USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 439 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 ASN : amide:sc= 0.297 K(o=0.3,f=-4.8!) 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+ -177:sc= 0 (180deg=-0.00522) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 0:sc= -0.228 USER MOD Single : A 37 THR OG1 : rot 42:sc= 0.401 USER MOD Single : A 38 GLN : amide:sc= -0.385 X(o=-0.39,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+ 137:sc= -0.349 (180deg=-2.1!) USER MOD Single : A 45 ASN : amide:sc= -0.3 K(o=-0.3,f=-0.92) USER MOD Single : A 49 SER OG : rot 79:sc= 0.432 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 166:sc= -2.63 (180deg=-3.02!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.6! K(o=-2.6!,f=-3.4) USER MOD Single : A 66 MET CE :methyl 150:sc= -1.23 (180deg=-4.73!) USER MOD Single : A 67 TYR OH : rot 112:sc= -0.0022 USER MOD Single : A 68 THR OG1 : rot -170:sc= -0.789 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 287 N ASN A 23 -0.904 -3.957 7.344 1.00 0.00 N ATOM 288 CA ASN A 23 -1.860 -3.159 8.104 1.00 0.00 C ATOM 289 C ASN A 23 -2.565 -2.151 7.201 1.00 0.00 C ATOM 290 O ASN A 23 -2.179 -1.958 6.049 1.00 0.00 O ATOM 291 CB ASN A 23 -1.152 -2.429 9.247 1.00 0.00 C ATOM 292 CG ASN A 23 -2.094 -2.088 10.386 1.00 0.00 C ATOM 293 OD1 ASN A 23 -3.276 -2.429 10.352 1.00 0.00 O ATOM 294 ND2 ASN A 23 -1.572 -1.412 11.403 1.00 0.00 N ATOM 0 HA ASN A 23 -2.608 -3.833 8.521 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.340 -3.051 9.624 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.701 -1.513 8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.157 -1.155 12.198 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.586 -1.150 11.389 1.00 0.00 H new ATOM 301 N ALA A 24 -3.601 -1.512 7.735 1.00 0.00 N ATOM 302 CA ALA A 24 -4.359 -0.522 6.979 1.00 0.00 C ATOM 303 C ALA A 24 -3.478 0.658 6.583 1.00 0.00 C ATOM 304 O ALA A 24 -3.431 1.046 5.415 1.00 0.00 O ATOM 305 CB ALA A 24 -5.555 -0.042 7.789 1.00 0.00 C ATOM 0 H ALA A 24 -3.934 -1.662 8.687 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.719 -0.996 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.112 0.697 7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.203 -0.888 8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.208 0.410 8.718 1.00 0.00 H new ATOM 311 N PHE A 25 -2.783 1.227 7.562 1.00 0.00 N ATOM 312 CA PHE A 25 -1.905 2.365 7.316 1.00 0.00 C ATOM 313 C PHE A 25 -0.918 2.057 6.194 1.00 0.00 C ATOM 314 O PHE A 25 -0.643 2.904 5.344 1.00 0.00 O ATOM 315 CB PHE A 25 -1.145 2.736 8.591 1.00 0.00 C ATOM 316 CG PHE A 25 -0.186 3.876 8.407 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.650 5.153 8.133 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.181 3.672 8.507 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.230 6.205 7.963 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.066 4.721 8.339 1.00 0.00 C ATOM 321 CZ PHE A 25 1.590 5.988 8.066 1.00 0.00 C ATOM 0 H PHE A 25 -2.811 0.919 8.534 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.523 3.210 7.012 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.862 2.997 9.369 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.596 1.863 8.944 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.713 5.328 8.051 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.559 2.683 8.718 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.145 7.195 7.750 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.129 4.549 8.421 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.280 6.808 7.933 1.00 0.00 H new ATOM 331 N MET A 26 -0.387 0.838 6.198 1.00 0.00 N ATOM 332 CA MET A 26 0.569 0.418 5.181 1.00 0.00 C ATOM 333 C MET A 26 0.024 0.680 3.780 1.00 0.00 C ATOM 334 O MET A 26 0.728 1.207 2.918 1.00 0.00 O ATOM 335 CB MET A 26 0.898 -1.068 5.342 1.00 0.00 C ATOM 336 CG MET A 26 1.404 -1.431 6.729 1.00 0.00 C ATOM 337 SD MET A 26 2.570 -2.805 6.705 1.00 0.00 S ATOM 338 CE MET A 26 3.552 -2.441 8.158 1.00 0.00 C ATOM 0 H MET A 26 -0.603 0.125 6.894 1.00 0.00 H new ATOM 0 HA MET A 26 1.480 1.002 5.313 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.006 -1.655 5.124 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.651 -1.347 4.605 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.884 -0.560 7.176 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.557 -1.689 7.364 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.320 -3.205 8.279 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.025 -1.466 8.042 1.00 0.00 H new ATOM 0 HE3 MET A 26 2.909 -2.430 9.038 1.00 0.00 H new ATOM 348 N LEU A 27 -1.233 0.310 3.561 1.00 0.00 N ATOM 349 CA LEU A 27 -1.873 0.506 2.265 1.00 0.00 C ATOM 350 C LEU A 27 -1.916 1.985 1.896 1.00 0.00 C ATOM 351 O LEU A 27 -1.793 2.348 0.726 1.00 0.00 O ATOM 352 CB LEU A 27 -3.291 -0.068 2.282 1.00 0.00 C ATOM 353 CG LEU A 27 -3.743 -0.779 1.006 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.823 -1.948 0.691 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.183 -1.253 1.141 1.00 0.00 C ATOM 0 H LEU A 27 -1.829 -0.127 4.264 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.283 -0.020 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.367 -0.771 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.988 0.745 2.487 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.691 -0.069 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.161 -2.441 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.806 -1.583 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.842 -2.659 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.488 -1.757 0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.261 -1.946 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.833 -0.396 1.318 1.00 0.00 H new ATOM 367 N PHE A 28 -2.089 2.836 2.902 1.00 0.00 N ATOM 368 CA PHE A 28 -2.146 4.276 2.684 1.00 0.00 C ATOM 369 C PHE A 28 -0.772 4.826 2.315 1.00 0.00 C ATOM 370 O PHE A 28 -0.581 5.373 1.229 1.00 0.00 O ATOM 371 CB PHE A 28 -2.671 4.983 3.936 1.00 0.00 C ATOM 372 CG PHE A 28 -2.495 6.474 3.901 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.338 7.059 4.389 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.486 7.290 3.381 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.174 8.431 4.359 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.328 8.663 3.348 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.169 9.234 3.837 1.00 0.00 C ATOM 0 H PHE A 28 -2.192 2.553 3.876 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.828 4.465 1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.730 4.753 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.157 4.585 4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.556 