USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 ASN :FLIP amide:sc= -1.69! C(o=-3.5!,f=-1.7!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 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= -0.643 USER MOD Single : A 37 THR OG1 : rot 60:sc= 0.303 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) 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+ -175:sc= 0 (180deg=-0.0139) USER MOD Single : A 45 ASN : amide:sc= -0.285 X(o=-0.28,f=-0.22) USER MOD Single : A 49 SER OG : rot 76:sc= 0.104 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 174:sc= -2.61! (180deg=-2.87!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.3) USER MOD Single : A 66 MET CE :methyl -105:sc= -0.464 (180deg=-4.95!) USER MOD Single : A 67 TYR OH : rot 111:sc= 0.0224 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 72 LYS NZ :NH3+ -157:sc= -0.124 (180deg=-0.632) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -1.121 -3.637 8.237 1.00 0.00 N ATOM 288 CA ASN A 23 -2.241 -2.936 8.854 1.00 0.00 C ATOM 289 C ASN A 23 -2.873 -1.952 7.875 1.00 0.00 C ATOM 290 O ASN A 23 -2.479 -1.878 6.711 1.00 0.00 O ATOM 291 CB ASN A 23 -1.776 -2.195 10.110 1.00 0.00 C ATOM 292 CG ASN A 23 -0.449 -1.488 9.906 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.507 -0.236 9.469 1.00 0.00 O flip ATOM 294 ND2 ASN A 23 0.615 -2.063 10.139 1.00 0.00 N flip ATOM 0 HA ASN A 23 -2.991 -3.676 9.133 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.533 -1.466 10.399 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.685 -2.903 10.934 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.611 -3.026 10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.500 -1.576 9.997 1.00 0.00 H new ATOM 301 N ALA A 24 -3.857 -1.197 8.355 1.00 0.00 N ATOM 302 CA ALA A 24 -4.542 -0.216 7.523 1.00 0.00 C ATOM 303 C ALA A 24 -3.591 0.891 7.083 1.00 0.00 C ATOM 304 O ALA A 24 -3.451 1.166 5.891 1.00 0.00 O ATOM 305 CB ALA A 24 -5.730 0.372 8.270 1.00 0.00 C ATOM 0 H ALA A 24 -4.197 -1.247 9.315 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.904 -0.724 6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.232 1.103 7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.428 -0.425 8.528 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.382 0.859 9.181 1.00 0.00 H new ATOM 311 N PHE A 25 -2.940 1.525 8.052 1.00 0.00 N ATOM 312 CA PHE A 25 -2.002 2.605 7.765 1.00 0.00 C ATOM 313 C PHE A 25 -0.978 2.171 6.721 1.00 0.00 C ATOM 314 O PHE A 25 -0.551 2.969 5.886 1.00 0.00 O ATOM 315 CB PHE A 25 -1.288 3.043 9.045 1.00 0.00 C ATOM 316 CG PHE A 25 -0.280 4.134 8.825 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.684 5.402 8.439 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.073 3.892 9.005 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.241 6.409 8.236 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.002 4.895 8.804 1.00 0.00 C ATOM 321 CZ PHE A 25 1.586 6.154 8.418 1.00 0.00 C ATOM 0 H PHE A 25 -3.044 1.310 9.044 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.567 3.448 7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.030 3.385 9.767 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.788 2.181 9.486 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.735 5.606 8.295 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.405 2.909 9.306 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.087 7.393 7.936 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.053 4.694 8.949 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.311 6.938 8.259 1.00 0.00 H new ATOM 331 N MET A 26 -0.587 0.902 6.775 1.00 0.00 N ATOM 332 CA MET A 26 0.387 0.362 5.833 1.00 0.00 C ATOM 333 C MET A 26 -0.108 0.503 4.397 1.00 0.00 C ATOM 334 O MET A 26 0.632 0.939 3.515 1.00 0.00 O ATOM 335 CB MET A 26 0.669 -1.109 6.146 1.00 0.00 C ATOM 336 CG MET A 26 1.844 -1.315 7.089 1.00 0.00 C ATOM 337 SD MET A 26 3.017 -2.541 6.478 1.00 0.00 S ATOM 338 CE MET A 26 4.536 -1.959 7.228 1.00 0.00 C ATOM 0 H MET A 26 -0.929 0.229 7.460 1.00 0.00 H new ATOM 0 HA MET A 26 1.310 0.932 5.937 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.222 -1.556 6.586 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.864 -1.639 5.214 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.359 -0.366 7.234 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.472 -1.628 8.064 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.358 -2.616 6.943 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.746 -0.946 6.885 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.430 -1.960 8.313 1.00 0.00 H new ATOM 348 N LEU A 27 -1.363 0.131 4.170 1.00 0.00 N ATOM 349 CA LEU A 27 -1.957 0.216 2.841 1.00 0.00 C ATOM 350 C LEU A 27 -2.027 1.664 2.367 1.00 0.00 C ATOM 351 O LEU A 27 -1.996 1.938 1.167 1.00 0.00 O ATOM 352 CB LEU A 27 -3.358 -0.399 2.846 1.00 0.00 C ATOM 353 CG LEU A 27 -3.683 -1.339 1.685 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.699 -2.497 1.644 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.111 -1.853 1.798 1.00 0.00 C ATOM 0 H LEU A 27 -1.989 -0.232 4.889 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.324 -0.343 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.489 -0.948 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.088 0.410 2.847 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.592 -0.780 0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.946 -3.155 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.688 -2.111 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.756 -3.056 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.325 -2.521 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.229 -2.396 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.803 -1.011 1.776 1.00 0.00 H new ATOM 367 N PHE A 28 -2.119 2.588 3.317 1.00 0.00 N ATOM 368 CA PHE A 28 -2.192 4.009 2.997 1.00 0.00 C ATOM 369 C PHE A 28 -0.820 4.549 2.606 1.00 0.00 C ATOM 370 O PHE A 28 -0.624 5.025 1.488 1.00 0.00 O ATOM 371 CB PHE A 28 -2.740 4.795 4.190 1.00 0.00 C ATOM 372 CG PHE A 28 -2.578 6.282 4.055 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.433 6.912 4.516 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.569 7.050 3.465 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.281 8.280 4.393 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.422 8.418 3.339 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.276 9.034 3.803 1.00 0.00 C ATOM 0 H PHE A 28 -2.145 2.379 4.315 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.867 4.131 2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.798 4.563 4.313 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.234 4.463 5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.651 6.327 