 C ATOM 446 CG TYR A 32 -1.834 8.398 -0.436 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.736 7.355 -0.598 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.327 9.697 -0.434 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.087 7.597 -0.756 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.677 9.948 -0.589 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.553 8.895 -0.750 1.00 0.00 C ATOM 452 OH TYR A 32 -5.898 9.140 -0.906 1.00 0.00 O ATOM 0 H TYR A 32 0.060 5.536 -0.458 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.126 7.778 -2.373 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.204 7.552 0.648 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.165 9.078 -0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.375 6.337 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.644 10.524 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.775 6.774 -0.884 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.044 10.964 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.060 10.106 -0.877 1.00 0.00 H new ATOM 462 N ARG A 33 2.515 6.468 -1.563 1.00 0.00 N ATOM 463 CA ARG A 33 3.972 6.515 -1.573 1.00 0.00 C ATOM 464 C ARG A 33 4.484 7.246 -2.811 1.00 0.00 C ATOM 465 O ARG A 33 4.959 8.378 -2.725 1.00 0.00 O ATOM 466 CB ARG A 33 4.550 5.100 -1.528 1.00 0.00 C ATOM 467 CG ARG A 33 6.069 5.062 -1.526 1.00 0.00 C ATOM 468 CD ARG A 33 6.597 3.937 -0.649 1.00 0.00 C ATOM 469 NE ARG A 33 7.877 3.423 -1.130 1.00 0.00 N ATOM 470 CZ ARG A 33 8.421 2.289 -0.703 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.799 1.554 0.208 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.589 1.888 -1.188 1.00 0.00 N ATOM 0 H ARG A 33 2.123 5.532 -1.661 1.00 0.00 H new ATOM 0 HA ARG A 33 4.299 7.061 -0.688 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.181 4.594 -0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.182 4.539 -2.387 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.432 4.931 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.457 6.016 -1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.712 4.298 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.868 3.127 -0.621 1.00 0.00 H new ATOM 0 HE ARG A 33 8.381 3.965 -1.832 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.901 1.859 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.219 0.684 0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.070 2.451 -1.890 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.006 1.017 -0.859 1.00 0.00 H new ATOM 486 N VAL A 34 4.383 6.590 -3.963 1.00 0.00 N ATOM 487 CA VAL A 34 4.835 7.176 -5.219 1.00 0.00 C ATOM 488 C VAL A 34 4.202 8.544 -5.446 1.00 0.00 C ATOM 489 O VAL A 34 4.792 9.413 -6.087 1.00 0.00 O ATOM 490 CB VAL A 34 4.504 6.265 -6.415 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.999 6.179 -6.621 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.196 6.766 -7.674 1.00 0.00 C ATOM 0 H VAL A 34 3.992 5.652 -4.052 1.00 0.00 H new ATOM 0 HA VAL A 34 5.917 7.287 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 34 4.874 5.263 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.785 5.531 -7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.532 5.770 -5.725 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.601 7.175 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.951 6.110 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.859 7.778 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.275 6.769 -7.519 1.00 0.00 H new ATOM 502 N GLU A 35 2.997 8.728 -4.915 1.00 0.00 N ATOM 503 CA GLU A 35 2.283 9.991 -5.060 1.00 0.00 C ATOM 504 C GLU A 35 3.049 11.129 -4.391 1.00 0.00 C ATOM 505 O GLU A 35 3.042 12.263 -4.871 1.00 0.00 O ATOM 506 CB GLU A 35 0.881 9.883 -4.458 1.00 0.00 C ATOM 507 CG GLU A 35 0.119 8.647 -4.908 1.00 0.00 C ATOM 508 CD GLU A 35 0.208 8.420 -6.405 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.216 9.417 -7.157 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.269 7.245 -6.823 1.00 0.00 O ATOM 0 H GLU A 35 2.495 8.019 -4.381 1.00 0.00 H new ATOM 0 HA GLU A 35 2.197 10.210 -6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.961 9.874 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.309 10.771 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.512 7.773 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.928 8.745 -4.621 1.00 0.00 H new ATOM 517 N TYR A 36 3.708 10.818 -3.281 1.00 0.00 N ATOM 518 CA TYR A 36 4.477 11.814 -2.544 1.00 0.00 C ATOM 519 C TYR A 36 5.945 11.785 -2.957 1.00 0.00 C ATOM 520 O TYR A 36 6.652 12.787 -2.854 1.00 0.00 O ATOM 521 CB TYR A 36 4.355 11.571 -1.038 1.00 0.00 C ATOM 522 CG TYR A 36 3.076 12.111 -0.440 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.837 11.729 -0.938 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.107 13.003 0.625 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.666 12.221 -0.394 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.941 13.499 1.176 1.00 0.00 C ATOM 527 CZ TYR A 36 0.723 13.105 0.663 1.00 0.00 C ATOM 528 OH TYR A 36 -0.441 13.596 1.208 1.00 0.00 O ATOM 0 H TYR A 36 3.725 9.884 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 36 4.071 12.797 -2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.412 10.500 -0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.205 12.031 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.788 11.036 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.059 