6.436 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.393 6.848 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.268 8.875 4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.109 9.288 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.041 10.306 3.811 1.00 0.00 H new ATOM 387 N ALA A 29 0.183 4.676 3.227 1.00 0.00 N ATOM 388 CA ALA A 29 1.541 5.155 2.998 1.00 0.00 C ATOM 389 C ALA A 29 2.091 4.634 1.675 1.00 0.00 C ATOM 390 O ALA A 29 2.922 5.282 1.038 1.00 0.00 O ATOM 391 CB ALA A 29 2.447 4.743 4.148 1.00 0.00 C ATOM 0 H ALA A 29 0.041 4.226 4.132 1.00 0.00 H new ATOM 0 HA ALA A 29 1.512 6.243 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.458 5.107 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.071 5.170 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.462 3.656 4.228 1.00 0.00 H new ATOM 397 N LYS A 30 1.623 3.459 1.267 1.00 0.00 N ATOM 398 CA LYS A 30 2.067 2.850 0.019 1.00 0.00 C ATOM 399 C LYS A 30 1.328 3.450 -1.173 1.00 0.00 C ATOM 400 O LYS A 30 1.945 3.976 -2.099 1.00 0.00 O ATOM 401 CB LYS A 30 1.847 1.336 0.060 1.00 0.00 C ATOM 402 CG LYS A 30 2.936 0.583 0.803 1.00 0.00 C ATOM 403 CD LYS A 30 2.988 -0.877 0.387 1.00 0.00 C ATOM 404 CE LYS A 30 3.544 -1.754 1.499 1.00 0.00 C ATOM 405 NZ LYS A 30 5.022 -1.621 1.625 1.00 0.00 N ATOM 0 H LYS A 30 0.936 2.909 1.783 1.00 0.00 H new ATOM 0 HA LYS A 30 3.132 3.053 -0.097 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.887 1.130 0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.787 0.958 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.901 1.052 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.759 0.650 1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.987 -1.216 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.607 -0.981 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.073 -1.484 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.289 -2.795 1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.361 -2.234 2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.473 -1.903 0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.265 -0.632 1.838 1.00 0.00 H new ATOM 419 N LYS A 31 0.002 3.369 -1.142 1.00 0.00 N ATOM 420 CA LYS A 31 -0.823 3.906 -2.218 1.00 0.00 C ATOM 421 C LYS A 31 -0.536 5.389 -2.436 1.00 0.00 C ATOM 422 O LYS A 31 -0.728 5.913 -3.533 1.00 0.00 O ATOM 423 CB LYS A 31 -2.306 3.704 -1.901 1.00 0.00 C ATOM 424 CG LYS A 31 -3.224 3.983 -3.079 1.00 0.00 C ATOM 425 CD LYS A 31 -4.686 3.828 -2.696 1.00 0.00 C ATOM 426 CE LYS A 31 -5.070 2.364 -2.544 1.00 0.00 C ATOM 427 NZ LYS A 31 -5.265 1.702 -3.863 1.00 0.00 N ATOM 0 H LYS A 31 -0.525 2.936 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.577 3.368 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.461 2.678 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.584 4.356 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.049 4.994 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.987 3.301 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.876 4.354 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.314 4.293 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.293 1.841 -1.986 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.987 2.288 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.575 0.720 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.988 2.216 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.368 1.707 -4.390 1.00 0.00 H new ATOM 441 N TYR A 32 -0.074 6.057 -1.385 1.00 0.00 N ATOM 442 CA TYR A 32 0.238 7.479 -1.461 1.00 0.00 C ATOM 443 C TYR A 32 1.747 7.706 -1.460 1.00 0.00 C ATOM 444 O TYR A 32 2.215 8.840 -1.354 1.00 0.00 O ATOM 445 CB TYR A 32 -0.402 8.227 -0.290 1.00 0.00 C ATOM 446 CG TYR A 32 -1.880 8.485 -0.472 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.771 7.435 -0.661 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.387 9.779 -0.455 1.00 0.00 C ATOM 449 CE1 TYR A 32 -4.122 7.666 -0.829 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.738 10.019 -0.620 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.601 8.960 -0.807 1.00 0.00 C ATOM 452 OH TYR A 32 -5.947 9.194 -0.972 1.00 0.00 O ATOM 0 H TYR A 32 0.093 5.637 -0.471 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.169 7.865 -2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.252 7.651 0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.111 9.179 -0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.400 6.421 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.714 10.611 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.800 6.838 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.116 11.031 -0.603 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.119 10.158 -0.930 1.00 0.00 H new ATOM 462 N ARG A 33 2.502 6.619 -1.580 1.00 0.00 N ATOM 463 CA ARG A 33 3.958 6.698 -1.593 1.00 0.00 C ATOM 464 C ARG A 33 4.448 7.514 -2.786 1.00 0.00 C ATOM 465 O ARG A 33 4.919 8.641 -2.629 1.00 0.00 O ATOM 466 CB ARG A 33 4.566 5.295 -1.638 1.00 0.00 C ATOM 467 CG ARG A 33 6.085 5.287 -1.594 1.00 0.00 C ATOM 468 CD ARG A 33 6.613 4.128 -0.764 1.00 0.00 C ATOM 469 NE ARG A 33 6.954 2.973 -1.591 1.00 0.00 N ATOM 470 CZ ARG A 33 8.023 2.923 -2.378 1.00 0.00 C ATOM 471 NH1 ARG A 33 8.850 3.957 -2.444 1.00 0.00 N ATOM 472 NH2 ARG A 33 8.266 1.837 -3.101 1.00 0.00 N ATOM 0 H ARG A 33 2.130 5.674 -1.670 1.00 0.00 H new ATOM 0 HA ARG A 33 4.277 7.196 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.184 4.716 -0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.235 4.794 -2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.479 5.219 -2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.443 6.228 -1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.495 4.451 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.863 3.838 -0.028 1.00 0.00 H new ATOM 0 HE ARG A 33 6.338 2.161 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.666 4.793 -1.890 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.670 3.916 -3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.632 1.040 -3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.087 1.800 -3.705 1.00 0.00 H new ATOM 486 N VAL A 34 4.335 6.937 -3.978 1.00 0.00 N ATOM 487 CA VAL A 34 4.765 7.611 -5.197 1.00 0.00 C ATOM 488 C VAL A 34 4.099 8.975 -5.336 1.00 0.00 C ATOM 489 O VAL A 34 4.662 9.894 -5.931 1.00 0.00 O ATOM 490 CB VAL A 34 4.448 6.767 -6.446 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.944 6.655 -6.647 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.115 7.365 -7.676 1.00 0.00 C ATOM 0 H VAL A 34 3.949 6.004 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 34 5.844 7.744 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 