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 Set 1.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 TYR OH : rot -93:sc= 0.0717 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+ -152:sc= -0.182 (180deg=-0.779) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -140:sc= -0.624 USER MOD Single : A 37 THR OG1 : rot 58:sc= -0.0678 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.0803 F(o=-0.86,f=-0.08) USER MOD Single : A 49 SER OG : rot 49:sc= 0.103 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 177:sc= -3.61! (180deg=-4.03!) 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=-0.11) USER MOD Single : A 66 MET CE :methyl 155:sc= -1.51 (180deg=-4.37!) USER MOD Single : A 68 THR OG1 : rot 54:sc= 0.0517 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0767) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.519 -3.863 7.925 1.00 0.00 N ATOM 288 CA ASN A 23 -2.624 -3.109 8.506 1.00 0.00 C ATOM 289 C ASN A 23 -3.202 -2.124 7.494 1.00 0.00 C ATOM 290 O ASN A 23 -2.796 -2.102 6.333 1.00 0.00 O ATOM 291 CB ASN A 23 -2.156 -2.359 9.755 1.00 0.00 C ATOM 292 CG ASN A 23 -1.292 -3.220 10.657 1.00 0.00 C ATOM 293 OD1 ASN A 23 -1.645 -4.357 10.970 1.00 0.00 O ATOM 294 ND2 ASN A 23 -0.155 -2.680 11.079 1.00 0.00 N ATOM 0 HA ASN A 23 -3.406 -3.815 8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.594 -1.474 9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.025 -2.011 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.467 -3.211 11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.097 -1.734 10.794 1.00 0.00 H new ATOM 301 N ALA A 24 -4.151 -1.311 7.945 1.00 0.00 N ATOM 302 CA ALA A 24 -4.783 -0.322 7.080 1.00 0.00 C ATOM 303 C ALA A 24 -3.804 0.785 6.705 1.00 0.00 C ATOM 304 O ALA A 24 -3.753 1.219 5.554 1.00 0.00 O ATOM 305 CB ALA A 24 -6.012 0.265 7.759 1.00 0.00 C ATOM 0 H ALA A 24 -4.499 -1.317 8.904 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.093 -0.823 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.474 1.002 7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.726 -0.531 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.718 0.745 8.692 1.00 0.00 H new ATOM 311 N PHE A 25 -3.028 1.239 7.685 1.00 0.00 N ATOM 312 CA PHE A 25 -2.052 2.298 7.458 1.00 0.00 C ATOM 313 C PHE A 25 -1.085 1.916 6.340 1.00 0.00 C ATOM 314 O PHE A 25 -0.780 2.726 5.466 1.00 0.00 O ATOM 315 CB PHE A 25 -1.274 2.588 8.743 1.00 0.00 C ATOM 316 CG PHE A 25 -0.305 3.728 8.614 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.753 5.003 8.306 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.053 3.526 8.800 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.136 6.054 8.186 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.947 4.573 8.682 1.00 0.00 C ATOM 321 CZ PHE A 25 1.488 5.839 8.375 1.00 0.00 C ATOM 0 H PHE A 25 -3.057 0.890 8.643 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.591 3.196 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.980 2.811 9.543 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.730 1.691 9.039 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.809 5.177 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.417 2.538 9.040 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.225 7.043 7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.003 4.402 8.830 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.184 6.659 8.283 1.00 0.00 H new ATOM 331 N MET A 26 -0.608 0.677 6.377 1.00 0.00 N ATOM 332 CA MET A 26 0.324 0.186 5.368 1.00 0.00 C ATOM 333 C MET A 26 -0.218 0.433 3.963 1.00 0.00 C ATOM 334 O MET A 26 0.518 0.850 3.068 1.00 0.00 O ATOM 335 CB MET A 26 0.589 -1.307 5.570 1.00 0.00 C ATOM 336 CG MET A 26 1.414 -1.615 6.809 1.00 0.00 C ATOM 337 SD MET A 26 2.505 -3.032 6.581 1.00 0.00 S ATOM 338 CE MET A 26 4.040 -2.387 7.242 1.00 0.00 C ATOM 0 H MET A 26 -0.851 -0.006 7.095 1.00 0.00 H new ATOM 0 HA MET A 26 1.261 0.731 5.479 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.364 -1.831 5.639 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.105 -1.698 4.693 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.010 -0.741 7.071 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.745 -1.807 7.648 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.816 -3.150 7.171 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.341 -1.509 6.671 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.898 -2.110 8.287 1.00 0.00 H new ATOM 348 N LEU A 27 -1.507 0.174 3.777 1.00 0.00 N ATOM 349 CA LEU A 27 -2.147 0.367 2.481 1.00 0.00 C ATOM 350 C LEU A 27 -2.212 1.848 2.121 1.00 0.00 C ATOM 351 O LEU A 27 -2.172 2.216 0.947 1.00 0.00 O ATOM 352 CB LEU A 27 -3.556 -0.229 2.491 1.00 0.00 C ATOM 353 CG LEU A 27 -4.194 -0.466 1.122 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.387 -1.479 0.325 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.634 -0.933 1.279 1.00 0.00 C ATOM 0 H LEU A 27 -2.130 -0.170 4.508 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.548 -0.146 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.523 -1.179 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.205 0.434 3.062 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.196 0.477 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.856 -1.635 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.373 -1.105 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.352 -2.424 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.073 -1.097 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.655 -1.864 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.207 -0.173 1.810 1.00 0.00 H new ATOM 367 N PHE A 28 -2.311 2.695 3.141 1.00 0.00 N ATOM 368 CA PHE A 28 -2.380 4.137 2.933 1.00 0.00 C ATOM 369 C PHE A 28 -1.022 4.692 2.513 1.00 0.00 C ATOM 370 O PHE A 28 -0.874 5.237 1.419 1.00 0.00 O ATOM 371 CB PHE A 28 -2.856 4.835 4.208 1.00 0.00 C ATOM 372 CG PHE A 28 -2.688 6.328 4.174 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.513 6.916 4.615 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.703 7.142 3.698 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.356 8.288 4.585 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.551 8.515 3.665 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.376 9.089 4.108 1.00 0.00 C ATOM 0 H PHE A 28 -2.345 2.408 4.119 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.095 4.329 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.908 4.600 4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.305 4.435 5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.711 6.295 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.624 6.698 3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.437 8.734 4.934 