13.314 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.289 11.915 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.983 14.191 2.004 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.155 12.932 1.108 1.00 0.00 H new ATOM 538 N THR A 37 6.398 10.626 -3.428 1.00 0.00 N ATOM 539 CA THR A 37 7.781 10.464 -3.858 1.00 0.00 C ATOM 540 C THR A 37 8.111 11.401 -5.014 1.00 0.00 C ATOM 541 O THR A 37 9.246 11.854 -5.153 1.00 0.00 O ATOM 542 CB THR A 37 8.069 9.014 -4.288 1.00 0.00 C ATOM 543 OG1 THR A 37 7.500 8.100 -3.344 1.00 0.00 O ATOM 544 CG2 THR A 37 9.566 8.769 -4.400 1.00 0.00 C ATOM 0 H THR A 37 5.826 9.786 -3.521 1.00 0.00 H new ATOM 0 HA THR A 37 8.409 10.713 -3.003 1.00 0.00 H new ATOM 0 HB THR A 37 7.617 8.853 -5.267 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.719 8.513 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.744 7.738 -4.705 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.991 9.445 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.037 8.948 -3.434 1.00 0.00 H new ATOM 552 N GLN A 38 7.111 11.687 -5.842 1.00 0.00 N ATOM 553 CA GLN A 38 7.296 12.570 -6.987 1.00 0.00 C ATOM 554 C GLN A 38 6.875 13.996 -6.649 1.00 0.00 C ATOM 555 O GLN A 38 7.379 14.957 -7.229 1.00 0.00 O ATOM 556 CB GLN A 38 6.495 12.060 -8.187 1.00 0.00 C ATOM 557 CG GLN A 38 6.875 10.652 -8.617 1.00 0.00 C ATOM 558 CD GLN A 38 6.555 10.381 -10.074 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.657 11.271 -10.919 1.00 0.00 O ATOM 560 NE2 GLN A 38 6.166 9.148 -10.376 1.00 0.00 N ATOM 0 H GLN A 38 6.165 11.320 -5.741 1.00 0.00 H new ATOM 0 HA GLN A 38 8.356 12.574 -7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.433 12.082 -7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.641 12.740 -9.027 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.941 10.500 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.348 9.931 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.095 8.442 -9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.938 8.907 -11.340 1.00 0.00 H new ATOM 569 N MET A 39 5.947 14.125 -5.706 1.00 0.00 N ATOM 570 CA MET A 39 5.459 15.435 -5.290 1.00 0.00 C ATOM 571 C MET A 39 6.480 16.139 -4.402 1.00 0.00 C ATOM 572 O MET A 39 6.575 17.367 -4.403 1.00 0.00 O ATOM 573 CB MET A 39 4.130 15.294 -4.545 1.00 0.00 C ATOM 574 CG MET A 39 2.914 15.339 -5.458 1.00 0.00 C ATOM 575 SD MET A 39 1.416 15.849 -4.594 1.00 0.00 S ATOM 576 CE MET A 39 0.709 14.258 -4.174 1.00 0.00 C ATOM 0 H MET A 39 5.518 13.340 -5.216 1.00 0.00 H new ATOM 0 HA MET A 39 5.305 16.038 -6.184 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.128 14.352 -3.997 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.050 16.092 -3.807 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.107 16.028 -6.280 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.758 14.354 -5.898 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.235 14.406 -3.649 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.532 13.687 -5.085 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.399 13.711 -3.531 1.00 0.00 H new ATOM 586 N TYR A 40 7.241 15.355 -3.647 1.00 0.00 N ATOM 587 CA TYR A 40 8.253 15.905 -2.752 1.00 0.00 C ATOM 588 C TYR A 40 9.587 15.187 -2.934 1.00 0.00 C ATOM 589 O TYR A 40 10.045 14.445 -2.065 1.00 0.00 O ATOM 590 CB TYR A 40 7.794 15.791 -1.298 1.00 0.00 C ATOM 591 CG TYR A 40 6.513 16.540 -1.007 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.282 16.030 -1.404 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.532 17.757 -0.337 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.109 16.711 -1.141 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.364 18.444 -0.069 1.00 0.00 C ATOM 596 CZ TYR A 40 4.155 17.917 -0.473 1.00 0.00 C ATOM 597 OH TYR A 40 2.989 18.599 -0.209 1.00 0.00 O ATOM 0 H TYR A 40 7.177 14.337 -3.637 1.00 0.00 H new ATOM 0 HA TYR A 40 8.390 16.957 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.654 14.739 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.582 16.169 -0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.242 15.086 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.477 18.173 -0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.161 16.301 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.397 19.388 0.454 1.00 0.00 H new ATOM 0 HH TYR A 40 3.197 19.429 0.269 1.00 0.00 H new ATOM 607 N PRO A 41 10.227 15.414 -4.090 1.00 0.00 N ATOM 608 CA PRO A 41 11.518 14.800 -4.414 1.00 0.00 C ATOM 609 C PRO A 41 12.655 15.357 -3.563 1.00 0.00 C ATOM 610 O PRO A 41 13.644 14.673 -3.307 1.00 0.00 O ATOM 611 CB PRO A 41 11.725 15.164 -5.886 1.00 0.00 C ATOM 612 CG PRO A 41 10.928 16.407 -6.085 1.00 0.00 C ATOM 613 CD PRO A 41 9.740 16.287 -5.171 1.00 0.00 C ATOM 0 HA PRO A 41 11.518 13.727 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.779 15.330 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.383 14.365 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.518 17.292 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.613 16.507 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.426 17.259 -4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.882 15.852 -5.683 1.00 0.00 H new ATOM 621 N GLY A 42 12.505 16.605 -3.127 1.00 0.00 N ATOM 622 CA GLY A 42 13.526 17.232 -2.309 1.00 0.00 C ATOM 623 C GLY A 42 13.530 16.711 -0.886 1.00 0.00 C ATOM 624 O GLY A 42 14.550 16.768 -0.198 1.00 