4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.467 6.574 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.385 8.759 4.758 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.202 9.005 2.878 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.158 10.103 3.705 1.00 0.00 H new ATOM 387 N ALA A 29 0.127 4.472 3.535 1.00 0.00 N ATOM 388 CA ALA A 29 1.481 4.952 3.288 1.00 0.00 C ATOM 389 C ALA A 29 2.082 4.288 2.053 1.00 0.00 C ATOM 390 O ALA A 29 2.970 4.844 1.407 1.00 0.00 O ATOM 391 CB ALA A 29 2.360 4.701 4.504 1.00 0.00 C ATOM 0 H ALA A 29 -0.019 4.082 4.466 1.00 0.00 H new ATOM 0 HA ALA A 29 1.432 6.025 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.368 5.064 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.948 5.227 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.394 3.632 4.714 1.00 0.00 H new ATOM 397 N LYS A 30 1.592 3.095 1.731 1.00 0.00 N ATOM 398 CA LYS A 30 2.079 2.355 0.574 1.00 0.00 C ATOM 399 C LYS A 30 1.346 2.782 -0.694 1.00 0.00 C ATOM 400 O LYS A 30 1.911 2.761 -1.788 1.00 0.00 O ATOM 401 CB LYS A 30 1.905 0.851 0.794 1.00 0.00 C ATOM 402 CG LYS A 30 2.962 0.241 1.699 1.00 0.00 C ATOM 403 CD LYS A 30 2.942 -1.277 1.636 1.00 0.00 C ATOM 404 CE LYS A 30 3.518 -1.788 0.325 1.00 0.00 C ATOM 405 NZ LYS A 30 4.202 -3.100 0.494 1.00 0.00 N ATOM 0 H LYS A 30 0.857 2.620 2.256 1.00 0.00 H new ATOM 0 HA LYS A 30 3.139 2.578 0.452 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.921 0.667 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.930 0.346 -0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.947 0.605 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.794 0.566 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.514 -1.684 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.918 -1.633 1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.718 -1.887 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.225 -1.058 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.581 -3.414 -0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.981 -3.000 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.522 -3.803 0.847 1.00 0.00 H new ATOM 419 N LYS A 31 0.085 3.171 -0.540 1.00 0.00 N ATOM 420 CA LYS A 31 -0.726 3.607 -1.671 1.00 0.00 C ATOM 421 C LYS A 31 -0.259 4.965 -2.183 1.00 0.00 C ATOM 422 O LYS A 31 0.021 5.129 -3.371 1.00 0.00 O ATOM 423 CB LYS A 31 -2.201 3.680 -1.269 1.00 0.00 C ATOM 424 CG LYS A 31 -3.116 4.125 -2.396 1.00 0.00 C ATOM 425 CD LYS A 31 -3.415 2.985 -3.355 1.00 0.00 C ATOM 426 CE LYS A 31 -2.420 2.947 -4.504 1.00 0.00 C ATOM 427 NZ LYS A 31 -2.979 2.256 -5.699 1.00 0.00 N ATOM 0 H LYS A 31 -0.398 3.193 0.358 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.610 2.877 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.522 2.700 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.307 4.370 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.049 4.506 -1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.651 4.947 -2.940 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.386 2.038 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.425 3.096 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.136 3.965 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.512 2.437 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.270 2.251 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.226 1.277 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.831 2.757 -6.023 1.00 0.00 H new ATOM 441 N TYR A 32 -0.177 5.936 -1.281 1.00 0.00 N ATOM 442 CA TYR A 32 0.255 7.281 -1.642 1.00 0.00 C ATOM 443 C TYR A 32 1.771 7.416 -1.528 1.00 0.00 C ATOM 444 O TYR A 32 2.317 8.515 -1.629 1.00 0.00 O ATOM 445 CB TYR A 32 -0.429 8.317 -0.748 1.00 0.00 C ATOM 446 CG TYR A 32 -1.867 8.588 -1.127 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.810 7.567 -1.126 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.284 9.863 -1.486 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.126 7.809 -1.472 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.597 10.115 -1.832 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.514 9.085 -1.823 1.00 0.00 C ATOM 452 OH TYR A 32 -5.823 9.332 -2.169 1.00 0.00 O ATOM 0 H TYR A 32 -0.404 5.817 -0.294 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.031 7.460 -2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.393 7.973 0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.132 9.250 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.509 6.567 -0.850 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.569 10.672 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.846 7.004 -1.468 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.904 11.113 -2.108 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.930 10.281 -2.388 1.00 0.00 H new ATOM 462 N ARG A 33 2.444 6.290 -1.318 1.00 0.00 N ATOM 463 CA ARG A 33 3.896 6.280 -1.190 1.00 0.00 C ATOM 464 C ARG A 33 4.551 7.001 -2.365 1.00 0.00 C ATOM 465 O ARG A 33 5.206 8.028 -2.190 1.00 0.00 O ATOM 466 CB ARG A 33 4.413 4.843 -1.107 1.00 0.00 C ATOM 467 CG ARG A 33 5.609 4.678 -0.183 1.00 0.00 C ATOM 468 CD ARG A 33 6.915 4.968 -0.905 1.00 0.00 C ATOM 469 NE ARG A 33 8.077 4.570 -0.115 1.00 0.00 N ATOM 470 CZ ARG A 33 8.501 3.315 -0.012 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.862 2.342 -0.646 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.567 3.032 0.726 1.00 0.00 N ATOM 0 H ARG A 33 2.007 5.372 -1.233 1.00 0.00 H new ATOM 0 HA ARG A 33 4.158 6.806 -0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.607 4.195 -0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.688 4.506 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.507 5.349 0.670 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.628 3.662 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.927 4.440 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.977 6.033 -1.129 1.00 0.00 H new ATOM 0 HE ARG A 33 8.591 5.295 0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.043 2.556 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.190 1.379 -0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.062 3.778 1.215 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.892 2.068 0.804 1.00 0.00 H new ATOM 486 N VAL A 34 4.369 6.454 -3.563 1.00 0.00 N ATOM 487 CA VAL A 34 4.941 7.044 -4.767 1.00 0.00 C ATOM 488 C VAL A 34 4.361 8.430 -5.029 1.00 0.00 C ATOM 489 O VAL A 34 5.053 9.319 -5.523 1.00 0.00 O ATOM 490 CB VAL A 34 4.693 6.155 -6.000 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.202 5.970 -6.235 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.365 6.749 -7.229 1.00 0.00 C ATOM 0 H VAL A 34 3.830 5.603 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 34 6.015 7.128 