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.351 9.139 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.254 10.162 4.082 1.00 0.00 H new ATOM 387 N ALA A 29 -0.034 4.549 3.390 1.00 0.00 N ATOM 388 CA ALA A 29 1.312 5.034 3.110 1.00 0.00 C ATOM 389 C ALA A 29 1.830 4.483 1.786 1.00 0.00 C ATOM 390 O ALA A 29 2.544 5.168 1.053 1.00 0.00 O ATOM 391 CB ALA A 29 2.254 4.659 4.244 1.00 0.00 C ATOM 0 H ALA A 29 -0.140 4.101 4.300 1.00 0.00 H new ATOM 0 HA ALA A 29 1.271 6.120 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.256 5.027 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.901 5.106 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.282 3.575 4.351 1.00 0.00 H new ATOM 397 N LYS A 30 1.466 3.241 1.484 1.00 0.00 N ATOM 398 CA LYS A 30 1.893 2.597 0.248 1.00 0.00 C ATOM 399 C LYS A 30 1.205 3.227 -0.959 1.00 0.00 C ATOM 400 O LYS A 30 1.863 3.729 -1.870 1.00 0.00 O ATOM 401 CB LYS A 30 1.588 1.098 0.298 1.00 0.00 C ATOM 402 CG LYS A 30 1.829 0.384 -1.021 1.00 0.00 C ATOM 403 CD LYS A 30 1.575 -1.109 -0.902 1.00 0.00 C ATOM 404 CE LYS A 30 1.081 -1.697 -2.214 1.00 0.00 C ATOM 405 NZ LYS A 30 -0.221 -1.108 -2.631 1.00 0.00 N ATOM 0 H LYS A 30 0.876 2.660 2.079 1.00 0.00 H new ATOM 0 HA LYS A 30 2.969 2.739 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.204 0.636 1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.548 0.957 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.178 0.805 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.855 0.555 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.493 -1.612 -0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.838 -1.293 -0.120 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.824 -1.523 -2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.974 -2.777 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.747 -1.798 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.778 -0.863 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.050 -0.250 -3.193 1.00 0.00 H new ATOM 419 N LYS A 31 -0.123 3.197 -0.959 1.00 0.00 N ATOM 420 CA LYS A 31 -0.902 3.767 -2.053 1.00 0.00 C ATOM 421 C LYS A 31 -0.576 5.245 -2.239 1.00 0.00 C ATOM 422 O LYS A 31 -0.721 5.790 -3.334 1.00 0.00 O ATOM 423 CB LYS A 31 -2.398 3.593 -1.785 1.00 0.00 C ATOM 424 CG LYS A 31 -3.251 3.645 -3.041 1.00 0.00 C ATOM 425 CD LYS A 31 -4.725 3.464 -2.723 1.00 0.00 C ATOM 426 CE LYS A 31 -5.408 4.799 -2.466 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.877 4.725 -2.701 1.00 0.00 N ATOM 0 H LYS A 31 -0.683 2.784 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.640 3.237 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.560 2.638 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.729 4.373 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.101 4.600 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.929 2.867 -3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.217 2.956 -3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.833 2.824 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.220 5.111 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.974 5.560 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.306 5.654 -2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.057 4.452 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.295 4.017 -2.064 1.00 0.00 H new ATOM 441 N TYR A 32 -0.135 5.889 -1.164 1.00 0.00 N ATOM 442 CA TYR A 32 0.211 7.305 -1.210 1.00 0.00 C ATOM 443 C TYR A 32 1.724 7.496 -1.238 1.00 0.00 C ATOM 444 O TYR A 32 2.222 8.615 -1.112 1.00 0.00 O ATOM 445 CB TYR A 32 -0.385 8.036 -0.005 1.00 0.00 C ATOM 446 CG TYR A 32 -1.837 8.415 -0.184 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.786 7.464 -0.537 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.261 9.726 0.000 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.114 7.806 -0.703 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.587 10.077 -0.162 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.510 9.114 -0.514 1.00 0.00 C ATOM 452 OH TYR A 32 -5.832 9.459 -0.676 1.00 0.00 O ATOM 0 H TYR A 32 -0.009 5.453 -0.250 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.206 7.726 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.290 7.403 0.877 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.196 8.938 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.480 6.439 -0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.541 10.483 0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.838 7.054 -0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.900 11.100 -0.014 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.943 10.418 -0.505 1.00 0.00 H new ATOM 462 N ARG A 33 2.450 6.395 -1.404 1.00 0.00 N ATOM 463 CA ARG A 33 3.906 6.440 -1.448 1.00 0.00 C ATOM 464 C ARG A 33 4.390 7.148 -2.711 1.00 0.00 C ATOM 465 O ARG A 33 4.896 8.269 -2.651 1.00 0.00 O ATOM 466 CB ARG A 33 4.483 5.024 -1.392 1.00 0.00 C ATOM 467 CG ARG A 33 6.002 4.987 -1.355 1.00 0.00 C ATOM 468 CD ARG A 33 6.511 3.821 -0.521 1.00 0.00 C ATOM 469 NE ARG A 33 7.824 3.363 -0.964 1.00 0.00 N ATOM 470 CZ ARG A 33 8.037 2.757 -2.127 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.028 2.537 -2.959 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.262 2.369 -2.460 1.00 0.00 N ATOM 0 H ARG A 33 2.053 5.461 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 33 4.254 7.002 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.094 4.517 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.135 4.464 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.390 4.906 -2.370 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.380 5.923 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.566 4.121 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.801 2.996 -0.580 1.00 0.00 H new ATOM 0 HE ARG A 33 8.622 3.517 -0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.085 2.833 -2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.195 2.072 -3.851 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.041 2.536 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.425 1.904 -3.353 1.00 0.00 H new ATOM 486 N VAL A 34 4.233 6.485 -3.852 1.00 0.00 N ATOM 487 CA VAL A 34 4.654 7.050 -5.129 1.00 0.00 C ATOM 488 C VAL A 34 4.026 8.421 -5.356 1.00 0.00 C ATOM 489 O VAL A 34 4.613 9.282 -6.011 1.00 0.00 O ATOM 490 CB VAL A 34 4.280 6.125 -6.302 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.769 6.039 -6.454 1.00 0.00 C ATOM 492 CG2 VAL A 34 4.926 6.612 -7.590 1.00 0.00 C ATOM 0 H VAL A 34 3.817 5.556 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 34 5.738 7.152 -5.089 1.00 0.00 H new ATOM 0 HB VAL A 34 4.657 5.125 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.524 5.381 -7.288 