34 4.846 5.764 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.739 6.055 -7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.495 6.179 -5.775 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.519 7.650 -6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.881 6.756 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.748 8.380 -7.832 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.195 7.388 -7.529 1.00 0.00 H new ATOM 502 N GLU A 35 2.897 9.100 -4.783 1.00 0.00 N ATOM 503 CA GLU A 35 2.153 10.353 -4.846 1.00 0.00 C ATOM 504 C GLU A 35 2.948 11.489 -4.208 1.00 0.00 C ATOM 505 O GLU A 35 2.936 12.619 -4.695 1.00 0.00 O ATOM 506 CB GLU A 35 0.801 10.205 -4.145 1.00 0.00 C ATOM 507 CG GLU A 35 -0.044 9.065 -4.688 1.00 0.00 C ATOM 508 CD GLU A 35 -0.033 9.000 -6.203 1.00 0.00 C ATOM 509 OE1 GLU A 35 -0.201 10.060 -6.842 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.142 7.891 -6.749 1.00 0.00 O ATOM 0 H GLU A 35 2.417 8.349 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 35 1.985 10.594 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.969 10.046 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.245 11.137 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.324 8.121 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.071 9.181 -4.341 1.00 0.00 H new ATOM 517 N TYR A 36 3.636 11.180 -3.115 1.00 0.00 N ATOM 518 CA TYR A 36 4.434 12.175 -2.407 1.00 0.00 C ATOM 519 C TYR A 36 5.889 12.131 -2.864 1.00 0.00 C ATOM 520 O TYR A 36 6.607 13.129 -2.788 1.00 0.00 O ATOM 521 CB TYR A 36 4.355 11.943 -0.897 1.00 0.00 C ATOM 522 CG TYR A 36 3.076 12.455 -0.273 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.841 11.948 -0.656 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.104 13.445 0.702 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.671 12.413 -0.088 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.939 13.915 1.276 1.00 0.00 C ATOM 527 CZ TYR A 36 0.725 13.396 0.877 1.00 0.00 C ATOM 528 OH TYR A 36 -0.438 13.862 1.446 1.00 0.00 O ATOM 0 H TYR A 36 3.658 10.249 -2.700 1.00 0.00 H new ATOM 0 HA TYR A 36 4.029 13.160 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.446 10.875 -0.696 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.204 12.430 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.795 11.177 -1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.053 13.854 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.281 12.009 -0.398 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.978 14.684 2.033 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.204 13.393 1.054 1.00 0.00 H new ATOM 538 N THR A 37 6.319 10.966 -3.340 1.00 0.00 N ATOM 539 CA THR A 37 7.687 10.790 -3.809 1.00 0.00 C ATOM 540 C THR A 37 7.977 11.685 -5.009 1.00 0.00 C ATOM 541 O THR A 37 9.114 12.107 -5.219 1.00 0.00 O ATOM 542 CB THR A 37 7.964 9.326 -4.197 1.00 0.00 C ATOM 543 OG1 THR A 37 7.452 8.447 -3.189 1.00 0.00 O ATOM 544 CG2 THR A 37 9.455 9.086 -4.376 1.00 0.00 C ATOM 0 H THR A 37 5.738 10.130 -3.411 1.00 0.00 H new ATOM 0 HA THR A 37 8.342 11.070 -2.984 1.00 0.00 H new ATOM 0 HB THR A 37 7.464 9.123 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.573 8.764 -2.894 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.626 8.045 -4.650 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.836 9.736 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.973 9.305 -3.443 1.00 0.00 H new ATOM 552 N GLN A 38 6.941 11.972 -5.791 1.00 0.00 N ATOM 553 CA GLN A 38 7.086 12.818 -6.970 1.00 0.00 C ATOM 554 C GLN A 38 6.654 14.249 -6.669 1.00 0.00 C ATOM 555 O GLN A 38 7.119 15.195 -7.305 1.00 0.00 O ATOM 556 CB GLN A 38 6.262 12.257 -8.130 1.00 0.00 C ATOM 557 CG GLN A 38 6.596 10.814 -8.472 1.00 0.00 C ATOM 558 CD GLN A 38 6.174 10.434 -9.877 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.917 10.636 -10.838 1.00 0.00 O ATOM 560 NE2 GLN A 38 4.973 9.880 -10.005 1.00 0.00 N ATOM 0 H GLN A 38 5.993 11.632 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 38 8.139 12.828 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.203 12.327 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.422 12.877 -9.012 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.670 10.658 -8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.105 10.153 -7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.390 9.731 -9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.634 9.604 -10.927 1.00 0.00 H new ATOM 569 N MET A 39 5.761 14.401 -5.696 1.00 0.00 N ATOM 570 CA MET A 39 5.267 15.718 -5.311 1.00 0.00 C ATOM 571 C MET A 39 6.297 16.459 -4.464 1.00 0.00 C ATOM 572 O MET A 39 6.441 17.677 -4.569 1.00 0.00 O ATOM 573 CB MET A 39 3.954 15.587 -4.538 1.00 0.00 C ATOM 574 CG MET A 39 2.721 15.608 -5.427 1.00 0.00 C ATOM 575 SD MET A 39 1.249 16.187 -4.561 1.00 0.00 S ATOM 576 CE MET A 39 0.858 14.752 -3.563 1.00 0.00 C ATOM 0 H MET A 39 5.365 13.629 -5.160 1.00 0.00 H new ATOM 0 HA MET A 39 5.090 16.292 -6.220 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.967 14.656 -3.971 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.885 16.400 -3.815 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.909 16.252 -6.286 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.539 14.605 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.032 14.954 -2.968 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.673 13.896 -4.213 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.695 14.531 -2.900 1.00 0.00 H new ATOM 586 N TYR A 40 7.012 15.716 -3.626 1.00 0.00 N ATOM 587 CA TYR A 40 8.026 16.303 -2.759 1.00 0.00 C ATOM 588 C TYR A 40 9.383 15.641 -2.982 1.00 0.00 C ATOM 589 O TYR A 40 9.906 14.933 -2.122 1.00 0.00 O ATOM 590 CB TYR A 40 7.615 16.168 -1.292 1.00 0.00 C ATOM 591 CG TYR A 40 6.350 16.920 -0.946 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.107 16.454 -1.358 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.397 18.096 -0.209 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.948 17.138 -1.045 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.243 18.786 0.111 1.00 0.00 C ATOM 596 CZ TYR A 40 4.022 18.303 -0.310 1.00 0.00 C ATOM 597 OH TYR A 40 2.870 18.988 0.005 1.00 0.00 O ATOM 0 H TYR A 40 6.908 14.706 -3.529 1.00 0.00 H new ATOM 0 HA TYR A 40 8.112 17.361 -3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.476 15.113 -1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.427 16.530 -0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.046 15.542 -1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.352 18.478 0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.990 16.763 -1.374 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.297 19.698 0.687 1.00 0.00 H new