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 34 5.131 5.175 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.047 5.339 -7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.752 5.497 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.737 6.942 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.179 6.108 -8.091 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.959 7.742 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.439 6.823 -7.057 1.00 0.00 H new ATOM 502 N GLU A 35 3.086 8.605 -4.694 1.00 0.00 N ATOM 503 CA GLU A 35 2.413 9.883 -4.893 1.00 0.00 C ATOM 504 C GLU A 35 3.216 11.023 -4.274 1.00 0.00 C ATOM 505 O GLU A 35 3.232 12.140 -4.793 1.00 0.00 O ATOM 506 CB GLU A 35 1.009 9.845 -4.286 1.00 0.00 C ATOM 507 CG GLU A 35 0.092 8.824 -4.938 1.00 0.00 C ATOM 508 CD GLU A 35 0.178 8.844 -6.452 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.117 9.900 -7.049 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.541 7.803 -7.038 1.00 0.00 O ATOM 0 H GLU A 35 2.499 7.878 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 35 2.333 10.059 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.088 9.623 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.558 10.834 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.348 7.828 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.936 9.019 -4.634 1.00 0.00 H new ATOM 517 N TYR A 36 3.882 10.734 -3.161 1.00 0.00 N ATOM 518 CA TYR A 36 4.685 11.735 -2.469 1.00 0.00 C ATOM 519 C TYR A 36 6.146 11.653 -2.899 1.00 0.00 C ATOM 520 O TYR A 36 6.876 12.644 -2.854 1.00 0.00 O ATOM 521 CB TYR A 36 4.576 11.548 -0.955 1.00 0.00 C ATOM 522 CG TYR A 36 3.284 12.074 -0.371 1.00 0.00 C ATOM 523 CD1 TYR A 36 2.056 11.572 -0.785 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.291 13.073 0.595 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.874 12.050 -0.255 1.00 0.00 C ATOM 526 CE2 TYR A 36 2.113 13.556 1.131 1.00 0.00 C ATOM 527 CZ TYR A 36 0.907 13.042 0.703 1.00 0.00 C ATOM 528 OH TYR A 36 -0.269 13.521 1.234 1.00 0.00 O ATOM 0 H TYR A 36 3.881 9.815 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 36 4.301 12.720 -2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.665 10.487 -0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.414 12.052 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.026 10.795 -1.534 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.233 13.479 0.932 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.072 11.649 -0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.136 14.332 1.881 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.982 13.453 0.565 1.00 0.00 H new ATOM 538 N THR A 37 6.568 10.464 -3.316 1.00 0.00 N ATOM 539 CA THR A 37 7.942 10.250 -3.754 1.00 0.00 C ATOM 540 C THR A 37 8.265 11.094 -4.981 1.00 0.00 C ATOM 541 O THR A 37 9.406 11.512 -5.174 1.00 0.00 O ATOM 542 CB THR A 37 8.203 8.768 -4.082 1.00 0.00 C ATOM 543 OG1 THR A 37 7.656 7.935 -3.053 1.00 0.00 O ATOM 544 CG2 THR A 37 9.694 8.499 -4.220 1.00 0.00 C ATOM 0 H THR A 37 5.978 9.633 -3.360 1.00 0.00 H new ATOM 0 HA THR A 37 8.587 10.551 -2.929 1.00 0.00 H new ATOM 0 HB THR A 37 7.719 8.538 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.690 8.088 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.854 7.446 -4.452 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.102 9.113 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.196 8.745 -3.284 1.00 0.00 H new ATOM 552 N GLN A 38 7.254 11.341 -5.807 1.00 0.00 N ATOM 553 CA GLN A 38 7.432 12.137 -7.016 1.00 0.00 C ATOM 554 C GLN A 38 7.020 13.586 -6.781 1.00 0.00 C ATOM 555 O GLN A 38 7.559 14.503 -7.399 1.00 0.00 O ATOM 556 CB GLN A 38 6.617 11.543 -8.167 1.00 0.00 C ATOM 557 CG GLN A 38 6.945 10.087 -8.457 1.00 0.00 C ATOM 558 CD GLN A 38 6.560 9.671 -9.863 1.00 0.00 C ATOM 559 OE1 GLN A 38 7.369 9.743 -10.788 1.00 0.00 O ATOM 560 NE2 GLN A 38 5.318 9.232 -10.031 1.00 0.00 N ATOM 0 H GLN A 38 6.303 11.002 -5.662 1.00 0.00 H new ATOM 0 HA GLN A 38 8.489 12.118 -7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.556 11.628 -7.932 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.792 12.132 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.013 9.924 -8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.426 9.452 -7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.680 9.189 -9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.002 8.938 -10.955 1.00 0.00 H new ATOM 569 N MET A 39 6.061 13.785 -5.882 1.00 0.00 N ATOM 570 CA MET A 39 5.577 15.123 -5.564 1.00 0.00 C ATOM 571 C MET A 39 6.598 15.885 -4.725 1.00 0.00 C ATOM 572 O MET A 39 6.737 17.102 -4.853 1.00 0.00 O ATOM 573 CB MET A 39 4.244 15.043 -4.818 1.00 0.00 C ATOM 574 CG MET A 39 3.033 15.041 -5.736 1.00 0.00 C ATOM 575 SD MET A 39 1.554 15.691 -4.935 1.00 0.00 S ATOM 576 CE MET A 39 0.931 14.218 -4.128 1.00 0.00 C ATOM 0 H MET A 39 5.604 13.036 -5.361 1.00 0.00 H new ATOM 0 HA MET A 39 5.429 15.661 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.231 14.138 -4.211 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.169 15.888 -4.133 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.253 15.636 -6.622 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.840 14.023 -6.075 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.015 14.459 -3.588 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.721 13.454 -4.877 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.677 13.844 -3.427 1.00 0.00 H new ATOM 586 N TYR A 40 7.310 15.162 -3.868 1.00 0.00 N ATOM 587 CA TYR A 40 8.317 15.771 -3.006 1.00 0.00 C ATOM 588 C TYR A 40 9.662 15.069 -3.159 1.00 0.00 C ATOM 589 O TYR A 40 10.133 14.371 -2.261 1.00 0.00 O ATOM 590 CB TYR A 40 7.866 15.721 -1.546 1.00 0.00 C ATOM 591 CG TYR A 40 6.624 16.538 -1.266 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.377 16.117 -1.710 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.699 17.732 -0.560 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.240 16.860 -1.458 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.568 18.481 -0.302 1.00 0.00 C ATOM 596 CZ TYR A 40 4.341 18.041 -0.753 1.00 0.00 C ATOM 597 OH TYR A 40 3.212 18.786 -0.500 1.00 0.00 O ATOM 0 H TYR A 40 7.209 14.154 -3.751 1.00 0.00 H new ATOM 0 HA TYR A 40 8.435 16.812 -3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.678 14.684 -1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.677 16.079 -0.912 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.295 15.192 -2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.658 18.080 -0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.278 16.518 -1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.644 19.406 0.250 1.00 0.00 H new ATOM 0 HH TYR A 40 