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.333 5.641 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.365 7.033 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.651 5.947 -8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.580 7.622 -7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.010 6.617 -7.474 1.00 0.00 H new ATOM 502 N GLU A 35 2.829 8.616 -4.810 1.00 0.00 N ATOM 503 CA GLU A 35 2.122 9.883 -4.955 1.00 0.00 C ATOM 504 C GLU A 35 2.895 11.016 -4.286 1.00 0.00 C ATOM 505 O GLU A 35 2.863 12.159 -4.745 1.00 0.00 O ATOM 506 CB GLU A 35 0.720 9.781 -4.350 1.00 0.00 C ATOM 507 CG GLU A 35 -0.021 8.513 -4.741 1.00 0.00 C ATOM 508 CD GLU A 35 0.069 8.219 -6.225 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.168 9.180 -7.016 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.039 7.026 -6.596 1.00 0.00 O ATOM 0 H GLU A 35 2.330 7.914 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 35 2.036 10.103 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.798 9.826 -3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.134 10.645 -4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.388 7.671 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.069 8.606 -4.456 1.00 0.00 H new ATOM 517 N TYR A 36 3.587 10.692 -3.200 1.00 0.00 N ATOM 518 CA TYR A 36 4.366 11.683 -2.467 1.00 0.00 C ATOM 519 C TYR A 36 5.822 11.677 -2.921 1.00 0.00 C ATOM 520 O TYR A 36 6.519 12.689 -2.830 1.00 0.00 O ATOM 521 CB TYR A 36 4.288 11.411 -0.963 1.00 0.00 C ATOM 522 CG TYR A 36 3.034 11.951 -0.314 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.777 11.615 -0.802 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.106 12.795 0.787 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.628 12.106 -0.212 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.962 13.290 1.384 1.00 0.00 C ATOM 527 CZ TYR A 36 0.726 12.943 0.880 1.00 0.00 C ATOM 528 OH TYR A 36 -0.416 13.433 1.471 1.00 0.00 O ATOM 0 H TYR A 36 3.625 9.751 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 36 3.944 12.666 -2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.340 10.336 -0.794 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.158 11.853 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.697 10.959 -1.656 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.073 13.069 1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.342 11.836 -0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.035 13.945 2.240 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.278 14.370 1.722 1.00 0.00 H new ATOM 538 N THR A 37 6.277 10.529 -3.414 1.00 0.00 N ATOM 539 CA THR A 37 7.650 10.389 -3.883 1.00 0.00 C ATOM 540 C THR A 37 7.933 11.336 -5.044 1.00 0.00 C ATOM 541 O THR A 37 9.049 11.834 -5.191 1.00 0.00 O ATOM 542 CB THR A 37 7.947 8.945 -4.329 1.00 0.00 C ATOM 543 OG1 THR A 37 7.373 8.018 -3.401 1.00 0.00 O ATOM 544 CG2 THR A 37 9.446 8.707 -4.431 1.00 0.00 C ATOM 0 H THR A 37 5.714 9.683 -3.499 1.00 0.00 H new ATOM 0 HA THR A 37 8.298 10.643 -3.044 1.00 0.00 H new ATOM 0 HB THR A 37 7.504 8.794 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.407 8.172 -3.340 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.631 7.680 -4.748 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.875 9.394 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.908 8.875 -3.458 1.00 0.00 H new ATOM 552 N GLN A 38 6.916 11.580 -5.864 1.00 0.00 N ATOM 553 CA GLN A 38 7.058 12.468 -7.012 1.00 0.00 C ATOM 554 C GLN A 38 6.595 13.880 -6.668 1.00 0.00 C ATOM 555 O GLN A 38 7.072 14.857 -7.244 1.00 0.00 O ATOM 556 CB GLN A 38 6.258 11.932 -8.200 1.00 0.00 C ATOM 557 CG GLN A 38 6.657 10.525 -8.617 1.00 0.00 C ATOM 558 CD GLN A 38 6.408 10.260 -10.089 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.899 10.986 -10.954 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.643 9.216 -10.382 1.00 0.00 N ATOM 0 H GLN A 38 5.986 11.176 -5.755 1.00 0.00 H new ATOM 0 HA GLN A 38 8.113 12.506 -7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.198 11.940 -7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.388 12.604 -9.048 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.714 10.371 -8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.099 9.802 -8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.257 8.641 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.442 8.989 -11.356 1.00 0.00 H new ATOM 569 N MET A 39 5.662 13.979 -5.727 1.00 0.00 N ATOM 570 CA MET A 39 5.136 15.272 -5.306 1.00 0.00 C ATOM 571 C MET A 39 6.157 16.026 -4.460 1.00 0.00 C ATOM 572 O MET A 39 6.267 17.249 -4.546 1.00 0.00 O ATOM 573 CB MET A 39 3.839 15.086 -4.516 1.00 0.00 C ATOM 574 CG MET A 39 2.588 15.144 -5.379 1.00 0.00 C ATOM 575 SD MET A 39 1.124 15.635 -4.448 1.00 0.00 S ATOM 576 CE MET A 39 0.717 14.099 -3.621 1.00 0.00 C ATOM 0 H MET A 39 5.255 13.180 -5.242 1.00 0.00 H new ATOM 0 HA MET A 39 4.928 15.860 -6.200 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.871 14.126 -4.001 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.777 15.857 -3.748 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.747 15.848 -6.196 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.416 14.166 -5.829 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.170 14.242 -3.004 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.522 13.326 -4.364 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.552 13.793 -2.990 1.00 0.00 H new ATOM 586 N TYR A 40 6.900 15.288 -3.642 1.00 0.00 N ATOM 587 CA TYR A 40 7.910 15.887 -2.778 1.00 0.00 C ATOM 588 C TYR A 40 9.276 15.252 -3.015 1.00 0.00 C ATOM 589 O TYR A 40 9.806 14.525 -2.175 1.00 0.00 O ATOM 590 CB TYR A 40 7.511 15.733 -1.309 1.00 0.00 C ATOM 591 CG TYR A 40 6.182 16.370 -0.972 1.00 0.00 C ATOM 592 CD1 TYR A 40 4.986 15.742 -1.299 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.122 17.599 -0.328 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.769 16.320 -0.993 1.00 0.00 C ATOM 595 CE2 TYR A 40 4.910 18.184 -0.017 1.00 0.00 C ATOM 596 CZ TYR A 40 3.736 17.541 -0.352 1.00 0.00 C ATOM 597 OH TYR A 40 2.527 18.121 -0.046 1.00 0.00 O ATOM 0 H TYR A 40 6.822 14.274 -3.559 1.00 0.00 H new ATOM 0 HA TYR A 40 7.976 16.948 -3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.469 14.672 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.286 16.175 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.008 14.786 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.039 18.106 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.849 15.819 -1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.881 19.139 0.486 1.00 0.00 H new ATOM 0 HH TYR A 40 2.680 18.978 0.405 1.00 0.00 H new ATOM 607 N PRO A 41 9.862 15.533 -4.189 1.00 0.00 N ATOM 608 CA PRO A 41 11.175 15.001 -4.565 1.00 0.00 C ATOM 609 C PRO A 41 12.306 15.611 -3.743 1.00 0.00 C ATOM 610 O PRO A 41 13.366 15.008 -3.584 1.00 0.00 O ATOM 611 CB PRO A 41 11.310 15.399 -6.037 1.00 0.00 C ATOM 612 CG PRO A 41 10.436 16.596 -6.188 1.00 0.00 C ATOM 613 CD PRO A 41 9.289 16.393 -5.238 1.00 0.00 C ATOM 0 HA PRO A 41 11.244 13.927 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.345 15.630 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.992 14.591 -6.696 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.981 17.510 -5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.081 16.693 -7.214 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.932 17.339 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.440 15.917 -5.729 1.00 0.00 H new ATOM 621 N GLY A 42 12.071 16.812 -3.222 1.00 0.00 N ATOM 622 CA GLY A 42 13.079 17.483 -2.422 1.00 0.00 C ATOM 623 C GLY A 42 13.176 16.918 -1.018 1.00 0.00 C ATOM 624 O GLY A 42 14.212 17.035 -0.364 1.00 0.00 O ATOM 0 H GLY A 42 11.201 17.332 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.048 17.394 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.846 18.546 -2.367 1.00 0.00 H new ATOM 628 N LYS A 43 12.093 16.305 -0.553 1.00 0.00 N ATOM 629 CA LYS A 43 12.058 15.720 0.783 1.00 0.00 C ATOM 630 C LYS A 43 12.593 14.292 0.765 1.00 0.00 C ATOM 631 O LYS A 43 12.624 13.644 -0.282 1.00 0.00 O ATOM 632 CB LYS A 43 10.630 15.735 1.331 1.00 0.00 C ATOM 633 CG LYS A 43 10.130 17.123 1.690 1.00 0.00 C ATOM 634 CD LYS A 43 8.726 17.078 2.269 1.00 0.00 C ATOM 635 CE LYS A 43 8.091 18.460 2.300 1.00 0.00 C ATOM 636 NZ LYS A 43 8.542 19.251 3.479 1.00 0.00 N ATOM 0 H LYS A 43 11.227 16.200 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 43 12.696 16.320 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.961 15.298 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.583 15.101 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.808 17.579 2.412 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.138 17.755 0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.108 16.406 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.761 16.670 3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.343 18.996 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.006 18.361 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.087 20.186 3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.279 18.752 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.575 19.368 3.444 1.00 0.00 H new ATOM 650 N ASP A 44 13.011 13.807 1.929 1.00 0.00 N ATOM 651 CA ASP A 44 13.542 12.454 2.047 1.00 0.00 C ATOM 652 C ASP A 44 12.439 11.468 2.420 1.00 0.00 C ATOM 653 O ASP A 44 11.392 11.859 2.933 1.00 0.00 O ATOM 654 CB ASP A 44 14.657 12.411 3.093 1.00 0.00 C ATOM 655 CG ASP A 44 15.853 13.255 2.700 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.541 12.891 1.722 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.102 14.279 3.369 1.00 0.00 O ATOM 0 H ASP A 44 12.992 14.331 2.804 1.00 0.00 H new ATOM 0 HA ASP A 44 13.951 12.164 1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.268 12.761 4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.976 11.379 3.237 1.00 0.00 H new ATOM 662 N ASN A 45 12.683 10.188 2.156 1.00 0.00 N ATOM 663 CA ASN A 45 11.710 9.146 2.463 1.00 0.00 C ATOM 664 C ASN A 45 11.285 9.212 3.927 1.00 0.00 C ATOM 665 O ASN A 45 10.167 8.832 4.277 1.00 0.00 O ATOM 666 CB ASN A 45 12.293 7.767 2.151 1.00 0.00 C ATOM 667 CG ASN A 45 13.740 7.639 2.587 1.00 0.00 C ATOM 668 OD1 ASN A 45 14.660 7.952 1.683 1.00 0.00 O flip ATOM 669 ND2 ASN A 45 14.026 7.263 3.724 1.00 0.00 N flip ATOM 0 H ASN A 45 13.545 9.848 1.731 1.00 0.00 H new ATOM 0 HA ASN A 45 10.830 9.310 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.697 7.002 2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.221 7.579 1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.285 7.033 4.386 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.004 7.182 4.003 1.00 0.00 H new ATOM 676 N ARG A 46 12.184 9.697 4.777 1.00 0.00 N ATOM 677 CA ARG A 46 11.903 9.812 6.203 1.00 0.00 C ATOM 678 C ARG A 46 10.808 10.844 6.460 1.00 0.00 C ATOM 679 O ARG A 46 10.030 10.715 7.404 1.00 0.00 O ATOM 680 CB ARG A 46 13.172 10.198 6.965 1.00 0.00 C ATOM 681 CG ARG A 46 12.985 10.250 8.472 1.00 0.00 C ATOM 682 CD ARG A 46 13.249 8.896 9.113 1.00 0.00 C ATOM 683 NE ARG A 46 12.575 8.760 10.402 1.00 0.00 N ATOM 684 CZ ARG A 46 12.912 7.857 11.315 1.00 0.00 C ATOM 685 NH1 ARG A 46 13.909 7.014 11.083 1.00 0.00 N ATOM 686 NH2 ARG A 46 12.252 7.795 12.464 1.00 0.00 N ATOM 0 H ARG A 46 13.113 10.017 4.503 1.00 0.00 H new ATOM 0 HA ARG A 46 11.555 8.842 6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.959 9.482 6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.513 11.173 6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.659 10.993 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.969 10.571 8.703 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.912 8.106 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.322 8.762 9.249 1.00 0.00 H new ATOM 0 HE ARG A 46 11.803 9.393 10.612 1.00 0.00 H new ATOM 0 HH11 ARG A 46 14.419 7.058 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.165 6.321 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.485 8.442 12.647 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.512 7.101 13.165 1.00 0.00 H new ATOM 700 N ALA A 47 10.757 11.867 5.613 1.00 0.00 N ATOM 701 CA ALA A 47 9.757 12.920 5.747 1.00 0.00 C ATOM 702 C ALA A 47 8.425 12.493 5.140 1.00 0.00 C ATOM 703 O ALA A 47 7.360 12.840 5.652 1.00 0.00 O ATOM 704 CB ALA A 47 10.251 14.202 5.093 1.00 0.00 C ATOM 0 H ALA A 47 11.396 11.989 4.827 1.00 0.00 H new ATOM 0 HA ALA A 47 9.599 13.104 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.495 14.980 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.174 14.524 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.438 14.022 4.034 1.00 0.00 H new ATOM 710 N ILE A 48 8.492 11.740 4.048 1.00 0.00 N ATOM 711 CA ILE A 48 7.291 11.266 3.372 1.00 0.00 C ATOM 712 C ILE A 48 6.346 10.576 4.350 1.00 0.00 C ATOM 713 O ILE A 48 5.158 10.891 4.409 1.00 0.00 O ATOM 714 CB ILE A 48 7.634 10.290 2.231 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.562 10.962 1.217 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.363 9.801 1.552 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.936 12.150 0.521 1.00 0.00 C ATOM 0 H ILE A 48 9.366 11.445 3.612 1.00 0.00 H new ATOM 0 HA ILE A 48 6.799 12.143 2.952 1.00 0.00 H new ATOM 0 HB ILE A 48 8.151 9.428 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.470 11.286 