ATOM 0 HH TYR A 40 3.096 19.786 0.527 1.00 0.00 H new ATOM 607 N PRO A 41 9.968 15.877 -4.166 1.00 0.00 N ATOM 608 CA PRO A 41 11.271 15.314 -4.531 1.00 0.00 C ATOM 609 C PRO A 41 12.414 15.933 -3.733 1.00 0.00 C ATOM 610 O PRO A 41 13.512 15.382 -3.673 1.00 0.00 O ATOM 611 CB PRO A 41 11.405 15.664 -6.015 1.00 0.00 C ATOM 612 CG PRO A 41 10.548 16.868 -6.200 1.00 0.00 C ATOM 613 CD PRO A 41 9.402 16.711 -5.239 1.00 0.00 C ATOM 0 HA PRO A 41 11.326 14.245 -4.324 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.442 15.872 -6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.073 14.841 -6.647 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.107 17.781 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.190 16.938 -7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.060 17.674 -4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.545 16.231 -5.711 1.00 0.00 H new ATOM 621 N GLY A 42 12.147 17.083 -3.120 1.00 0.00 N ATOM 622 CA GLY A 42 13.163 17.757 -2.333 1.00 0.00 C ATOM 623 C GLY A 42 13.298 17.175 -0.940 1.00 0.00 C ATOM 624 O GLY A 42 14.318 17.363 -0.277 1.00 0.00 O ATOM 0 H GLY A 42 11.246 17.559 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.122 17.688 -2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.917 18.816 -2.259 1.00 0.00 H new ATOM 628 N LYS A 43 12.265 16.469 -0.493 1.00 0.00 N ATOM 629 CA LYS A 43 12.272 15.857 0.831 1.00 0.00 C ATOM 630 C LYS A 43 12.778 14.420 0.764 1.00 0.00 C ATOM 631 O LYS A 43 13.063 13.902 -0.316 1.00 0.00 O ATOM 632 CB LYS A 43 10.866 15.887 1.435 1.00 0.00 C ATOM 633 CG LYS A 43 10.460 17.252 1.964 1.00 0.00 C ATOM 634 CD LYS A 43 9.039 17.241 2.501 1.00 0.00 C ATOM 635 CE LYS A 43 8.595 18.632 2.930 1.00 0.00 C ATOM 636 NZ LYS A 43 8.779 19.633 1.843 1.00 0.00 N ATOM 0 H LYS A 43 11.412 16.306 -1.028 1.00 0.00 H new ATOM 0 HA LYS A 43 12.947 16.431 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.148 15.572 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.813 15.162 2.247 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.146 17.556 2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.543 17.992 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.362 16.862 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.975 16.559 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.546 18.604 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.164 18.940 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.944 20.251 1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.623 20.207 2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.898 19.141 0.935 1.00 0.00 H new ATOM 650 N ASP A 44 12.885 13.781 1.924 1.00 0.00 N ATOM 651 CA ASP A 44 13.354 12.402 1.997 1.00 0.00 C ATOM 652 C ASP A 44 12.265 11.486 2.546 1.00 0.00 C ATOM 653 O ASP A 44 11.247 11.952 3.055 1.00 0.00 O ATOM 654 CB ASP A 44 14.604 12.312 2.873 1.00 0.00 C ATOM 655 CG ASP A 44 15.824 12.917 2.206 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.085 12.582 1.032 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.519 13.724 2.859 1.00 0.00 O ATOM 0 H ASP A 44 12.653 14.196 2.827 1.00 0.00 H new ATOM 0 HA ASP A 44 13.603 12.075 0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.419 12.823 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.804 11.267 3.110 1.00 0.00 H new ATOM 662 N ASN A 45 12.488 10.180 2.438 1.00 0.00 N ATOM 663 CA ASN A 45 11.524 9.198 2.923 1.00 0.00 C ATOM 664 C ASN A 45 11.140 9.482 4.372 1.00 0.00 C ATOM 665 O ASN A 45 9.978 9.346 4.755 1.00 0.00 O ATOM 666 CB ASN A 45 12.101 7.786 2.804 1.00 0.00 C ATOM 667 CG ASN A 45 13.558 7.720 3.216 1.00 0.00 C ATOM 668 OD1 ASN A 45 13.879 7.718 4.405 1.00 0.00 O ATOM 669 ND2 ASN A 45 14.449 7.665 2.233 1.00 0.00 N ATOM 0 H ASN A 45 13.327 9.777 2.020 1.00 0.00 H new ATOM 0 HA ASN A 45 10.627 9.271 2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.519 7.105 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.001 7.441 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.445 7.619 2.449 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.138 7.669 1.262 1.00 0.00 H new ATOM 676 N ARG A 46 12.124 9.879 5.172 1.00 0.00 N ATOM 677 CA ARG A 46 11.890 10.181 6.579 1.00 0.00 C ATOM 678 C ARG A 46 10.805 11.243 6.733 1.00 0.00 C ATOM 679 O ARG A 46 10.063 11.249 7.715 1.00 0.00 O ATOM 680 CB ARG A 46 13.183 10.659 7.242 1.00 0.00 C ATOM 681 CG ARG A 46 13.091 10.755 8.756 1.00 0.00 C ATOM 682 CD ARG A 46 14.318 11.432 9.347 1.00 0.00 C ATOM 683 NE ARG A 46 14.297 11.426 10.807 1.00 0.00 N ATOM 684 CZ ARG A 46 15.165 12.095 11.558 1.00 0.00 C ATOM 685 NH1 ARG A 46 16.118 12.820 10.988 1.00 0.00 N ATOM 686 NH2 ARG A 46 15.081 12.040 12.881 1.00 0.00 N ATOM 0 H ARG A 46 13.091 9.999 4.870 1.00 0.00 H new ATOM 0 HA ARG A 46 11.554 9.268 7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.991 9.976 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.448 11.637 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.197 11.314 9.033 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.986 9.756 9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.216 10.925 8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.372 12.460 8.990 1.00 0.00 H new ATOM 0 HE ARG A 46 13.576 10.878 11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.186 12.865 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 46 16.783 13.333 11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.349 11.483 13.323 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.748 12.554 13.456 1.00 0.00 H new ATOM 700 N ALA A 47 10.718 12.140 5.756 1.00 0.00 N ATOM 701 CA ALA A 47 9.724 13.205 5.782 1.00 0.00 C ATOM 702 C ALA A 47 8.399 12.734 5.190 1.00 0.00 C ATOM 703 O ALA A 47 7.331 13.008 5.738 1.00 0.00 O ATOM 704 CB ALA A 47 10.236 14.424 5.030 1.00 0.00 C ATOM 0 H ALA A 47 11.325 12.150 4.936 1.00 0.00 H new ATOM 0 HA ALA A 47 9.550 13.480 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.483 15.211 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.153 14.782 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.440 14.153 3.994 1.00 0.00 H new ATOM 710 N ILE A 48 8.477 12.025 4.069 1.00 0.00 N ATOM 711 CA ILE A 48 7.284 11.517 3.403 1.00 0.00 C ATOM 712 C ILE A 48 6.398 10.746 4.376 1.00 0.00 C ATOM 713 O ILE A 48 5.181 10.926 4.400 1.00 0.00 O ATOM 714 CB ILE A 48 7.647 10.600 2.220 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.510 11.355 1.207 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.385 10.067 1.557 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.804 12.531 0.570 1.00 0.00 C ATOM 0 H ILE A 48 9.353 11.789 3.603 1.00 0.00 H new ATOM 0 HA ILE A 48 6.739 12.383 3.027 1.00 0.00 H new ATOM 0 HB ILE A 48 8.221 9.754 