3.456 19.588 0.008 1.00 0.00 H new ATOM 607 N PRO A 41 10.297 15.257 -4.326 1.00 0.00 N ATOM 608 CA PRO A 41 11.598 14.651 -4.626 1.00 0.00 C ATOM 609 C PRO A 41 12.726 15.262 -3.801 1.00 0.00 C ATOM 610 O PRO A 41 13.709 14.594 -3.485 1.00 0.00 O ATOM 611 CB PRO A 41 11.797 14.956 -6.112 1.00 0.00 C ATOM 612 CG PRO A 41 10.980 16.176 -6.361 1.00 0.00 C ATOM 613 CD PRO A 41 9.794 16.076 -5.442 1.00 0.00 C ATOM 0 HA PRO A 41 11.617 13.587 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.848 15.129 -6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.467 14.124 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.556 17.079 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.663 16.227 -7.403 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.464 17.058 -5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.943 15.606 -5.934 1.00 0.00 H new ATOM 621 N GLY A 42 12.576 16.537 -3.454 1.00 0.00 N ATOM 622 CA GLY A 42 13.590 17.216 -2.669 1.00 0.00 C ATOM 623 C GLY A 42 13.579 16.789 -1.215 1.00 0.00 C ATOM 624 O GLY A 42 14.596 16.877 -0.526 1.00 0.00 O ATOM 0 H GLY A 42 11.771 17.111 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.572 17.014 -3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.432 18.293 -2.730 1.00 0.00 H new ATOM 628 N LYS A 43 12.426 16.326 -0.744 1.00 0.00 N ATOM 629 CA LYS A 43 12.285 15.884 0.638 1.00 0.00 C ATOM 630 C LYS A 43 12.792 14.455 0.806 1.00 0.00 C ATOM 631 O LYS A 43 12.820 13.680 -0.150 1.00 0.00 O ATOM 632 CB LYS A 43 10.822 15.973 1.077 1.00 0.00 C ATOM 633 CG LYS A 43 10.380 17.380 1.440 1.00 0.00 C ATOM 634 CD LYS A 43 9.037 17.376 2.152 1.00 0.00 C ATOM 635 CE LYS A 43 8.646 18.773 2.611 1.00 0.00 C ATOM 636 NZ LYS A 43 9.437 19.209 3.795 1.00 0.00 N ATOM 0 H LYS A 43 11.575 16.247 -1.300 1.00 0.00 H new ATOM 0 HA LYS A 43 12.887 16.541 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.187 15.598 0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.669 15.320 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.131 17.845 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.312 17.986 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.271 16.984 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.082 16.708 3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.796 19.479 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.584 18.791 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.084 20.128 4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.342 18.505 4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.439 19.299 3.530 1.00 0.00 H new ATOM 650 N ASP A 44 13.189 14.113 2.027 1.00 0.00 N ATOM 651 CA ASP A 44 13.692 12.776 2.321 1.00 0.00 C ATOM 652 C ASP A 44 12.549 11.834 2.685 1.00 0.00 C ATOM 653 O ASP A 44 11.456 12.275 3.037 1.00 0.00 O ATOM 654 CB ASP A 44 14.709 12.830 3.462 1.00 0.00 C ATOM 655 CG ASP A 44 15.982 13.553 3.070 1.00 0.00 C ATOM 656 OD1 ASP A 44 15.899 14.745 2.704 1.00 0.00 O ATOM 657 OD2 ASP A 44 17.061 12.928 3.130 1.00 0.00 O ATOM 0 H ASP A 44 13.172 14.743 2.829 1.00 0.00 H new ATOM 0 HA ASP A 44 14.183 12.394 1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.261 13.330 4.321 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.953 11.815 3.775 1.00 0.00 H new ATOM 662 N ASN A 45 12.810 10.533 2.596 1.00 0.00 N ATOM 663 CA ASN A 45 11.803 9.528 2.915 1.00 0.00 C ATOM 664 C ASN A 45 11.194 9.785 4.290 1.00 0.00 C ATOM 665 O ASN A 45 9.991 9.616 4.489 1.00 0.00 O ATOM 666 CB ASN A 45 12.418 8.128 2.870 1.00 0.00 C ATOM 667 CG ASN A 45 13.292 7.919 1.649 1.00 0.00 C ATOM 668 OD1 ASN A 45 12.793 7.733 0.539 1.00 0.00 O ATOM 669 ND2 ASN A 45 14.604 7.949 1.849 1.00 0.00 N ATOM 0 H ASN A 45 13.710 10.151 2.306 1.00 0.00 H new ATOM 0 HA ASN A 45 11.011 9.594 2.169 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.011 7.966 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.621 7.384 2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.243 7.815 1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.973 8.106 2.787 1.00 0.00 H new ATOM 676 N ARG A 46 12.034 10.194 5.236 1.00 0.00 N ATOM 677 CA ARG A 46 11.579 10.473 6.592 1.00 0.00 C ATOM 678 C ARG A 46 10.447 11.497 6.586 1.00 0.00 C ATOM 679 O ARG A 46 9.480 11.372 7.337 1.00 0.00 O ATOM 680 CB ARG A 46 12.740 10.985 7.447 1.00 0.00 C ATOM 681 CG ARG A 46 12.330 11.381 8.856 1.00 0.00 C ATOM 682 CD ARG A 46 13.540 11.724 9.712 1.00 0.00 C ATOM 683 NE ARG A 46 13.157 12.362 10.969 1.00 0.00 N ATOM 684 CZ ARG A 46 12.731 11.691 12.033 1.00 0.00 C ATOM 685 NH1 ARG A 46 12.633 10.370 11.993 1.00 0.00 N ATOM 686 NH2 ARG A 46 12.401 12.342 13.141 1.00 0.00 N ATOM 0 H ARG A 46 13.033 10.339 5.088 1.00 0.00 H new ATOM 0 HA ARG A 46 11.203 9.544 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.506 10.212 7.504 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.192 11.846 6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.658 12.238 8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.776 10.564 9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 46 14.104 10.815 9.923 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.202 12.388 9.155 1.00 0.00 H new ATOM 0 HE ARG A 46 13.220 13.378 11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.885 9.865 11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.305 9.858 12.812 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.474 13.359 13.176 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.074 11.826 13.958 1.00 0.00 H new ATOM 700 N ALA A 47 10.577 12.509 5.735 1.00 0.00 N ATOM 701 CA ALA A 47 9.565 13.554 5.631 1.00 0.00 C ATOM 702 C ALA A 47 8.283 13.015 5.006 1.00 0.00 C ATOM 703 O ALA A 47 7.183 13.297 5.483 1.00 0.00 O ATOM 704 CB ALA A 47 10.098 14.725 4.819 1.00 0.00 C ATOM 0 H ALA A 47 11.372 12.628 5.108 1.00 0.00 H new ATOM 0 HA ALA A 47 9.330 13.901 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.332 15.498 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 47 10.983 15.134 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.361 14.384 3.818 1.00 0.00 H new ATOM 710 N ILE A 48 8.431 12.239 3.938 1.00 0.00 N ATOM 711 CA ILE A 48 7.283 11.661 3.249 1.00 0.00 C ATOM 712 C ILE A 48 6.399 10.880 4.215 1.00 0.00 C ATOM 713 O ILE A 48 5.179 11.049 4.231 1.00 0.00 O ATOM 714 CB ILE A 48 7.724 10.728 2.106 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.632 11.477 1.128 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.510 10.164 1.384 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.940 12.615 0.412 1.00 0.00 C ATOM 0 H ILE A 48 9.334 11.996 3.531 1.00 0.00 H new ATOM 0 HA ILE A 48 6.715 12.492 2.830 1.00 0.00 H new ATOM 0 HB ILE A 48 8.287 9.898 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.492 