1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.861 10.228 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.622 9.112 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.735 9.288 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.820 10.652 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.650 12.577 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.044 11.828 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.662 12.902 1.261 1.00 0.00 H new ATOM 729 N SER A 49 6.884 9.633 5.118 1.00 0.00 N ATOM 730 CA SER A 49 6.089 8.896 6.093 1.00 0.00 C ATOM 731 C SER A 49 5.479 9.842 7.123 1.00 0.00 C ATOM 732 O SER A 49 4.287 9.769 7.421 1.00 0.00 O ATOM 733 CB SER A 49 6.951 7.845 6.796 1.00 0.00 C ATOM 734 OG SER A 49 8.310 8.245 6.837 1.00 0.00 O ATOM 0 H SER A 49 7.867 9.362 5.084 1.00 0.00 H new ATOM 0 HA SER A 49 5.280 8.395 5.561 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.584 7.688 7.810 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.865 6.892 6.275 1.00 0.00 H new ATOM 0 HG SER A 49 8.370 9.169 7.158 1.00 0.00 H new ATOM 740 N VAL A 50 6.307 10.730 7.665 1.00 0.00 N ATOM 741 CA VAL A 50 5.851 11.692 8.661 1.00 0.00 C ATOM 742 C VAL A 50 4.640 12.471 8.159 1.00 0.00 C ATOM 743 O VAL A 50 3.660 12.649 8.883 1.00 0.00 O ATOM 744 CB VAL A 50 6.967 12.684 9.036 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.470 13.683 10.069 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.191 11.940 9.548 1.00 0.00 C ATOM 0 H VAL A 50 7.297 10.803 7.431 1.00 0.00 H new ATOM 0 HA VAL A 50 5.571 11.122 9.546 1.00 0.00 H new ATOM 0 HB VAL A 50 7.253 13.236 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.273 14.376 10.321 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.626 14.239 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.154 13.151 10.967 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.970 12.657 9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.921 11.360 10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.560 11.269 8.772 1.00 0.00 H new ATOM 756 N ILE A 51 4.716 12.933 6.916 1.00 0.00 N ATOM 757 CA ILE A 51 3.625 13.692 6.316 1.00 0.00 C ATOM 758 C ILE A 51 2.429 12.795 6.020 1.00 0.00 C ATOM 759 O ILE A 51 1.278 13.228 6.102 1.00 0.00 O ATOM 760 CB ILE A 51 4.070 14.383 5.013 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.251 15.318 5.283 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.909 15.150 4.398 1.00 0.00 C ATOM 763 CD1 ILE A 51 5.979 15.749 4.029 1.00 0.00 C ATOM 0 H ILE A 51 5.521 12.795 6.305 1.00 0.00 H new ATOM 0 HA ILE A 51 3.334 14.453 7.040 1.00 0.00 H new ATOM 0 HB ILE A 51 4.391 13.619 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.891 16.203 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.955 14.818 5.949 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.239 15.633 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.095 14.460 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.560 15.907 5.100 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.804 16.410 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.370 14.871 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.289 16.277 3.371 1.00 0.00 H new ATOM 775 N LEU A 52 2.706 11.542 5.677 1.00 0.00 N ATOM 776 CA LEU A 52 1.652 10.581 5.371 1.00 0.00 C ATOM 777 C LEU A 52 0.788 10.310 6.598 1.00 0.00 C ATOM 778 O LEU A 52 -0.438 10.383 6.535 1.00 0.00 O ATOM 779 CB LEU A 52 2.260 9.273 4.862 1.00 0.00 C ATOM 780 CG LEU A 52 2.630 9.237 3.379 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.296 7.916 3.026 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.397 9.462 2.516 1.00 0.00 C ATOM 0 H LEU A 52 3.652 11.167 5.604 1.00 0.00 H new ATOM 0 HA LEU A 52 1.020 11.008 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.157 9.061 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.554 8.466 5.059 1.00 0.00 H new ATOM 0 HG LEU A 52 3.339 10.041 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.552 7.909 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.203 7.796 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.611 7.095 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.679 9.433 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.665 8.680 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.963 10.434 2.749 1.00 0.00 H new ATOM 794 N GLY A 53 1.438 10.000 7.716 1.00 0.00 N ATOM 795 CA GLY A 53 0.713 9.725 8.943 1.00 0.00 C ATOM 796 C GLY A 53 -0.270 10.824 9.294 1.00 0.00 C ATOM 797 O GLY A 53 -1.433 10.553 9.594 1.00 0.00 O ATOM 0 H GLY A 53 2.453 9.934 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.177 8.781 8.841 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.423 9.602 9.761 1.00 0.00 H new ATOM 801 N ASP A 54 0.198 12.067 9.259 1.00 0.00 N ATOM 802 CA ASP A 54 -0.648 13.211 9.577 1.00 0.00 C ATOM 803 C ASP A 54 -1.937 13.178 8.761 1.00 0.00 C ATOM 804 O ASP A 54 -3.024 13.410 9.290 1.00 0.00 O ATOM 805 CB ASP A 54 0.103 14.517 9.314 1.00 0.00 C ATOM 806 CG ASP A 54 -0.431 15.669 10.142 1.00 0.00 C ATOM 807 OD1 ASP A 54 -0.769 15.445 11.323 1.00 0.00 O ATOM 808 OD2 ASP A 54 -0.512 16.796 9.608 1.00 0.00 O ATOM 0 H ASP A 54 1.158 12.308 9.014 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.907 13.156 10.634 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.161 14.375 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.029 14.769 8.256 1.00 0.00 H new ATOM 813 N ARG A 55 -1.806 12.889 7.471 1.00 0.00 N ATOM 814 CA ARG A 55 -2.960 12.828 6.581 1.00 0.00 C ATOM 815 C ARG A 55 -3.938 11.748 7.033 1.00 0.00 C ATOM 816 O ARG A 55 -5.153 11.911 6.921 1.00 0.00 O ATOM 817 CB ARG A 55 -2.509 12.554 5.145 1.00 0.00 C ATOM 818 CG ARG A 55 -1.956 13.779 4.436 1.00 0.00 C ATOM 819 CD ARG A 55 -2.876 14.235 3.313 1.00 0.00 C ATOM 820 NE ARG A 55 -2.983 15.690 3.250 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.401 16.351 2.177 1.00 0.00 C ATOM 822 NH1 ARG A 55 -3.751 15.689 1.082 1.00 0.00 N ATOM 823 NH2 ARG A 55 -3.471 17.676 2.196 1.00 0.00 N ATOM 0 H ARG A 55 -0.913 12.693 7.018 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.467 13.792 6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.746 11.775 5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.354 12.166 4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.827 14.589 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.970 13.552 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.501 13.858 2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.867 13.805 3.459 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.722 16.228 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.699 14.670 1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.072 16.199 0.259 