0.00 O ATOM 0 H GLY A 42 11.695 17.192 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.504 17.059 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.366 18.310 -2.297 1.00 0.00 H new ATOM 628 N LYS A 43 12.386 16.203 -0.440 1.00 0.00 N ATOM 629 CA LYS A 43 12.260 15.669 0.911 1.00 0.00 C ATOM 630 C LYS A 43 12.795 14.243 0.985 1.00 0.00 C ATOM 631 O LYS A 43 12.891 13.552 -0.030 1.00 0.00 O ATOM 632 CB LYS A 43 10.797 15.700 1.359 1.00 0.00 C ATOM 633 CG LYS A 43 10.300 17.090 1.718 1.00 0.00 C ATOM 634 CD LYS A 43 9.046 17.030 2.574 1.00 0.00 C ATOM 635 CE LYS A 43 8.710 18.390 3.167 1.00 0.00 C ATOM 636 NZ LYS A 43 7.936 19.234 2.216 1.00 0.00 N ATOM 0 H LYS A 43 11.532 16.150 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 43 12.852 16.295 1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.173 15.295 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.676 15.046 2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.081 17.630 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.093 17.650 0.806 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.209 16.678 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.187 16.306 3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.135 18.255 4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.631 18.904 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.429 19.974 2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.587 19.677 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.251 18.642 1.704 1.00 0.00 H new ATOM 650 N ASP A 44 13.141 13.808 2.191 1.00 0.00 N ATOM 651 CA ASP A 44 13.664 12.462 2.398 1.00 0.00 C ATOM 652 C ASP A 44 12.553 11.507 2.823 1.00 0.00 C ATOM 653 O ASP A 44 11.485 11.935 3.257 1.00 0.00 O ATOM 654 CB ASP A 44 14.771 12.479 3.453 1.00 0.00 C ATOM 655 CG ASP A 44 14.393 13.291 4.677 1.00 0.00 C ATOM 656 OD1 ASP A 44 13.283 13.080 5.208 1.00 0.00 O ATOM 657 OD2 ASP A 44 15.206 14.137 5.102 1.00 0.00 O ATOM 0 H ASP A 44 13.069 14.368 3.041 1.00 0.00 H new ATOM 0 HA ASP A 44 14.079 12.110 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.997 11.456 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.680 12.890 3.015 1.00 0.00 H new ATOM 662 N ASN A 45 12.814 10.210 2.694 1.00 0.00 N ATOM 663 CA ASN A 45 11.835 9.193 3.063 1.00 0.00 C ATOM 664 C ASN A 45 11.345 9.404 4.492 1.00 0.00 C ATOM 665 O ASN A 45 10.164 9.221 4.787 1.00 0.00 O ATOM 666 CB ASN A 45 12.442 7.796 2.922 1.00 0.00 C ATOM 667 CG ASN A 45 11.519 6.709 3.437 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.296 6.825 3.350 1.00 0.00 O ATOM 669 ND2 ASN A 45 12.101 5.646 3.978 1.00 0.00 N ATOM 0 H ASN A 45 13.694 9.838 2.337 1.00 0.00 H new ATOM 0 HA ASN A 45 10.984 9.282 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.672 7.607 1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.385 7.756 3.467 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.531 4.883 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.118 5.592 4.029 1.00 0.00 H new ATOM 676 N ARG A 46 12.259 9.792 5.375 1.00 0.00 N ATOM 677 CA ARG A 46 11.920 10.027 6.773 1.00 0.00 C ATOM 678 C ARG A 46 10.831 11.089 6.897 1.00 0.00 C ATOM 679 O ARG A 46 10.072 11.104 7.866 1.00 0.00 O ATOM 680 CB ARG A 46 13.161 10.461 7.555 1.00 0.00 C ATOM 681 CG ARG A 46 12.968 10.445 9.063 1.00 0.00 C ATOM 682 CD ARG A 46 14.288 10.626 9.796 1.00 0.00 C ATOM 683 NE ARG A 46 15.234 9.556 9.492 1.00 0.00 N ATOM 684 CZ ARG A 46 15.112 8.315 9.952 1.00 0.00 C ATOM 685 NH1 ARG A 46 14.090 7.991 10.731 1.00 0.00 N ATOM 686 NH2 ARG A 46 16.014 7.396 9.631 1.00 0.00 N ATOM 0 H ARG A 46 13.240 9.950 5.147 1.00 0.00 H new ATOM 0 HA ARG A 46 11.543 9.094 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.991 9.804 7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.442 11.467 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.279 11.239 9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.511 9.502 9.362 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.726 11.586 9.522 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.105 10.654 10.870 1.00 0.00 H new ATOM 0 HE ARG A 46 16.032 9.773 8.894 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.395 8.695 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.999 7.038 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.801 7.642 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.920 6.444 9.984 1.00 0.00 H new ATOM 700 N ALA A 47 10.762 11.976 5.910 1.00 0.00 N ATOM 701 CA ALA A 47 9.766 13.041 5.908 1.00 0.00 C ATOM 702 C ALA A 47 8.486 12.593 5.210 1.00 0.00 C ATOM 703 O ALA A 47 7.383 12.878 5.676 1.00 0.00 O ATOM 704 CB ALA A 47 10.327 14.287 5.238 1.00 0.00 C ATOM 0 H ALA A 47 11.384 11.978 5.101 1.00 0.00 H new ATOM 0 HA ALA A 47 9.521 13.278 6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.573 15.074 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.209 14.626 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.601 14.055 4.209 1.00 0.00 H new ATOM 710 N ILE A 48 8.641 11.892 4.092 1.00 0.00 N ATOM 711 CA ILE A 48 7.497 11.405 3.332 1.00 0.00 C ATOM 712 C ILE A 48 6.527 10.641 4.226 1.00 0.00 C ATOM 713 O ILE A 48 5.320 10.633 3.986 1.00 0.00 O ATOM 714 CB ILE A 48 7.939 10.491 2.174 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.891 11.239 1.239 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.727 9.982 1.408 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.249 