USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot 180:sc= 0.283 USER MOD Set 1.2: A 75 GLN : amide:sc= 0 X(o=0.28,f=0.34) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.878 K(o=1.5,f=0.46) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.575 K(o=1.5,f=0.46) USER MOD Single : A 17 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0.027) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= 1.03 (180deg=-0.283!) USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= 0.394 (180deg=0.261) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -169:sc= 0 (180deg=-0.126) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 CYS SG : rot -82:sc= -0.278 USER MOD Single : A 51 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.074) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 153:sc= -0.0262 (180deg=-0.359) USER MOD Single : A 57 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.021) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc=-0.00462 X(o=-0.0046,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 152:sc= 0 (180deg=-0.614) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= 0.0534 X(o=0.053,f=-0.048) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 65.142 21.215 46.426 1.00 1.00 N ATOM 245 CA HIS A 17 65.992 22.148 45.743 1.00 1.00 C ATOM 246 C HIS A 17 67.363 21.655 45.396 1.00 1.00 C ATOM 247 O HIS A 17 68.125 21.183 46.239 1.00 1.00 O ATOM 248 CB HIS A 17 66.081 23.515 46.450 1.00 1.00 C ATOM 249 CG HIS A 17 66.478 23.543 47.899 1.00 1.00 C ATOM 250 ND1 HIS A 17 66.111 24.594 48.696 1.00 1.00 N ATOM 251 CD2 HIS A 17 67.201 22.698 48.682 1.00 1.00 C ATOM 252 CE1 HIS A 17 66.574 24.398 49.918 1.00 1.00 C ATOM 253 NE2 HIS A 17 67.230 23.251 49.936 1.00 1.00 N ATOM 0 HA HIS A 17 65.476 22.273 44.791 1.00 1.00 H new ATOM 0 HB2 HIS A 17 66.793 24.129 45.898 1.00 1.00 H new ATOM 0 HB3 HIS A 17 65.108 23.999 46.362 1.00 1.00 H new ATOM 0 HD2 HIS A 17 67.663 21.771 48.375 1.00 1.00 H new ATOM 0 HE1 HIS A 17 66.439 25.062 50.759 1.00 1.00 H new ATOM 0 HE2 HIS A 17 67.685 22.843 50.752 1.00 1.00 H new ATOM 262 N ILE A 18 67.701 21.777 44.099 1.00 1.00 N ATOM 263 CA ILE A 18 68.955 21.471 43.473 1.00 1.00 C ATOM 264 C ILE A 18 69.194 22.502 42.413 1.00 1.00 C ATOM 265 O ILE A 18 68.288 23.224 42.003 1.00 1.00 O ATOM 266 CB ILE A 18 69.079 20.089 42.882 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.965 19.743 41.875 1.00 1.00 C ATOM 268 CG2 ILE A 18 69.141 19.048 44.015 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.332 18.528 41.023 1.00 1.00 C ATOM 0 H ILE A 18 67.025 22.126 43.419 1.00 1.00 H new ATOM 0 HA ILE A 18 69.707 21.489 44.262 1.00 1.00 H new ATOM 0 HB ILE A 18 70.005 20.070 42.308 1.00 1.00 H new ATOM 0 HG12 ILE A 18 67.038 19.544 42.412 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.781 20.600 41.227 1.00 1.00 H new ATOM 0 HG21 ILE A 18 69.231 18.049 43.587 1.00 1.00 H new ATOM 0 HG22 ILE A 18 70.005 19.250 44.648 1.00 1.00 H new ATOM 0 HG23 ILE A 18 68.231 19.106 44.613 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.522 18.315 40.325 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.245 18.737 40.466 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.490 17.665 41.669 1.00 1.00 H new ATOM 281 N ASN A 19 70.441 22.688 41.947 1.00 1.00 N ATOM 282 CA ASN A 19 70.745 23.561 40.850 1.00 1.00 C ATOM 283 C ASN A 19 71.326 22.742 39.741 1.00 1.00 C ATOM 284 O ASN A 19 72.019 21.753 39.968 1.00 1.00 O ATOM 285 CB ASN A 19 71.730 24.696 41.193 1.00 1.00 C ATOM 286 CG ASN A 19 71.180 25.666 42.230 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.764 26.774 41.896 1.00 1.00 O ATOM 288 