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.203 18.189 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.792 18.182 1.370 1.00 0.00 H new ATOM 837 N TRP A 56 -3.400 10.646 7.542 1.00 0.00 N ATOM 838 CA TRP A 56 -4.227 9.538 8.011 1.00 0.00 C ATOM 839 C TRP A 56 -5.001 9.929 9.265 1.00 0.00 C ATOM 840 O TRP A 56 -6.061 9.374 9.550 1.00 0.00 O ATOM 841 CB TRP A 56 -3.358 8.312 8.294 1.00 0.00 C ATOM 842 CG TRP A 56 -4.114 7.181 8.924 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.295 6.960 10.260 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.790 6.118 8.244 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.042 5.822 10.451 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.359 5.288 9.230 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.971 5.787 6.899 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.094 4.149 8.910 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.700 4.656 6.583 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.255 3.849 7.585 1.00 0.00 C ATOM 0 H TRP A 56 -2.396 10.495 7.641 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.944 9.294 7.227 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.914 7.967 7.360 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.537 8.601 8.950 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.908 7.587 11.050 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.316 5.438 11.355 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.549 6.404 6.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.522 3.525 9.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.844 4.390 5.546 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.821 2.973 7.306 1.00 0.00 H new ATOM 861 N LYS A 57 -4.464 10.889 10.011 1.00 0.00 N ATOM 862 CA LYS A 57 -5.105 11.356 11.235 1.00 0.00 C ATOM 863 C LYS A 57 -6.132 12.442 10.930 1.00 0.00 C ATOM 864 O LYS A 57 -7.137 12.574 11.629 1.00 0.00 O ATOM 865 CB LYS A 57 -4.056 11.891 12.212 1.00 0.00 C ATOM 866 CG LYS A 57 -3.054 10.842 12.663 1.00 0.00 C ATOM 867 CD LYS A 57 -1.746 11.474 13.107 1.00 0.00 C ATOM 868 CE LYS A 57 -1.877 12.119 14.479 1.00 0.00 C ATOM 869 NZ LYS A 57 -0.560 12.236 15.164 1.00 0.00 N ATOM 0 H LYS A 57 -3.586 11.359 9.789 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.620 10.511 11.692 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.520 12.715 11.741 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.561 12.299 13.087 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.477 10.263 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.864 10.145 11.847 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.964 10.715 13.134 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.437 12.224 12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.321 13.109 14.374 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.556 11.529 15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.691 12.680 16.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.147 11.289 15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.080 12.820 14.589 1.00 0.00 H new ATOM 883 N LYS A 58 -5.874 13.217 9.882 1.00 0.00 N ATOM 884 CA LYS A 58 -6.777 14.290 9.483 1.00 0.00 C ATOM 885 C LYS A 58 -7.966 13.739 8.702 1.00 0.00 C ATOM 886 O LYS A 58 -9.066 14.286 8.761 1.00 0.00 O ATOM 887 CB LYS A 58 -6.031 15.323 8.635 1.00 0.00 C ATOM 888 CG LYS A 58 -5.887 16.675 9.312 1.00 0.00 C ATOM 889 CD LYS A 58 -7.241 17.302 9.599 1.00 0.00 C ATOM 890 CE LYS A 58 -7.096 18.656 10.275 1.00 0.00 C ATOM 891 NZ LYS A 58 -7.240 19.778 9.306 1.00 0.00 N ATOM 0 H LYS A 58 -5.046 13.122 9.293 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.150 14.772 10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.040 14.938 8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.558 15.454 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.334 16.559 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.304 17.341 8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.795 17.417 8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.824 16.637 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.848 18.753 11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.122 18.717 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.135 20.684 9.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.507 19.700 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.179 19.735 8.862 1.00 0.00 H new ATOM 905 N MET A 59 -7.736 12.652 7.972 1.00 0.00 N ATOM 906 CA MET A 59 -8.789 12.025 7.182 1.00 0.00 C ATOM 907 C MET A 59 -9.990 11.677 8.056 1.00 0.00 C ATOM 908 O MET A 59 -9.951 11.840 9.276 1.00 0.00 O ATOM 909 CB MET A 59 -8.260 10.765 6.495 1.00 0.00 C ATOM 910 CG MET A 59 -7.708 11.018 5.102 1.00 0.00 C ATOM 911 SD MET A 59 -7.499 9.501 4.151 1.00 0.00 S ATOM 912 CE MET A 59 -6.496 8.532 5.275 1.00 0.00 C ATOM 0 H MET A 59 -6.830 12.187 7.911 1.00 0.00 H new ATOM 0 HA MET A 59 -9.110 12.736 6.421 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.477 10.326 7.113 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.064 10.032 6.431 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.379 11.689 4.566 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.747 11.527 5.183 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.326 7.543 4.850 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.539 9.030 5.430 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.012 8.433 6.230 1.00 0.00 H new ATOM 922 N LYS A 60 -11.056 11.196 7.425 1.00 0.00 N ATOM 923 CA LYS A 60 -12.268 10.823 8.144 1.00 0.00 C ATOM 924 C LYS A 60 -12.330 9.314 8.360 1.00 0.00 C ATOM 925 O LYS A 60 -11.360 8.602 8.108 1.00 0.00 O ATOM 926 CB LYS A 60 -13.506 11.291 7.376 1.00 0.00 C ATOM 927 CG LYS A 60 -13.400 12.716 6.861 1.00 0.00 C ATOM 928 CD LYS A 60 -14.771 13.338 6.656 1.00 0.00 C ATOM 929 CE LYS A 60 -14.677 14.843 6.460 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.022 15.476 6.372 1.00 0.00 N ATOM 0 H LYS A 60 -11.105 11.055 6.416 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.247 11.311 9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.675 10.621 6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.378 11.212 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.828 13.318 7.568 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.851 12.724 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.250 12.886 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.403 13.121 7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.122 15.283 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.115 15.056 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -15.915 16.502 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.543 