11.869 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.016 10.773 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.838 9.507 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.898 9.599 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.922 10.982 0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.643 13.100 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.097 12.226 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.580 13.340 1.143 1.00 0.00 H new ATOM 729 N SER A 49 7.022 10.027 5.022 1.00 0.00 N ATOM 730 CA SER A 49 6.291 9.218 5.990 1.00 0.00 C ATOM 731 C SER A 49 5.560 10.103 6.996 1.00 0.00 C ATOM 732 O SER A 49 4.390 9.877 7.304 1.00 0.00 O ATOM 733 CB SER A 49 7.246 8.275 6.724 1.00 0.00 C ATOM 734 OG SER A 49 8.002 7.502 5.808 1.00 0.00 O ATOM 0 H SER A 49 8.031 9.878 5.025 1.00 0.00 H new ATOM 0 HA SER A 49 5.553 8.627 5.448 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.918 8.854 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.678 7.615 7.380 1.00 0.00 H new ATOM 0 HG SER A 49 8.710 8.056 5.419 1.00 0.00 H new ATOM 740 N VAL A 50 6.260 11.113 7.504 1.00 0.00 N ATOM 741 CA VAL A 50 5.679 12.034 8.474 1.00 0.00 C ATOM 742 C VAL A 50 4.479 12.767 7.885 1.00 0.00 C ATOM 743 O VAL A 50 3.411 12.821 8.495 1.00 0.00 O ATOM 744 CB VAL A 50 6.714 13.068 8.955 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.082 14.036 9.944 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.916 12.370 9.574 1.00 0.00 C ATOM 0 H VAL A 50 7.230 11.314 7.260 1.00 0.00 H new ATOM 0 HA VAL A 50 5.353 11.435 9.324 1.00 0.00 H new ATOM 0 HB VAL A 50 7.058 13.640 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.828 14.759 10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.256 14.560 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.708 13.483 10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.637 13.116 9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.591 11.772 10.425 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.382 11.722 8.832 1.00 0.00 H new ATOM 756 N ILE A 51 4.663 13.331 6.696 1.00 0.00 N ATOM 757 CA ILE A 51 3.595 14.060 6.024 1.00 0.00 C ATOM 758 C ILE A 51 2.434 13.136 5.672 1.00 0.00 C ATOM 759 O ILE A 51 1.289 13.574 5.558 1.00 0.00 O ATOM 760 CB ILE A 51 4.101 14.742 4.739 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.257 15.691 5.060 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.967 15.492 4.056 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.062 16.095 3.845 1.00 0.00 C ATOM 0 H ILE A 51 5.541 13.297 6.179 1.00 0.00 H new ATOM 0 HA ILE A 51 3.249 14.824 6.720 1.00 0.00 H new ATOM 0 HB ILE A 51 4.465 13.974 4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.859 16.587 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.919 15.213 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.340 15.969 3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.172 14.793 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.575 16.253 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.864 16.768 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.489 15.207 3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.413 16.602 3.131 1.00 0.00 H new ATOM 775 N LEU A 52 2.737 11.853 5.503 1.00 0.00 N ATOM 776 CA LEU A 52 1.719 10.864 5.167 1.00 0.00 C ATOM 777 C LEU A 52 0.796 10.607 6.354 1.00 0.00 C ATOM 778 O LEU A 52 -0.423 10.546 6.203 1.00 0.00 O ATOM 779 CB LEU A 52 2.377 9.556 4.724 1.00 0.00 C ATOM 780 CG LEU A 52 2.714 9.444 3.237 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.465 8.151 2.956 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.448 9.521 2.396 1.00 0.00 C ATOM 0 H LEU A 52 3.680 11.474 5.593 1.00 0.00 H new ATOM 0 HA LEU A 52 1.121 11.259 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.296 9.423 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.715 8.732 4.989 1.00 0.00 H new ATOM 0 HG LEU A 52 3.358 10.281 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.696 8.088 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.391 8.136 3.531 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.846 7.301 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.707 9.440 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.779 8.705 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.950 10.474 2.575 1.00 0.00 H new ATOM 794 N GLY A 53 1.388 10.459 7.535 1.00 0.00 N ATOM 795 CA GLY A 53 0.604 10.213 8.732 1.00 0.00 C ATOM 796 C GLY A 53 -0.453 11.275 8.961 1.00 0.00 C ATOM 797 O GLY A 53 -1.615 10.958 9.219 1.00 0.00 O ATOM 0 H GLY A 53 2.396 10.505 7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.124 9.238 8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.268 10.173 9.596 1.00 0.00 H new ATOM 801 N ASP A 54 -0.051 12.537 8.869 1.00 0.00 N ATOM 802 CA ASP A 54 -0.972 13.650 9.069 1.00 0.00 C ATOM 803 C ASP A 54 -2.211 13.494 8.192 1.00 0.00 C ATOM 804 O ASP A 54 -3.336 13.701 8.648 1.00 0.00 O ATOM 805 CB ASP A 54 -0.278 14.977 8.761 1.00 0.00 C ATOM 806 CG ASP A 54 -0.871 16.136 9.538 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.136 15.966 10.747 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.070 17.212 8.937 1.00 0.00 O ATOM 0 H ASP A 54 0.907 12.816 8.657 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.285 13.647 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.783 14.891 8.996 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.353 15.183 7.693 1.00 0.00 H new ATOM 813 N ARG A 55 -1.996 13.130 6.932 1.00 0.00 N ATOM 814 CA ARG A 55 -3.095 12.949 5.991 1.00 0.00 C ATOM 815 C ARG A 55 -4.065 11.881 6.487 1.00 0.00 C ATOM 816 O ARG A 55 -5.276 11.989 6.291 1.00 0.00 O ATOM 817 CB ARG A 55 -2.555 12.562 4.613 1.00 0.00 C ATOM 818 CG ARG A 55 -1.912 13.718 3.865 1.00 0.00 C ATOM 819 CD ARG A 55 -2.752 14.146 2.672 1.00 0.00 C ATOM 820 NE ARG A 55 -2.328 15.439 2.140 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.992 16.098 1.196 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.104 15.589 0.685 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.543 17.270 0.764 1.00 0.00 N ATOM 0 H ARG A 55 -1.071 12.955 6.539 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.632 13.894 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.822 11.764 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.371 12.160 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.782 14.563 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.918 13.425 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.681 13.391 1.889 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.800 14.201 2.967 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.476 15.859 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.452 