12.418 0.540 1.00 0.00 C ATOM 0 H ILE A 48 9.547 11.649 3.693 1.00 0.00 H new ATOM 0 HA ILE A 48 6.995 12.281 2.922 1.00 0.00 H new ATOM 0 HB ILE A 48 8.468 9.633 2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.749 11.590 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.271 10.545 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.056 9.338 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.083 9.416 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.173 10.827 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.982 12.901 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.408 12.071 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.894 13.132 1.283 1.00 0.00 H new ATOM 729 N SER A 49 7.064 10.000 5.260 1.00 0.00 N ATOM 730 CA SER A 49 6.246 9.231 6.191 1.00 0.00 C ATOM 731 C SER A 49 5.520 10.153 7.166 1.00 0.00 C ATOM 732 O SER A 49 4.297 10.097 7.297 1.00 0.00 O ATOM 733 CB SER A 49 7.114 8.235 6.963 1.00 0.00 C ATOM 734 OG SER A 49 6.454 7.785 8.133 1.00 0.00 O ATOM 0 H SER A 49 8.061 9.998 5.474 1.00 0.00 H new ATOM 0 HA SER A 49 5.501 8.682 5.614 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.351 7.384 6.325 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.060 8.705 7.233 1.00 0.00 H new ATOM 0 HG SER A 49 7.028 7.149 8.608 1.00 0.00 H new ATOM 740 N VAL A 50 6.282 11.001 7.848 1.00 0.00 N ATOM 741 CA VAL A 50 5.713 11.936 8.811 1.00 0.00 C ATOM 742 C VAL A 50 4.586 12.751 8.185 1.00 0.00 C ATOM 743 O VAL A 50 3.604 13.083 8.849 1.00 0.00 O ATOM 744 CB VAL A 50 6.783 12.898 9.360 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.164 13.885 10.338 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.912 12.119 10.018 1.00 0.00 C ATOM 0 H VAL A 50 7.296 11.060 7.752 1.00 0.00 H new ATOM 0 HA VAL A 50 5.315 11.341 9.633 1.00 0.00 H new ATOM 0 HB VAL A 50 7.200 13.463 8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.936 14.556 10.715 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.394 14.466 9.830 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.718 13.341 11.171 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.659 12.814 10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.513 11.526 10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.373 11.458 9.285 1.00 0.00 H new ATOM 756 N ILE A 51 4.735 13.069 6.904 1.00 0.00 N ATOM 757 CA ILE A 51 3.729 13.844 6.188 1.00 0.00 C ATOM 758 C ILE A 51 2.522 12.982 5.833 1.00 0.00 C ATOM 759 O ILE A 51 1.380 13.443 5.882 1.00 0.00 O ATOM 760 CB ILE A 51 4.304 14.459 4.898 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.500 15.356 5.224 1.00 0.00 C ATOM 762 CG2 ILE A 51 3.230 15.245 4.161 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.290 15.776 4.005 1.00 0.00 C ATOM 0 H ILE A 51 5.542 12.802 6.340 1.00 0.00 H new ATOM 0 HA ILE A 51 3.416 14.647 6.855 1.00 0.00 H new ATOM 0 HB ILE A 51 4.645 13.652 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.145 16.247 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.162 14.830 5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.652 15.673 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.407 14.580 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.861 16.046 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.122 16.410 4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.675 14.891 3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.643 16.330 3.325 1.00 0.00 H new ATOM 775 N LEU A 52 2.781 11.729 5.476 1.00 0.00 N ATOM 776 CA LEU A 52 1.715 10.801 5.114 1.00 0.00 C ATOM 777 C LEU A 52 0.801 10.531 6.305 1.00 0.00 C ATOM 778 O LEU A 52 -0.422 10.589 6.187 1.00 0.00 O ATOM 779 CB LEU A 52 2.309 9.487 4.604 1.00 0.00 C ATOM 780 CG LEU A 52 2.750 9.474 3.140 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.766 8.367 2.899 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.548 9.307 2.222 1.00 0.00 C ATOM 0 H LEU A 52 3.719 11.332 5.429 1.00 0.00 H new ATOM 0 HA LEU A 52 1.122 11.257 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.169 9.235 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.571 8.698 4.747 1.00 0.00 H new ATOM 0 HG LEU A 52 3.224 10.429 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.069 8.373 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.639 8.531 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.319 7.403 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.881 9.300 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.045 8.367 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.855 10.135 2.375 1.00 0.00 H new ATOM 794 N GLY A 53 1.404 10.236 7.453 1.00 0.00 N ATOM 795 CA GLY A 53 0.628 9.964 8.649 1.00 0.00 C ATOM 796 C GLY A 53 -0.381 11.054 8.947 1.00 0.00 C ATOM 797 O GLY A 53 -1.537 10.771 9.262 1.00 0.00 O ATOM 0 H GLY A 53 2.415 10.181 7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.107 9.014 8.532 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.302 9.855 9.499 1.00 0.00 H new ATOM 801 N ASP A 54 0.056 12.305 8.849 1.00 0.00 N ATOM 802 CA ASP A 54 -0.818 13.443 9.111 1.00 0.00 C ATOM 803 C ASP A 54 -2.106 13.337 8.300 1.00 0.00 C ATOM 804 O ASP A 54 -3.205 13.437 8.847 1.00 0.00 O ATOM 805 CB ASP A 54 -0.099 14.752 8.782 1.00 0.00 C ATOM 806 CG ASP A 54 -0.725 15.947 9.474 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.161 15.798 10.634 1.00 0.00 O ATOM 808 OD2 ASP A 54 -0.780 17.030 8.855 1.00 