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.413 11.709 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.826 10.664 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.658 9.421 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.805 9.497 2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.787 10.901 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.475 13.019 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.916 12.181 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.512 13.242 1.343 1.00 0.00 H new ATOM 729 N SER A 49 7.018 9.887 5.179 1.00 0.00 N ATOM 730 CA SER A 49 6.286 9.087 6.154 1.00 0.00 C ATOM 731 C SER A 49 5.596 9.979 7.181 1.00 0.00 C ATOM 732 O SER A 49 4.435 9.763 7.529 1.00 0.00 O ATOM 733 CB SER A 49 7.232 8.114 6.860 1.00 0.00 C ATOM 734 OG SER A 49 8.019 7.398 5.925 1.00 0.00 O ATOM 0 H SER A 49 8.025 9.727 5.174 1.00 0.00 H new ATOM 0 HA SER A 49 5.523 8.519 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.882 8.664 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.654 7.415 7.465 1.00 0.00 H new ATOM 0 HG SER A 49 8.753 7.967 5.612 1.00 0.00 H new ATOM 740 N VAL A 50 6.320 10.985 7.663 1.00 0.00 N ATOM 741 CA VAL A 50 5.778 11.912 8.650 1.00 0.00 C ATOM 742 C VAL A 50 4.571 12.660 8.097 1.00 0.00 C ATOM 743 O VAL A 50 3.523 12.729 8.740 1.00 0.00 O ATOM 744 CB VAL A 50 6.839 12.934 9.101 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.248 13.908 10.109 1.00 0.00 C ATOM 746 CG2 VAL A 50 8.051 12.222 9.682 1.00 0.00 C ATOM 0 H VAL A 50 7.282 11.179 7.386 1.00 0.00 H new ATOM 0 HA VAL A 50 5.470 11.316 9.509 1.00 0.00 H new ATOM 0 HB VAL A 50 7.164 13.503 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.012 14.622 10.416 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.414 14.442 9.653 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.894 13.359 10.981 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.790 12.959 9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.745 11.626 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.487 11.570 8.925 1.00 0.00 H new ATOM 756 N ILE A 51 4.724 13.219 6.901 1.00 0.00 N ATOM 757 CA ILE A 51 3.645 13.960 6.261 1.00 0.00 C ATOM 758 C ILE A 51 2.474 13.044 5.922 1.00 0.00 C ATOM 759 O ILE A 51 1.314 13.453 5.986 1.00 0.00 O ATOM 760 CB ILE A 51 4.127 14.656 4.974 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.289 15.603 5.284 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.981 15.413 4.320 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.079 16.011 4.061 1.00 0.00 C ATOM 0 H ILE A 51 5.585 13.173 6.356 1.00 0.00 H new ATOM 0 HA ILE A 51 3.316 14.717 6.973 1.00 0.00 H new ATOM 0 HB ILE A 51 4.479 13.895 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.898 16.497 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.960 15.121 5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.337 15.899 3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.181 14.716 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.602 16.167 5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.886 16.682 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.499 15.124 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.422 16.522 3.357 1.00 0.00 H new ATOM 775 N LEU A 52 2.785 11.804 5.563 1.00 0.00 N ATOM 776 CA LEU A 52 1.758 10.828 5.216 1.00 0.00 C ATOM 777 C LEU A 52 0.882 10.506 6.423 1.00 0.00 C ATOM 778 O LEU A 52 -0.345 10.531 6.336 1.00 0.00 O ATOM 779 CB LEU A 52 2.403 9.547 4.684 1.00 0.00 C ATOM 780 CG LEU A 52 2.731 9.530 3.191 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.436 8.236 2.814 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.465 9.709 2.366 1.00 0.00 C ATOM 0 H LEU A 52 3.740 11.450 5.504 1.00 0.00 H new ATOM 0 HA LEU A 52 1.129 11.261 4.439 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.324 9.370 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.736 8.712 4.898 1.00 0.00 H new ATOM 0 HG LEU A 52 3.402 10.361 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.662 8.242 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.363 8.148 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.789 7.389 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.717 9.695 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.770 8.898 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.000 10.663 2.616 1.00 0.00 H new ATOM 794 N GLY A 53 1.522 10.207 7.549 1.00 0.00 N ATOM 795 CA GLY A 53 0.785 9.888 8.758 1.00 0.00 C ATOM 796 C GLY A 53 -0.231 10.954 9.117 1.00 0.00 C ATOM 797 O GLY A 53 -1.383 10.646 9.421 1.00 0.00 O ATOM 0 H GLY A 53 2.537 10.180 7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.275 8.934 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.485 9.765 9.584 1.00 0.00 H new ATOM 801 N ASP A 54 0.198 12.211 9.084 1.00 0.00 N ATOM 802 CA ASP A 54 -0.683 13.328 9.409 1.00 0.00 C ATOM 803 C ASP A 54 -1.967 13.264 8.589 1.00 0.00 C ATOM 804 O ASP A 54 -3.065 13.413 9.124 1.00 0.00 O ATOM 805 CB ASP A 54 0.031 14.657 9.160 1.00 0.00 C ATOM 806 CG ASP A 54 -0.574 15.797 9.954 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.593 15.567 10.639 1.00 0.00 O ATOM 808 OD2 ASP A 54 -0.031 16.920 9.891 1.00 0.00 O ATOM 0 H ASP A 54 1.149 12.482 8.836 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.944 13.257 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.084 14.555 9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.012 14.895 8.097 1.00 0.00 H new ATOM 813 N ARG A 55 -1.821 13.043 7.286 1.00 0.00 N ATOM 814 CA ARG A 55 -2.969 12.962 6.392 1.00 0.00 C ATOM 815 C ARG A 55 -3.936 11.873 6.846 1.00 0.00 C ATOM 816 O ARG A 55 -5.154 12.040 6.770 1.00 0.00 O ATOM 817 CB ARG A 55 -2.508 12.684 4.960 1.00 0.00 C ATOM 818 CG ARG A 55 -1.922 13.900 4.262 1.00 0.00 C ATOM 819 CD ARG A 55 -2.872 14.451 3.210 1.00 0.00 C ATOM 820 NE ARG A 55 -2.499 15.798 2.788 1.00 0.00 N ATOM 821 CZ ARG A 55 -3.334 16.635 2.181 1.00 0.00 C ATOM 822 NH1 ARG A 55 -4.581 16.266 1.927 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.920 17.845 1.826 1.00 0.00 N ATOM 0 H ARG A 55 -0.919 12.917 6.827 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.488 13.920 6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.762 11.890 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.354 12.315 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.705 14.674 4.998 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.975 13.631 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.878 13.789 2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.886 14.464 3.609 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.546 16.114 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.903 