15.075 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.549 15.294 7.250 1.00 0.00 H new ATOM 944 N ASN A 61 -13.479 8.835 8.826 1.00 0.00 N ATOM 945 CA ASN A 61 -13.667 7.410 9.074 1.00 0.00 C ATOM 946 C ASN A 61 -13.768 6.638 7.762 1.00 0.00 C ATOM 947 O ASN A 61 -13.088 5.630 7.570 1.00 0.00 O ATOM 948 CB ASN A 61 -14.926 7.179 9.913 1.00 0.00 C ATOM 949 CG ASN A 61 -14.726 7.549 11.370 1.00 0.00 C ATOM 950 OD1 ASN A 61 -14.500 8.713 11.702 1.00 0.00 O ATOM 951 ND2 ASN A 61 -14.807 6.556 12.248 1.00 0.00 N ATOM 0 H ASN A 61 -14.293 9.412 9.039 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.800 7.045 9.624 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.747 7.767 9.501 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.218 6.131 9.844 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.680 6.743 13.243 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.996 5.606 11.928 1.00 0.00 H new ATOM 958 N GLU A 62 -14.621 7.119 6.863 1.00 0.00 N ATOM 959 CA GLU A 62 -14.810 6.473 5.569 1.00 0.00 C ATOM 960 C GLU A 62 -13.558 6.602 4.708 1.00 0.00 C ATOM 961 O GLU A 62 -13.216 5.694 3.952 1.00 0.00 O ATOM 962 CB GLU A 62 -16.009 7.084 4.840 1.00 0.00 C ATOM 963 CG GLU A 62 -17.255 7.192 5.703 1.00 0.00 C ATOM 964 CD GLU A 62 -18.523 7.329 4.882 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.654 6.609 3.870 1.00 0.00 O ATOM 966 OE2 GLU A 62 -19.383 8.156 5.250 1.00 0.00 O ATOM 0 H GLU A 62 -15.191 7.952 7.006 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.001 5.414 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.738 8.077 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.237 6.479 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.331 6.309 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.160 8.053 6.365 1.00 0.00 H new ATOM 973 N GLU A 63 -12.878 7.738 4.829 1.00 0.00 N ATOM 974 CA GLU A 63 -11.664 7.987 4.060 1.00 0.00 C ATOM 975 C GLU A 63 -10.608 6.925 4.352 1.00 0.00 C ATOM 976 O GLU A 63 -9.717 6.681 3.539 1.00 0.00 O ATOM 977 CB GLU A 63 -11.108 9.377 4.378 1.00 0.00 C ATOM 978 CG GLU A 63 -12.120 10.495 4.193 1.00 0.00 C ATOM 979 CD GLU A 63 -12.404 10.788 2.732 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.471 10.668 1.910 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.559 11.137 2.411 1.00 0.00 O ATOM 0 H GLU A 63 -13.147 8.500 5.452 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.919 7.940 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.750 9.389 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.246 9.569 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.050 10.225 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.749 11.399 4.676 1.00 0.00 H new ATOM 988 N ARG A 64 -10.715 6.299 5.519 1.00 0.00 N ATOM 989 CA ARG A 64 -9.769 5.265 5.921 1.00 0.00 C ATOM 990 C ARG A 64 -10.383 3.876 5.768 1.00 0.00 C ATOM 991 O ARG A 64 -9.671 2.885 5.611 1.00 0.00 O ATOM 992 CB ARG A 64 -9.327 5.482 7.369 1.00 0.00 C ATOM 993 CG ARG A 64 -8.499 6.741 7.571 1.00 0.00 C ATOM 994 CD ARG A 64 -8.204 6.983 9.043 1.00 0.00 C ATOM 995 NE ARG A 64 -9.188 7.867 9.661 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.018 8.443 10.846 1.00 0.00 C ATOM 997 NH1 ARG A 64 -7.907 8.229 11.537 1.00 0.00 N ATOM 998 NH2 ARG A 64 -9.960 9.235 11.341 1.00 0.00 N ATOM 0 H ARG A 64 -11.447 6.490 6.203 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.898 5.332 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.210 5.532 8.006 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.747 4.619 7.696 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.562 6.654 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.032 7.598 7.160 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.191 6.030 9.571 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.210 7.418 9.147 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.054 8.053 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.180 7.621 11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.779 8.672 12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.816 9.402 10.812 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.829 9.677 12.251 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.710 3.814 5.816 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.420 2.547 5.685 1.00 0.00 C ATOM 1014 C ARG A 65 -11.962 1.793 4.440 1.00 0.00 C ATOM 1015 O ARG A 65 -11.819 0.571 4.461 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.930 2.789 5.621 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.758 1.570 5.991 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.247 1.875 5.952 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.049 0.755 6.437 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.367 0.807 6.593 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.028 1.919 6.302 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -19.026 -0.254 7.039 1.00 0.00 N ATOM 0 H ARG A 65 -12.315 4.625 5.944 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.192 1.939 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.187 3.609 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.196 3.106 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.534 0.755 5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.481 1.230 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.452 2.757 6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.541 2.115 4.930 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.570 -0.115 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.524 2.736 5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.040 1.957 6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.521 -1.111 7.263 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -20.038 -0.213 7.158 1.00 0.00 H new ATOM 1036 N MET A 66 -11.733 2.530 3.359 1.00 0.00 N ATOM 1037 CA MET A 66 -11.290 1.931 2.105 1.00 0.00 C ATOM 1038 C MET A 66 -10.076 1.035 2.330 1.00 0.00 C ATOM 1039 O MET A 66 -9.926 0.001 1.679 1.00 0.00 O ATOM 1040 CB MET A 66 -10.952 3.020 1.085 1.00 0.00 C ATOM 1041 CG MET A 66 -9.926 4.024 1.585 1.00 0.00 C ATOM 1042 SD MET A 66 -9.957 5.570 0.658 1.00 0.00 S ATOM 1043 CE MET A 66 -11.597 6.171 1.058 1.00 0.00 C ATOM 0 H MET A 66 -11.847 3.543 3.325 1.00 0.00 H new ATOM 0 HA MET A 66 -12.104 1.320 1.716 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.576 2.551 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.866 3.550 0.816 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.112 4.233 2.639 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.931 3.585 1.518 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.622 7.256 0.956 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.323 