14.689 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.612 16.097 -0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.688 17.665 1.157 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.053 17.776 0.039 1.00 0.00 H new ATOM 837 N TRP A 56 -3.526 10.851 7.129 1.00 0.00 N ATOM 838 CA TRP A 56 -4.344 9.763 7.653 1.00 0.00 C ATOM 839 C TRP A 56 -5.223 10.247 8.801 1.00 0.00 C ATOM 840 O TRP A 56 -6.270 9.664 9.083 1.00 0.00 O ATOM 841 CB TRP A 56 -3.456 8.611 8.125 1.00 0.00 C ATOM 842 CG TRP A 56 -4.221 7.500 8.779 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.524 7.384 10.105 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.777 6.349 8.135 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.236 6.230 10.325 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.405 5.577 9.133 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.809 5.895 6.814 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -6.054 4.379 8.848 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.453 4.706 6.533 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.069 3.959 7.546 1.00 0.00 C ATOM 0 H TRP A 56 -2.526 10.746 7.299 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.990 9.408 6.850 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.907 8.212 7.272 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.717 8.996 8.827 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.245 8.095 10.869 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.583 5.911 11.230 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.338 6.464 6.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.529 3.801 9.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.482 4.346 5.515 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.565 3.034 7.294 1.00 0.00 H new ATOM 861 N LYS A 57 -4.791 11.317 9.461 1.00 0.00 N ATOM 862 CA LYS A 57 -5.540 11.880 10.578 1.00 0.00 C ATOM 863 C LYS A 57 -6.587 12.874 10.085 1.00 0.00 C ATOM 864 O LYS A 57 -7.659 13.007 10.675 1.00 0.00 O ATOM 865 CB LYS A 57 -4.589 12.570 11.559 1.00 0.00 C ATOM 866 CG LYS A 57 -3.356 11.747 11.891 1.00 0.00 C ATOM 867 CD LYS A 57 -2.694 12.226 13.172 1.00 0.00 C ATOM 868 CE LYS A 57 -2.232 13.670 13.055 1.00 0.00 C ATOM 869 NZ LYS A 57 -1.396 14.081 14.217 1.00 0.00 N ATOM 0 H LYS A 57 -3.926 11.811 9.241 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.051 11.064 11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.275 13.525 11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.128 12.790 12.481 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.635 10.698 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.644 11.808 11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.395 12.133 14.002 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.841 11.588 13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.661 13.795 12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.101 14.324 12.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.101 15.071 14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.948 13.986 15.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.554 13.473 14.271 1.00 0.00 H new ATOM 883 N LYS A 58 -6.269 13.571 8.999 1.00 0.00 N ATOM 884 CA LYS A 58 -7.183 14.551 8.424 1.00 0.00 C ATOM 885 C LYS A 58 -8.364 13.862 7.746 1.00 0.00 C ATOM 886 O LYS A 58 -9.479 14.382 7.743 1.00 0.00 O ATOM 887 CB LYS A 58 -6.447 15.435 7.415 1.00 0.00 C ATOM 888 CG LYS A 58 -6.281 16.873 7.873 1.00 0.00 C ATOM 889 CD LYS A 58 -4.840 17.178 8.245 1.00 0.00 C ATOM 890 CE LYS A 58 -4.729 18.478 9.028 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.359 19.623 8.151 1.00 0.00 N ATOM 0 H LYS A 58 -5.385 13.475 8.499 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.564 15.174 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.463 15.008 7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.991 15.424 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.603 17.548 7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.926 17.059 8.732 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.435 16.359 8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.236 17.244 7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.679 18.689 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.982 18.366 9.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.293 20.490 8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.440 19.434 7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.085 19.746 7.416 1.00 0.00 H new ATOM 905 N MET A 59 -8.110 12.690 7.174 1.00 0.00 N ATOM 906 CA MET A 59 -9.153 11.929 6.496 1.00 0.00 C ATOM 907 C MET A 59 -10.323 11.653 7.435 1.00 0.00 C ATOM 908 O MET A 59 -10.276 11.991 8.618 1.00 0.00 O ATOM 909 CB MET A 59 -8.589 10.611 5.963 1.00 0.00 C ATOM 910 CG MET A 59 -8.025 10.716 4.556 1.00 0.00 C ATOM 911 SD MET A 59 -7.672 9.104 3.827 1.00 0.00 S ATOM 912 CE MET A 59 -6.576 8.408 5.061 1.00 0.00 C ATOM 0 H MET A 59 -7.191 12.247 7.166 1.00 0.00 H new ATOM 0 HA MET A 59 -9.516 12.525 5.658 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.805 10.263 6.635 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.376 9.857 5.975 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.735 11.249 3.923 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.110 11.308 4.579 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.354 7.371 4.808 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.649 8.981 5.089 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.057 8.448 6.038 1.00 0.00 H new ATOM 922 N LYS A 60 -11.372 11.037 6.902 1.00 0.00 N ATOM 923 CA LYS A 60 -12.554 10.713 7.692 1.00 0.00 C ATOM 924 C LYS A 60 -12.550 9.244 8.100 1.00 0.00 C ATOM 925 O LYS A 60 -11.654 8.488 7.726 1.00 0.00 O ATOM 926 CB LYS A 60 -13.824 11.031 6.900 1.00 0.00 C ATOM 927 CG LYS A 60 -13.902 12.473 6.427 1.00 0.00 C ATOM 928 CD LYS A 60 -14.643 13.347 7.424 1.00 0.00 C ATOM 929 CE LYS A 60 -16.143 13.099 7.377 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.787 13.808 6.237 1.00 0.00 N ATOM 0 H LYS A 60 -11.428 10.752 5.924 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.535 11.322 8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.877 10.370 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.693 10.814 7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.895 12.863 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.406 12.513 5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.272 13.149 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.440 14.396 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.332 12.029 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.595 13.429 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.809 13.614 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.629 14.832 6.