15.337 2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.219 16.911 1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.961 18.133 2.019 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.561 18.487 1.360 1.00 0.00 H new ATOM 837 N TRP A 56 -3.387 10.760 7.317 1.00 0.00 N ATOM 838 CA TRP A 56 -4.202 9.643 7.783 1.00 0.00 C ATOM 839 C TRP A 56 -5.028 10.044 9.000 1.00 0.00 C ATOM 840 O TRP A 56 -6.094 9.481 9.252 1.00 0.00 O ATOM 841 CB TRP A 56 -3.314 8.446 8.126 1.00 0.00 C ATOM 842 CG TRP A 56 -4.075 7.285 8.692 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.347 7.048 10.009 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.660 6.204 7.958 1.00 0.00 C ATOM 845 NE1 TRP A 56 -5.066 5.884 10.139 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.271 5.347 8.895 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.729 5.876 6.602 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.940 4.186 8.516 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.393 4.724 6.227 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.992 3.890 7.181 1.00 0.00 C ATOM 0 H TRP A 56 -2.381 10.606 7.387 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.884 9.362 6.980 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.788 8.123 7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.556 8.759 8.844 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.042 7.682 10.828 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.394 5.485 11.018 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.271 6.512 5.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.402 3.542 9.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.452 4.462 5.181 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.504 2.997 6.856 1.00 0.00 H new ATOM 861 N LYS A 57 -4.531 11.019 9.753 1.00 0.00 N ATOM 862 CA LYS A 57 -5.224 11.496 10.944 1.00 0.00 C ATOM 863 C LYS A 57 -6.319 12.492 10.574 1.00 0.00 C ATOM 864 O LYS A 57 -7.358 12.562 11.232 1.00 0.00 O ATOM 865 CB LYS A 57 -4.232 12.149 11.910 1.00 0.00 C ATOM 866 CG LYS A 57 -2.968 11.335 12.125 1.00 0.00 C ATOM 867 CD LYS A 57 -2.329 11.643 13.468 1.00 0.00 C ATOM 868 CE LYS A 57 -1.926 13.105 13.572 1.00 0.00 C ATOM 869 NZ LYS A 57 -1.018 13.350 14.727 1.00 0.00 N ATOM 0 H LYS A 57 -3.650 11.495 9.559 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.686 10.638 11.432 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.960 13.133 11.528 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.722 12.304 12.871 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.204 10.272 12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.258 11.546 11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.027 11.399 14.269 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.451 11.012 13.608 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.432 13.412 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.819 13.721 13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.766 14.358 14.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.498 13.081 15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.154 12.781 14.616 1.00 0.00 H new ATOM 883 N LYS A 58 -6.081 13.260 9.516 1.00 0.00 N ATOM 884 CA LYS A 58 -7.048 14.250 9.055 1.00 0.00 C ATOM 885 C LYS A 58 -8.225 13.577 8.356 1.00 0.00 C ATOM 886 O LYS A 58 -9.363 14.035 8.457 1.00 0.00 O ATOM 887 CB LYS A 58 -6.377 15.244 8.105 1.00 0.00 C ATOM 888 CG LYS A 58 -6.403 16.677 8.608 1.00 0.00 C ATOM 889 CD LYS A 58 -5.509 17.577 7.772 1.00 0.00 C ATOM 890 CE LYS A 58 -5.047 18.793 8.561 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.505 19.858 7.672 1.00 0.00 N ATOM 0 H LYS A 58 -5.226 13.216 8.961 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.424 14.787 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.342 14.942 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.873 15.199 7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.425 17.054 8.583 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.078 16.705 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.641 17.013 7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.049 17.903 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.882 19.191 9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.281 18.492 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.201 20.669 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.692 19.486 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.243 20.163 7.006 1.00 0.00 H new ATOM 905 N MET A 59 -7.943 12.488 7.648 1.00 0.00 N ATOM 906 CA MET A 59 -8.979 11.751 6.934 1.00 0.00 C ATOM 907 C MET A 59 -10.115 11.361 7.875 1.00 0.00 C ATOM 908 O MET A 59 -9.981 11.446 9.096 1.00 0.00 O ATOM 909 CB MET A 59 -8.388 10.499 6.283 1.00 0.00 C ATOM 910 CG MET A 59 -7.810 10.749 4.900 1.00 0.00 C ATOM 911 SD MET A 59 -7.518 9.224 3.984 1.00 0.00 S ATOM 912 CE MET A 59 -6.410 8.365 5.099 1.00 0.00 C ATOM 0 H MET A 59 -7.006 12.097 7.554 1.00 0.00 H new ATOM 0 HA MET A 59 -9.381 12.400 6.156 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.606 10.099 6.928 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.163 9.736 6.211 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.493 11.383 4.334 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.872 11.296 4.996 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.335 7.319 4.803 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.423 8.826 5.058 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.797 8.427 6.116 1.00 0.00 H new ATOM 922 N LYS A 60 -11.234 10.934 7.300 1.00 0.00 N ATOM 923 CA LYS A 60 -12.393 10.530 8.086 1.00 0.00 C ATOM 924 C LYS A 60 -12.400 9.021 8.310 1.00 0.00 C ATOM 925 O LYS A 60 -11.438 8.330 7.975 1.00 0.00 O ATOM 926 CB LYS A 60 -13.685 10.958 7.386 1.00 0.00 C ATOM 927 CG LYS A 60 -13.755 12.447 7.097 1.00 0.00 C ATOM 928 CD LYS A 60 -14.416 13.205 8.236 1.00 0.00 C ATOM 929 CE LYS A 60 -15.929 13.236 8.081 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.550 14.307 8.908 1.00 0.00 N ATOM 0 H LYS A 60 -11.363 10.859 6.291 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.332 11.023 9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.779 10.410 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.535 10.677 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.749 12.835 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.313 12.614 6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.156 12.737 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.031 14.224 8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.183 13.393 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.343 12.269 8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.581 