0.00 O ATOM 0 H ASP A 54 1.010 12.557 8.590 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.075 13.436 10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.947 14.672 9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.115 14.911 7.704 1.00 0.00 H new ATOM 813 N ARG A 55 -1.962 13.136 6.995 1.00 0.00 N ATOM 814 CA ARG A 55 -3.113 13.020 6.108 1.00 0.00 C ATOM 815 C ARG A 55 -4.079 11.949 6.609 1.00 0.00 C ATOM 816 O ARG A 55 -5.295 12.139 6.590 1.00 0.00 O ATOM 817 CB ARG A 55 -2.658 12.686 4.686 1.00 0.00 C ATOM 818 CG ARG A 55 -2.233 13.904 3.881 1.00 0.00 C ATOM 819 CD ARG A 55 -0.757 14.213 4.076 1.00 0.00 C ATOM 820 NE ARG A 55 -0.335 15.377 3.301 1.00 0.00 N ATOM 821 CZ ARG A 55 -0.692 16.623 3.592 1.00 0.00 C ATOM 822 NH1 ARG A 55 -1.472 16.865 4.636 1.00 0.00 N ATOM 823 NH2 ARG A 55 -0.267 17.629 2.839 1.00 0.00 N ATOM 0 H ARG A 55 -1.059 13.050 6.528 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.631 13.979 6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.825 11.985 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.470 12.180 4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.433 13.731 2.824 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.829 14.766 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.560 14.391 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.163 13.347 3.782 1.00 0.00 H new ATOM 0 HE ARG A 55 0.267 15.225 2.492 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.799 16.094 5.218 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.745 17.822 4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.334 17.446 2.036 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.542 18.585 3.063 1.00 0.00 H new ATOM 837 N TRP A 56 -3.528 10.826 7.055 1.00 0.00 N ATOM 838 CA TRP A 56 -4.340 9.725 7.560 1.00 0.00 C ATOM 839 C TRP A 56 -5.165 10.165 8.764 1.00 0.00 C ATOM 840 O TRP A 56 -6.205 9.578 9.065 1.00 0.00 O ATOM 841 CB TRP A 56 -3.451 8.540 7.941 1.00 0.00 C ATOM 842 CG TRP A 56 -4.197 7.430 8.616 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.447 7.304 9.952 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.788 6.288 7.986 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.158 6.153 10.192 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.381 5.512 9.002 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.876 5.846 6.663 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.050 4.321 8.733 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.540 4.663 6.399 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.120 3.912 7.429 1.00 0.00 C ATOM 0 H TRP A 56 -2.523 10.654 7.077 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.023 9.417 6.768 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.971 8.152 7.043 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.657 8.888 8.601 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.132 8.006 10.710 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.469 5.829 11.108 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.433 6.419 5.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.498 3.740 9.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.613 4.311 5.380 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.633 2.992 7.189 1.00 0.00 H new ATOM 861 N LYS A 57 -4.696 11.202 9.450 1.00 0.00 N ATOM 862 CA LYS A 57 -5.391 11.722 10.622 1.00 0.00 C ATOM 863 C LYS A 57 -6.486 12.703 10.214 1.00 0.00 C ATOM 864 O LYS A 57 -7.532 12.785 10.857 1.00 0.00 O ATOM 865 CB LYS A 57 -4.401 12.409 11.564 1.00 0.00 C ATOM 866 CG LYS A 57 -3.127 11.615 11.792 1.00 0.00 C ATOM 867 CD LYS A 57 -2.568 11.845 13.186 1.00 0.00 C ATOM 868 CE LYS A 57 -2.215 13.307 13.411 1.00 0.00 C ATOM 869 NZ LYS A 57 -3.321 14.048 14.079 1.00 0.00 N ATOM 0 H LYS A 57 -3.837 11.699 9.214 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.854 10.883 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.142 13.386 11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.887 12.583 12.524 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.329 10.553 11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.382 11.900 11.049 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.299 11.528 13.929 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.680 11.229 13.329 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.314 13.373 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.989 13.777 12.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.923 14.785 14.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.928 14.489 13.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.886 13.388 14.650 1.00 0.00 H new ATOM 883 N LYS A 58 -6.238 13.446 9.140 1.00 0.00 N ATOM 884 CA LYS A 58 -7.203 14.420 8.644 1.00 0.00 C ATOM 885 C LYS A 58 -8.408 13.723 8.020 1.00 0.00 C ATOM 886 O LYS A 58 -9.532 14.218 8.099 1.00 0.00 O ATOM 887 CB LYS A 58 -6.544 15.342 7.615 1.00 0.00 C ATOM 888 CG LYS A 58 -6.437 16.786 8.073 1.00 0.00 C ATOM 889 CD LYS A 58 -4.990 17.196 8.290 1.00 0.00 C ATOM 890 CE LYS A 58 -4.891 18.553 8.968 1.00 0.00 C ATOM 891 NZ LYS A 58 -5.382 18.508 10.374 1.00 0.00 N ATOM 0 H LYS A 58 -5.377 13.392 8.597 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.548 15.016 9.489 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.546 14.966 7.389 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.116 15.305 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.894 