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.374 13.475 5.343 1.00 0.00 H new ATOM 944 N ASN A 61 -13.560 8.845 8.867 1.00 0.00 N ATOM 945 CA ASN A 61 -13.673 7.465 9.324 1.00 0.00 C ATOM 946 C ASN A 61 -13.926 6.522 8.152 1.00 0.00 C ATOM 947 O ASN A 61 -13.490 5.371 8.163 1.00 0.00 O ATOM 948 CB ASN A 61 -14.802 7.336 10.349 1.00 0.00 C ATOM 949 CG ASN A 61 -16.173 7.487 9.720 1.00 0.00 C ATOM 950 OD1 ASN A 61 -16.688 6.560 9.095 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.773 8.661 9.883 1.00 0.00 N ATOM 0 H ASN A 61 -14.311 9.458 9.185 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.730 7.187 9.794 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.735 6.365 10.839 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.675 8.093 11.123 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.697 8.821 9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.309 9.402 10.409 1.00 0.00 H new ATOM 958 N GLU A 62 -14.632 7.019 7.141 1.00 0.00 N ATOM 959 CA GLU A 62 -14.942 6.221 5.961 1.00 0.00 C ATOM 960 C GLU A 62 -13.762 6.197 4.994 1.00 0.00 C ATOM 961 O GLU A 62 -13.478 5.175 4.371 1.00 0.00 O ATOM 962 CB GLU A 62 -16.182 6.774 5.256 1.00 0.00 C ATOM 963 CG GLU A 62 -16.003 8.187 4.728 1.00 0.00 C ATOM 964 CD GLU A 62 -17.272 8.746 4.115 1.00 0.00 C ATOM 965 OE1 GLU A 62 -17.671 8.264 3.034 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.867 9.666 4.715 1.00 0.00 O ATOM 0 H GLU A 62 -15.000 7.970 7.116 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.143 5.200 6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.442 6.116 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.022 6.759 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.680 8.837 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.209 8.194 3.981 1.00 0.00 H new ATOM 973 N GLU A 63 -13.079 7.332 4.875 1.00 0.00 N ATOM 974 CA GLU A 63 -11.931 7.441 3.983 1.00 0.00 C ATOM 975 C GLU A 63 -10.865 6.409 4.339 1.00 0.00 C ATOM 976 O GLU A 63 -10.055 6.022 3.496 1.00 0.00 O ATOM 977 CB GLU A 63 -11.336 8.849 4.052 1.00 0.00 C ATOM 978 CG GLU A 63 -12.275 9.933 3.550 1.00 0.00 C ATOM 979 CD GLU A 63 -11.610 11.293 3.475 1.00 0.00 C ATOM 980 OE1 GLU A 63 -10.693 11.460 2.643 1.00 0.00 O ATOM 981 OE2 GLU A 63 -12.005 12.191 4.249 1.00 0.00 O ATOM 0 H GLU A 63 -13.301 8.187 5.384 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.274 7.248 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.061 9.068 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.418 8.875 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.645 9.659 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.141 9.992 4.209 1.00 0.00 H new ATOM 988 N ARG A 64 -10.872 5.967 5.592 1.00 0.00 N ATOM 989 CA ARG A 64 -9.906 4.982 6.061 1.00 0.00 C ATOM 990 C ARG A 64 -10.475 3.570 5.956 1.00 0.00 C ATOM 991 O ARG A 64 -9.729 2.594 5.870 1.00 0.00 O ATOM 992 CB ARG A 64 -9.506 5.275 7.508 1.00 0.00 C ATOM 993 CG ARG A 64 -8.884 6.648 7.701 1.00 0.00 C ATOM 994 CD ARG A 64 -8.384 6.838 9.125 1.00 0.00 C ATOM 995 NE ARG A 64 -9.417 7.387 9.999 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.716 8.680 10.061 1.00 0.00 C ATOM 997 NH1 ARG A 64 -9.065 9.551 9.303 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.669 9.103 10.882 1.00 0.00 N ATOM 0 H ARG A 64 -11.537 6.276 6.301 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.022 5.048 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.387 5.192 8.144 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.800 4.515 7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.056 6.775 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.619 7.418 7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.045 5.881 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.521 7.504 9.120 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.937 6.743 10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.333 9.229 8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.296 10.543 9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.172 8.435 11.466 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.898 10.096 10.929 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.800 3.469 5.963 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.469 2.177 5.870 1.00 0.00 C ATOM 1014 C ARG A 65 -11.949 1.380 4.677 1.00 0.00 C ATOM 1015 O ARG A 65 -11.774 0.165 4.759 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.982 2.370 5.747 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.790 1.198 6.280 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.273 1.365 5.987 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.997 0.101 6.091 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.322 0.011 6.091 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.064 1.105 5.991 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.908 -1.176 6.190 1.00 0.00 N ATOM 0 H ARG A 65 -12.432 4.267 6.032 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.253 1.618 6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.270 3.273 6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.236 2.529 4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.431 0.272 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.638 1.109 7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.701 2.086 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.401 1.775 4.985 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.455 -0.760 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.617 2.019 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.081 1.033 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.341 -2.020 6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.926 -1.244 6.190 1.00 0.00 H new ATOM 1036 N MET A 66 -11.704 2.074 3.570 1.00 0.00 N ATOM 1037 CA MET A 66 -11.203 1.430 2.361 1.00 0.00 C ATOM 1038 C MET A 66 -9.968 0.588 2.665 1.00 0.00 C ATOM 1039 O MET A 66 -9.732 -0.437 2.026 1.00 0.00 O ATOM 1040 CB MET A 66 -10.870 2.480 1.299 1.00 0.00 C ATOM 1041 CG MET A 66 -9.829 3.491 1.750 1.00 0.00 C ATOM 1042 SD MET A 66 -9.696 4.898 0.631 1.00 0.00 S ATOM 1043 CE MET A 66 -11.299 5.665 0.859 1.00 0.00 C ATOM 0 H MET A 66 -11.844 3.081 3.485 1.00 0.00 H new ATOM 0 HA MET A 66 -11.984 0.772 1.979 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.510 1.976 0.402 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.783 3.009 1.024 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.084 3.848 2.748 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.859 2.999 1.825 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.928 5.458 -0.007 