14.295 8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -16.329 14.143 9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.174 15.232 8.617 1.00 0.00 H new ATOM 944 N ASN A 61 -13.490 8.516 8.878 1.00 0.00 N ATOM 945 CA ASN A 61 -13.622 7.089 9.146 1.00 0.00 C ATOM 946 C ASN A 61 -13.710 6.297 7.845 1.00 0.00 C ATOM 947 O ASN A 61 -12.974 5.332 7.643 1.00 0.00 O ATOM 948 CB ASN A 61 -14.860 6.821 10.004 1.00 0.00 C ATOM 949 CG ASN A 61 -16.098 7.509 9.462 1.00 0.00 C ATOM 950 OD1 ASN A 61 -16.880 6.912 8.722 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.282 8.772 9.828 1.00 0.00 N ATOM 0 H ASN A 61 -14.295 9.074 9.162 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.735 6.764 9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.038 5.747 10.055 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.674 7.163 11.022 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.097 9.286 9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -15.608 9.228 10.443 1.00 0.00 H new ATOM 958 N GLU A 62 -14.616 6.713 6.965 1.00 0.00 N ATOM 959 CA GLU A 62 -14.801 6.043 5.684 1.00 0.00 C ATOM 960 C GLU A 62 -13.563 6.198 4.805 1.00 0.00 C ATOM 961 O GLU A 62 -13.187 5.280 4.077 1.00 0.00 O ATOM 962 CB GLU A 62 -16.026 6.604 4.961 1.00 0.00 C ATOM 963 CG GLU A 62 -17.257 6.715 5.845 1.00 0.00 C ATOM 964 CD GLU A 62 -18.550 6.672 5.054 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.597 7.270 3.959 1.00 0.00 O ATOM 966 OE2 GLU A 62 -19.515 6.038 5.530 1.00 0.00 O ATOM 0 H GLU A 62 -15.233 7.511 7.116 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.958 4.982 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.784 7.590 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.258 5.966 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.253 5.902 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.212 7.647 6.409 1.00 0.00 H new ATOM 973 N GLU A 63 -12.934 7.367 4.880 1.00 0.00 N ATOM 974 CA GLU A 63 -11.740 7.644 4.091 1.00 0.00 C ATOM 975 C GLU A 63 -10.647 6.618 4.380 1.00 0.00 C ATOM 976 O GLU A 63 -9.786 6.360 3.539 1.00 0.00 O ATOM 977 CB GLU A 63 -11.222 9.053 4.384 1.00 0.00 C ATOM 978 CG GLU A 63 -12.213 10.151 4.033 1.00 0.00 C ATOM 979 CD GLU A 63 -12.369 10.340 2.537 1.00 0.00 C ATOM 980 OE1 GLU A 63 -12.989 9.471 1.890 1.00 0.00 O ATOM 981 OE2 GLU A 63 -11.869 11.358 2.013 1.00 0.00 O ATOM 0 H GLU A 63 -13.232 8.137 5.479 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.009 7.576 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.971 9.126 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.300 9.215 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.183 9.912 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.885 11.089 4.482 1.00 0.00 H new ATOM 988 N ARG A 64 -10.690 6.038 5.575 1.00 0.00 N ATOM 989 CA ARG A 64 -9.703 5.043 5.977 1.00 0.00 C ATOM 990 C ARG A 64 -10.277 3.633 5.865 1.00 0.00 C ATOM 991 O ARG A 64 -9.538 2.664 5.688 1.00 0.00 O ATOM 992 CB ARG A 64 -9.239 5.304 7.410 1.00 0.00 C ATOM 993 CG ARG A 64 -8.480 6.611 7.577 1.00 0.00 C ATOM 994 CD ARG A 64 -8.189 6.904 9.040 1.00 0.00 C ATOM 995 NE ARG A 64 -9.242 7.706 9.657 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.259 8.030 10.945 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.286 7.623 11.748 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.252 8.764 11.433 1.00 0.00 N ATOM 0 H ARG A 64 -11.397 6.240 6.281 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.848 5.123 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.108 5.312 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.602 4.480 7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.543 6.562 7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.062 7.428 7.150 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.083 5.965 9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.238 7.430 9.122 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.006 8.035 9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.521 7.059 11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.302 7.874 12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.003 9.080 10.819 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.264 9.012 12.422 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.597 3.527 5.970 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.269 2.237 5.883 1.00 0.00 C ATOM 1014 C ARG A 65 -11.844 1.486 4.624 1.00 0.00 C ATOM 1015 O ARG A 65 -11.674 0.267 4.644 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.787 2.427 5.888 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.553 1.201 6.358 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.050 1.361 6.138 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.807 0.242 6.693 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.094 0.031 6.443 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.764 0.857 5.652 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.714 -1.010 6.985 1.00 0.00 N ATOM 0 H ARG A 65 -12.223 4.319 6.116 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.981 1.646 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.037 3.270 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.115 2.686 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.197 0.321 5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.356 1.031 7.416 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.387 2.290 6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.253 1.442 5.070 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.321 -0.413 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.291 1.658 5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.752 0.692 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.202 -1.648 7.594 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.703 -1.172 6.793 1.00 0.00 H new ATOM 1036 N MET A 66 -11.675 2.223 3.531 1.00 0.00 N ATOM 1037 CA MET A 66 -11.269 1.626 2.264 1.00 0.00 C ATOM 1038 C MET A 66 -10.020 0.769 2.442 1.00 0.00 C ATOM 1039 O MET A 66 -9.860 -0.257 1.780 1.00 0.00 O ATOM 1040 CB MET A 66 -11.008 2.717 1.223 1.00 0.00 C ATOM 1041 CG MET A 66 -9.956 3.727 1.651 1.00 0.00 C ATOM 1042 SD MET A 66 -9.994 5.232 0.659 1.00 0.00 S ATOM 1043 CE MET A 66 -11.621 5.863 1.064 1.00 0.00 C ATOM 0 H MET A 66 -11.813 3.233 3.497 1.00 0.00 H new ATOM 0 HA MET A 66 -12.080 0.987 1.916 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.693 2.250 0.290 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.941 3.242 1.017 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.109 3.983 2.699 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.969 3.272 1.575 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.615 6.951 1.002 