17.439 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.996 16.917 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.486 16.446 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.472 17.228 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.855 18.890 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.471 19.284 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.056 19.355 10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.422 18.480 10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.011 17.658 10.844 1.00 0.00 H new ATOM 905 N MET A 59 -8.165 12.572 7.402 1.00 0.00 N ATOM 906 CA MET A 59 -9.232 11.806 6.767 1.00 0.00 C ATOM 907 C MET A 59 -10.320 11.450 7.776 1.00 0.00 C ATOM 908 O MET A 59 -10.123 11.571 8.985 1.00 0.00 O ATOM 909 CB MET A 59 -8.668 10.531 6.136 1.00 0.00 C ATOM 910 CG MET A 59 -8.073 10.749 4.755 1.00 0.00 C ATOM 911 SD MET A 59 -7.769 9.203 3.878 1.00 0.00 S ATOM 912 CE MET A 59 -6.657 8.382 5.016 1.00 0.00 C ATOM 0 H MET A 59 -7.240 12.149 7.327 1.00 0.00 H new ATOM 0 HA MET A 59 -9.674 12.424 5.986 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.901 10.119 6.792 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.462 9.787 6.067 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.749 11.369 4.166 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.137 11.299 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.391 7.401 4.621 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.754 8.981 5.138 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.147 8.263 5.982 1.00 0.00 H new ATOM 922 N LYS A 60 -11.468 11.011 7.271 1.00 0.00 N ATOM 923 CA LYS A 60 -12.587 10.636 8.127 1.00 0.00 C ATOM 924 C LYS A 60 -12.558 9.143 8.438 1.00 0.00 C ATOM 925 O LYS A 60 -11.602 8.447 8.098 1.00 0.00 O ATOM 926 CB LYS A 60 -13.913 11.002 7.457 1.00 0.00 C ATOM 927 CG LYS A 60 -14.021 12.471 7.085 1.00 0.00 C ATOM 928 CD LYS A 60 -14.651 13.285 8.203 1.00 0.00 C ATOM 929 CE LYS A 60 -15.022 14.683 7.733 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.191 14.668 6.811 1.00 0.00 N ATOM 0 H LYS A 60 -11.648 10.906 6.272 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.496 11.186 9.064 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.035 10.398 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.733 10.744 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.029 12.864 6.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.617 12.575 6.178 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.542 12.774 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.957 13.354 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -15.249 15.308 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.168 15.135 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.538 15.639 6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.904 14.271 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.948 14.084 7.220 1.00 0.00 H new ATOM 944 N ASN A 61 -13.612 8.657 9.086 1.00 0.00 N ATOM 945 CA ASN A 61 -13.707 7.246 9.441 1.00 0.00 C ATOM 946 C ASN A 61 -13.832 6.378 8.193 1.00 0.00 C ATOM 947 O ASN A 61 -13.092 5.409 8.023 1.00 0.00 O ATOM 948 CB ASN A 61 -14.907 7.010 10.362 1.00 0.00 C ATOM 949 CG ASN A 61 -14.985 8.030 11.482 1.00 0.00 C ATOM 950 OD1 ASN A 61 -15.996 8.714 11.643 1.00 0.00 O ATOM 951 ND2 ASN A 61 -13.915 8.136 12.261 1.00 0.00 N ATOM 0 H ASN A 61 -14.412 9.220 9.376 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.793 6.967 9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.825 7.048 9.775 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.843 6.009 10.789 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.909 8.805 13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.099 7.548 12.090 1.00 0.00 H new ATOM 958 N GLU A 62 -14.772 6.733 7.323 1.00 0.00 N ATOM 959 CA GLU A 62 -14.993 5.985 6.091 1.00 0.00 C ATOM 960 C GLU A 62 -13.797 6.119 5.151 1.00 0.00 C ATOM 961 O GLU A 62 -13.439 5.174 4.449 1.00 0.00 O ATOM 962 CB GLU A 62 -16.262 6.475 5.391 1.00 0.00 C ATOM 963 CG GLU A 62 -16.179 7.917 4.919 1.00 0.00 C ATOM 964 CD GLU A 62 -17.477 8.407 4.309 1.00 0.00 C ATOM 965 OE1 GLU A 62 -17.900 7.840 3.279 1.00 0.00 O ATOM 966 OE2 GLU A 62 -18.071 9.358 4.860 1.00 0.00 O ATOM 0 H GLU A 62 -15.392 7.533 7.448 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.113 4.933 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.465 5.832 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.106 6.373 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.914 8.556 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.379 8.009 4.184 1.00 0.00 H new ATOM 973 N GLU A 63 -13.186 7.299 5.145 1.00 0.00 N ATOM 974 CA GLU A 63 -12.032 7.557 4.292 1.00 0.00 C ATOM 975 C GLU A 63 -10.920 6.548 4.562 1.00 0.00 C ATOM 976 O GLU A 63 -10.091 6.275 3.694 1.00 0.00 O ATOM 977 CB GLU A 63 -11.512 8.979 4.515 1.00 0.00 C ATOM 978 CG GLU A 63 -12.464 10.058 4.029 1.00 0.00 C ATOM 979 CD GLU A 63 -12.523 10.146 2.516 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.493 9.873 1.865 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.600 10.488 1.984 1.00 0.00 O ATOM 0 H GLU A 63 -13.471 8.091 5.721 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.349 7.453 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.323 9.125 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.556 9.092 4.003 