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.771 5.262 1.755 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.175 6.742 0.968 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.184 1.027 3.643 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.972 0.315 4.029 1.00 0.00 C ATOM 1055 C TYR A 67 -8.237 -0.608 5.215 1.00 0.00 C ATOM 1056 O TYR A 67 -7.673 -1.699 5.306 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.862 1.308 4.380 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.699 2.417 3.365 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.086 2.180 2.141 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.158 3.701 3.631 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.934 3.191 1.211 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.012 4.717 2.707 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.399 4.457 1.499 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.251 5.467 0.575 1.00 0.00 O ATOM 0 H TYR A 67 -9.366 1.873 4.183 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.653 -0.293 3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.074 1.747 5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.919 0.769 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.722 1.189 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.637 3.908 4.576 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.454 2.991 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.376 5.709 2.929 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.129 5.716 0.219 1.00 0.00 H new ATOM 1074 N THR A 68 -9.102 -0.163 6.121 1.00 0.00 N ATOM 1075 CA THR A 68 -9.443 -0.948 7.302 1.00 0.00 C ATOM 1076 C THR A 68 -9.999 -2.313 6.913 1.00 0.00 C ATOM 1077 O THR A 68 -9.520 -3.346 7.382 1.00 0.00 O ATOM 1078 CB THR A 68 -10.474 -0.218 8.182 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.360 1.198 8.000 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.273 -0.563 9.650 1.00 0.00 C ATOM 0 H THR A 68 -9.579 0.736 6.060 1.00 0.00 H new ATOM 0 HA THR A 68 -8.522 -1.082 7.869 1.00 0.00 H new ATOM 0 HB THR A 68 -11.470 -0.543 7.881 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.021 1.654 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.013 -0.036 10.252 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.390 -1.638 9.791 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.272 -0.263 9.960 1.00 0.00 H new ATOM 1088 N LEU A 69 -11.011 -2.311 6.053 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.632 -3.551 5.600 1.00 0.00 C ATOM 1090 C LEU A 69 -10.691 -4.330 4.687 1.00 0.00 C ATOM 1091 O LEU A 69 -10.590 -5.552 4.782 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.940 -3.250 4.866 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.184 -3.104 5.743 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.558 -4.441 6.365 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -13.956 -2.057 6.822 1.00 0.00 C ATOM 0 H LEU A 69 -11.419 -1.465 5.655 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.846 -4.163 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.811 -2.329 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.120 -4.047 4.145 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.012 -2.774 5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.445 -4.318 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.764 -5.164 5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.732 -4.800 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.852 -1.967 7.436 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -13.115 -2.357 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.737 -1.096 6.356 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.002 -3.612 3.805 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.068 -4.237 2.876 1.00 0.00 C ATOM 1109 C GLU A 70 -7.978 -4.995 3.629 1.00 0.00 C ATOM 1110 O GLU A 70 -7.824 -6.206 3.467 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.435 -3.182 1.967 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.541 -3.766 0.886 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.277 -4.737 -0.017 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -8.969 -4.275 -0.948 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.159 -5.960 0.207 1.00 0.00 O ATOM 0 H GLU A 70 -10.073 -2.599 3.715 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.624 -4.947 2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.226 -2.599 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.851 -2.493 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.129 -2.956 0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.699 -4.277 1.353 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.224 -4.274 4.452 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.150 -4.878 5.230 1.00 0.00 C ATOM 1124 C ALA A 71 -6.651 -6.089 6.010 1.00 0.00 C ATOM 1125 O ALA A 71 -5.935 -7.078 6.169 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.543 -3.852 6.177 1.00 0.00 C ATOM 0 H ALA A 71 -7.337 -3.271 4.597 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.380 -5.218 4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.742 -4.317 6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.140 -3.019 5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.312 -3.485 6.857 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.884 -6.005 6.496 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.482 -7.093 7.260 1.00 0.00 C ATOM 1134 C LYS A 72 -8.575 -8.362 6.417 1.00 0.00 C ATOM 1135 O LYS A 72 -8.024 -9.400 6.780 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.875 -6.693 7.753 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.474 -7.675 8.745 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.813 -7.188 9.273 1.00 0.00 C ATOM 1139 CE LYS A 72 -11.642 -6.028 10.242 1.00 0.00 C ATOM 1140 NZ LYS A 72 -10.789 -6.398 11.405 1.00 0.00 N ATOM 0 H LYS A 72 -8.490 -5.193 6.374 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.843 -7.294 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.818 -5.709 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.542 -6.602 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.602 -8.645 8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.785 -7.819 9.577 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.443 -6.877 8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.328 -8.008 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.197 -5.181 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.620 -5.705 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.000 -5.767 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.984 -7.382 11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.787 -6.304 11.144 1.00 0.00 H new