5.726 0.378 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.845 5.897 2.084 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.212 1.438 3.255 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.010 0.673 3.564 1.00 0.00 C ATOM 1055 C TYR A 67 -8.254 -0.277 4.732 1.00 0.00 C ATOM 1056 O TYR A 67 -7.610 -1.321 4.845 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.850 1.615 3.892 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.739 2.790 2.946 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.209 2.632 1.671 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.162 4.057 3.328 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.104 3.703 0.804 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.062 5.133 2.467 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.533 4.951 1.206 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.431 6.020 0.346 1.00 0.00 O ATOM 0 H TYR A 67 -9.322 2.291 3.804 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.751 0.081 2.686 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.972 1.988 4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.917 1.051 3.869 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.874 1.656 1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.576 4.203 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.688 3.564 -0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.396 6.111 2.780 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.585 6.488 0.505 1.00 0.00 H new ATOM 1074 N THR A 68 -9.190 0.092 5.601 1.00 0.00 N ATOM 1075 CA THR A 68 -9.520 -0.725 6.762 1.00 0.00 C ATOM 1076 C THR A 68 -9.969 -2.120 6.343 1.00 0.00 C ATOM 1077 O THR A 68 -9.296 -3.111 6.626 1.00 0.00 O ATOM 1078 CB THR A 68 -10.629 -0.074 7.610 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.296 1.290 7.889 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.826 -0.830 8.915 1.00 0.00 C ATOM 0 H THR A 68 -9.733 0.952 5.522 1.00 0.00 H new ATOM 0 HA THR A 68 -8.613 -0.803 7.362 1.00 0.00 H new ATOM 0 HB THR A 68 -11.559 -0.111 7.042 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.112 1.760 7.049 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.614 -0.352 9.497 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.108 -1.860 8.699 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.897 -0.820 9.485 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.110 -2.190 5.666 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.649 -3.465 5.206 1.00 0.00 C ATOM 1090 C LEU A 69 -10.717 -4.116 4.189 1.00 0.00 C ATOM 1091 O LEU A 69 -10.430 -5.309 4.271 1.00 0.00 O ATOM 1092 CB LEU A 69 -13.034 -3.262 4.588 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.209 -3.246 5.566 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -13.998 -2.187 6.637 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -15.517 -3.004 4.826 1.00 0.00 C ATOM 0 H LEU A 69 -11.679 -1.379 5.424 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.735 -4.127 6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.031 -2.320 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.204 -4.054 3.859 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.264 -4.220 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.844 -2.190 7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.083 -2.404 7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.915 -1.207 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.342 -2.996 5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.472 -2.044 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.675 -3.799 4.097 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.247 -3.322 3.232 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.345 -3.821 2.200 1.00 0.00 C ATOM 1109 C GLU A 70 -8.158 -4.550 2.822 1.00 0.00 C ATOM 1110 O GLU A 70 -7.913 -5.721 2.531 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.849 -2.669 1.324 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.952 -3.116 0.182 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.659 -4.044 -0.786 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.833 -3.775 -1.118 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.039 -5.041 -1.213 1.00 0.00 O ATOM 0 H GLU A 70 -10.476 -2.331 3.150 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.898 -4.526 1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.709 -2.139 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.304 -1.959 1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.593 -2.240 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.076 -3.621 0.589 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.423 -3.849 3.679 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.262 -4.429 4.343 1.00 0.00 C ATOM 1124 C ALA A 71 -6.651 -5.662 5.151 1.00 0.00 C ATOM 1125 O ALA A 71 -5.854 -6.585 5.317 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.597 -3.396 5.241 1.00 0.00 C ATOM 0 H ALA A 71 -7.611 -2.878 3.930 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.552 -4.738 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.732 -3.843 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.275 -2.545 4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.307 -3.059 5.996 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.882 -5.672 5.652 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.378 -6.792 6.442 1.00 0.00 C ATOM 1134 C LYS A 72 -8.378 -8.079 5.622 1.00 0.00 C ATOM 1135 O LYS A 72 -7.771 -9.075 6.014 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.791 -6.499 6.950 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.116 -7.175 8.270 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.431 -6.675 8.845 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.622 -7.240 8.086 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.842 -8.681 8.391 1.00 0.00 N ATOM 0 H LYS A 72 -8.555 -4.916 5.524 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.712 -6.925 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.911 -5.422 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.512 -6.822 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.169 -8.254 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.312 -6.989 8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.501 -6.957 9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.456 -5.586 8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.518 -6.674 8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.462 -7.116 7.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.768 -8.976 8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.094 -9.249 7.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.818 -8.826 9.421 1.00 0.00 H new