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.463 9.858 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.152 11.021 4.433 1.00 0.00 H new ATOM 988 N ARG A 64 -10.907 6.000 5.773 1.00 0.00 N ATOM 989 CA ARG A 64 -9.896 5.023 6.159 1.00 0.00 C ATOM 990 C ARG A 64 -10.440 3.602 6.043 1.00 0.00 C ATOM 991 O ARG A 64 -9.682 2.650 5.857 1.00 0.00 O ATOM 992 CB ARG A 64 -9.424 5.285 7.590 1.00 0.00 C ATOM 993 CG ARG A 64 -8.617 6.564 7.741 1.00 0.00 C ATOM 994 CD ARG A 64 -8.338 6.877 9.203 1.00 0.00 C ATOM 995 NE ARG A 64 -9.454 7.578 9.834 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.377 8.156 11.027 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.244 8.118 11.715 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.435 8.775 11.535 1.00 0.00 N ATOM 0 H ARG A 64 -11.585 6.216 6.504 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.050 5.126 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.293 5.334 8.247 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.819 4.442 7.924 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.674 6.467 7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.159 7.393 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.141 5.950 9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.438 7.487 9.278 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.340 7.626 9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.428 7.644 11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.188 8.563 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.308 8.807 11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.375 9.219 12.451 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.758 3.468 6.153 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.403 2.164 6.063 1.00 0.00 C ATOM 1014 C ARG A 65 -11.968 1.429 4.798 1.00 0.00 C ATOM 1015 O ARG A 65 -11.766 0.215 4.813 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.925 2.322 6.075 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.661 1.090 6.577 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.164 1.319 6.621 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.856 0.266 7.359 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.163 0.273 7.597 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.915 1.272 7.157 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.720 -0.722 8.276 1.00 0.00 N ATOM 0 H ARG A 65 -12.399 4.246 6.305 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.099 1.575 6.928 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.189 3.173 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.266 2.552 5.066 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.440 0.243 5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.302 0.831 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.370 2.283 7.086 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.554 1.365 5.604 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.306 -0.518 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.490 2.038 6.634 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.918 1.275 7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.145 -1.493 8.615 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.724 -0.716 8.458 1.00 0.00 H new ATOM 1036 N MET A 66 -11.826 2.173 3.706 1.00 0.00 N ATOM 1037 CA MET A 66 -11.414 1.591 2.434 1.00 0.00 C ATOM 1038 C MET A 66 -10.143 0.764 2.600 1.00 0.00 C ATOM 1039 O MET A 66 -9.948 -0.237 1.910 1.00 0.00 O ATOM 1040 CB MET A 66 -11.188 2.692 1.395 1.00 0.00 C ATOM 1041 CG MET A 66 -10.150 3.720 1.815 1.00 0.00 C ATOM 1042 SD MET A 66 -10.184 5.201 0.787 1.00 0.00 S ATOM 1043 CE MET A 66 -11.819 5.832 1.156 1.00 0.00 C ATOM 0 H MET A 66 -11.990 3.179 3.676 1.00 0.00 H new ATOM 0 HA MET A 66 -12.211 0.933 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.876 2.235 0.456 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.134 3.200 1.204 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.321 4.000 2.854 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.158 3.271 1.765 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.797 6.922 1.155 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.523 5.482 0.401 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.133 5.476 2.137 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.282 1.189 3.518 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.029 0.489 3.772 1.00 0.00 C ATOM 1055 C TYR A 67 -8.172 -0.475 4.946 1.00 0.00 C ATOM 1056 O TYR A 67 -7.517 -1.517 4.994 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.909 1.491 4.055 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.880 2.655 3.090 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.398 2.499 1.796 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.336 3.910 3.472 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.369 3.560 0.912 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.313 4.977 2.594 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.828 4.796 1.315 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.803 5.855 0.437 1.00 0.00 O ATOM 0 H TYR A 67 -9.429 2.015 4.098 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.777 -0.086 2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.023 1.874 5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.951 0.973 4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.040 1.532 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.715 