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.352 5.463 0.361 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.888 5.559 2.076 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.138 1.195 3.339 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.902 0.467 3.602 1.00 0.00 C ATOM 1055 C TYR A 67 -8.075 -0.495 4.773 1.00 0.00 C ATOM 1056 O TYR A 67 -7.469 -1.566 4.808 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.762 1.444 3.893 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.700 2.607 2.929 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.190 2.444 1.647 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.149 3.868 3.300 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.130 3.504 0.762 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.094 4.933 2.421 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.584 4.746 1.154 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.526 5.804 0.276 1.00 0.00 O ATOM 0 H TYR A 67 -9.256 2.041 3.897 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.656 -0.113 2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.874 1.829 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.815 0.905 3.860 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.834 1.473 1.337 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.548 4.019 4.292 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.730 3.361 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.449 5.907 2.725 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.434 6.062 0.015 1.00 0.00 H new ATOM 1074 N THR A 68 -8.908 -0.105 5.733 1.00 0.00 N ATOM 1075 CA THR A 68 -9.162 -0.930 6.907 1.00 0.00 C ATOM 1076 C THR A 68 -9.653 -2.317 6.508 1.00 0.00 C ATOM 1077 O THR A 68 -8.979 -3.319 6.750 1.00 0.00 O ATOM 1078 CB THR A 68 -10.201 -0.277 7.838 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.030 1.144 7.844 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.070 -0.814 9.256 1.00 0.00 C ATOM 0 H THR A 68 -9.418 0.778 5.720 1.00 0.00 H new ATOM 0 HA THR A 68 -8.216 -1.022 7.440 1.00 0.00 H new ATOM 0 HB THR A 68 -11.195 -0.521 7.464 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.583 1.537 8.551 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.814 -0.338 9.895 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.230 -1.892 9.253 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.072 -0.596 9.637 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.831 -2.368 5.896 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.413 -3.634 5.462 1.00 0.00 C ATOM 1090 C LEU A 69 -10.510 -4.330 4.449 1.00 0.00 C ATOM 1091 O LEU A 69 -10.269 -5.533 4.542 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.797 -3.400 4.853 1.00 0.00 C ATOM 1093 CG LEU A 69 -13.915 -3.058 5.839 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.946 -2.153 5.184 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.571 -4.328 6.361 1.00 0.00 C ATOM 0 H LEU A 69 -11.402 -1.548 5.689 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.512 -4.278 6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.720 -2.591 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.086 -4.296 4.303 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.479 -2.524 6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.734 -1.920 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.466 -1.230 4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.379 -2.659 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.364 -4.066 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.993 -4.889 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.826 -4.940 6.869 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.012 -3.563 3.483 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.134 -4.107 2.454 1.00 0.00 C ATOM 1109 C GLU A 70 -7.968 -4.867 3.079 1.00 0.00 C ATOM 1110 O GLU A 70 -7.786 -6.058 2.832 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.605 -2.984 1.558 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.727 -3.476 0.420 1.00 0.00 C ATOM 1113 CD GLU A 70 -8.491 -4.313 -0.587 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -9.738 -4.319 -0.529 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -7.841 -4.962 -1.433 1.00 0.00 O ATOM 0 H GLU A 70 -10.202 -2.565 3.392 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.714 -4.803 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.449 -2.434 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.036 -2.282 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.283 -2.620 -0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.906 -4.065 0.828 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.180 -4.167 3.889 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.032 -4.775 4.551 1.00 0.00 C ATOM 1124 C ALA A 71 -6.444 -6.017 5.333 1.00 0.00 C ATOM 1125 O ALA A 71 -5.708 -7.002 5.387 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.360 -3.767 5.471 1.00 0.00 C ATOM 0 H ALA A 71 -7.316 -3.179 4.102 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.320 -5.081 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.504 -4.234 5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.022 -2.911 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.071 -3.433 6.227 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.624 -5.964 5.940 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.135 -7.085 6.720 1.00 0.00 C ATOM 1134 C LYS A 72 -8.231 -8.344 5.865 1.00 0.00 C ATOM 1135 O LYS A 72 -7.626 -9.368 6.182 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.510 -6.745 7.301 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.798 -7.431 8.624 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.068 -6.897 9.265 1.00 0.00 C ATOM 1139 CE LYS A 72 -10.865 -5.496 9.822 1.00 0.00 C ATOM 1140 NZ LYS A 72 -11.862 -5.169 10.879 1.00 0.00 N ATOM 0 H LYS A 72 -8.245 -5.156 5.907 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.438 -7.274 7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.580 -5.666 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.279 -7.026 6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.894 -8.505 8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.957 -7.283 9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.871 -6.884 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.382 -7.566 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.859 -5.411 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.942 -4.769 9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.690 -4.206 11.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.821 -5.225 10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.772 -5.847 11.663 1.00 0.00 H new