4.055 4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.989 3.422 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.672 5.946 2.907 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.719 6.083 0.173 1.00 0.00 H new ATOM 1074 N THR A 68 -9.035 -0.120 5.894 1.00 0.00 N ATOM 1075 CA THR A 68 -9.265 -0.952 7.068 1.00 0.00 C ATOM 1076 C THR A 68 -9.760 -2.338 6.672 1.00 0.00 C ATOM 1077 O THR A 68 -9.084 -3.341 6.907 1.00 0.00 O ATOM 1078 CB THR A 68 -10.289 -0.307 8.021 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.134 1.117 8.016 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.118 -0.835 9.437 1.00 0.00 C ATOM 0 H THR A 68 -9.586 0.738 5.871 1.00 0.00 H new ATOM 0 HA THR A 68 -8.308 -1.044 7.582 1.00 0.00 H new ATOM 0 HB THR A 68 -11.289 -0.565 7.672 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.790 1.520 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.852 -0.365 10.092 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.265 -1.915 9.443 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.114 -0.604 9.793 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.943 -2.389 6.070 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.528 -3.654 5.639 1.00 0.00 C ATOM 1090 C LEU A 69 -10.652 -4.332 4.591 1.00 0.00 C ATOM 1091 O LEU A 69 -10.417 -5.538 4.651 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.931 -3.424 5.075 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.024 -3.113 6.099 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -15.092 -2.221 5.486 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.640 -4.399 6.629 1.00 0.00 C ATOM 0 H LEU A 69 -11.516 -1.569 5.869 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.594 -4.309 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.884 -2.601 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.226 -4.312 4.517 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.571 -2.580 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.861 -2.011 6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.640 -1.285 5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.542 -2.727 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.415 -4.158 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.078 -4.960 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.868 -5.002 7.108 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.168 -3.546 3.634 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.316 -4.071 2.573 1.00 0.00 C ATOM 1109 C GLU A 70 -8.135 -4.841 3.156 1.00 0.00 C ATOM 1110 O GLU A 70 -7.947 -6.022 2.866 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.809 -2.932 1.686 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.855 -3.390 0.595 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.520 -4.308 -0.413 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.603 -3.947 -0.919 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -7.957 -5.386 -0.695 1.00 0.00 O ATOM 0 H GLU A 70 -10.351 -2.545 3.572 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.911 -4.755 1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.662 -2.434 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.307 -2.193 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.454 -2.518 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.010 -3.907 1.050 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.342 -4.163 3.979 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.180 -4.783 4.604 1.00 0.00 C ATOM 1124 C ALA A 71 -6.598 -5.902 5.552 1.00 0.00 C ATOM 1125 O ALA A 71 -5.979 -6.965 5.587 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.359 -3.739 5.346 1.00 0.00 C ATOM 0 H ALA A 71 -7.483 -3.184 4.229 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.565 -5.220 3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.495 -4.217 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.021 -2.976 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.973 -3.275 6.118 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.652 -5.655 6.323 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.155 -6.641 7.272 1.00 0.00 C ATOM 1134 C LYS A 72 -8.456 -7.963 6.575 1.00 0.00 C ATOM 1135 O LYS A 72 -8.329 -9.033 7.170 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.416 -6.117 7.963 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.985 -7.074 8.997 1.00 0.00 C ATOM 1138 CD LYS A 72 -10.869 -6.350 9.999 1.00 0.00 C ATOM 1139 CE LYS A 72 -11.760 -7.321 10.758 1.00 0.00 C ATOM 1140 NZ LYS A 72 -10.975 -8.201 11.666 1.00 0.00 N ATOM 0 H LYS A 72 -8.175 -4.779 6.309 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.383 -6.814 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.187 -5.167 8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.177 -5.916 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.562 -7.851 8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.169 -7.571 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.246 -5.799 10.704 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.487 -5.618 9.479 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.494 -6.762 11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.315 -7.934 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.619 -8.848 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.292 -8.753 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.465 -7.618 12.359 1.00 0.00 H new