ND2 ASN A 19 71.224 25.282 43.532 1.00 1.00 N ATOM 0 H ASN A 19 71.259 22.222 42.340 1.00 1.00 H new ATOM 0 HA ASN A 19 69.809 24.043 40.568 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.659 24.264 41.564 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.975 25.245 40.284 1.00 1.00 H new ATOM 0 HD21 ASN A 19 70.907 25.919 44.263 1.00 1.00 H new ATOM 0 HD22 ASN A 19 71.574 24.356 43.779 1.00 1.00 H new ATOM 295 N LEU A 20 71.044 23.084 38.472 1.00 1.00 N ATOM 296 CA LEU A 20 71.671 22.429 37.359 1.00 1.00 C ATOM 297 C LEU A 20 72.262 23.491 36.485 1.00 1.00 C ATOM 298 O LEU A 20 71.765 24.614 36.471 1.00 1.00 O ATOM 299 CB LEU A 20 70.717 21.480 36.601 1.00 1.00 C ATOM 300 CG LEU A 20 69.864 22.046 35.450 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.143 20.915 34.698 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.815 23.088 35.872 1.00 1.00 C ATOM 0 H LEU A 20 70.381 23.815 38.213 1.00 1.00 H new ATOM 0 HA LEU A 20 72.461 21.769 37.717 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.316 20.664 36.197 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.036 21.044 37.332 1.00 1.00 H new ATOM 0 HG LEU A 20 70.582 22.557 34.809 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.547 21.338 33.890 1.00 1.00 H new ATOM 0 HD12 LEU A 20 69.879 20.226 34.284 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.491 20.378 35.387 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.265 23.427 34.994 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.122 22.639 36.583 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.313 23.938 36.339 1.00 1.00 H new ATOM 314 N LYS A 21 73.354 23.238 35.745 1.00 1.00 N ATOM 315 CA LYS A 21 73.901 24.104 34.742 1.00 1.00 C ATOM 316 C LYS A 21 73.817 23.473 33.390 1.00 1.00 C ATOM 317 O LYS A 21 73.875 22.255 33.227 1.00 1.00 O ATOM 318 CB LYS A 21 75.352 24.523 35.058 1.00 1.00 C ATOM 319 CG LYS A 21 76.434 23.510 34.665 1.00 1.00 C ATOM 320 CD LYS A 21 77.838 23.850 35.175 1.00 1.00 C ATOM 321 CE LYS A 21 78.072 23.449 36.632 1.00 1.00 C ATOM 322 NZ LYS A 21 79.478 23.715 37.004 1.00 1.00 N ATOM 0 H LYS A 21 73.890 22.377 35.852 1.00 1.00 H new ATOM 0 HA LYS A 21 73.297 25.011 34.742 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.559 25.464 34.549 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.431 24.715 36.128 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.151 22.529 35.046 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.465 23.433 33.578 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.575 23.351 34.546 1.00 1.00 H new ATOM 0 HD3 LYS A 21 78.004 24.922 35.070 1.00 1.00 H new ATOM 0 HE2 LYS A 21 77.401 24.008 37.285 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.843 22.392 36.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 79.633 23.441 37.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 80.110 23.163 36.390 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.682 24.728 36.889 1.00 1.00 H new ATOM 336 N VAL A 22 73.667 24.318 32.355 1.00 1.00 N ATOM 337 CA VAL A 22 73.652 23.925 30.976 1.00 1.00 C ATOM 338 C VAL A 22 74.794 24.631 30.320 1.00 1.00 C ATOM 339 O VAL A 22 74.907 25.854 30.391 1.00 1.00 O ATOM 340 CB VAL A 22 72.355 24.255 30.286 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.460 24.170 28.755 1.00 1.00 C ATOM 342 CG2 VAL A 22 71.289 23.241 30.734 1.00 1.00 C ATOM 0 H VAL A 22 73.551 25.323 32.483 1.00 1.00 H new ATOM 0 HA VAL A 22 73.749 22.842 30.904 1.00 1.00 H new ATOM 0 HB VAL A 22 72.096 25.279 30.556 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.496 24.418 28.310 1.00 1.00 H new ATOM 0 HG12 VAL A 22 73.214 24.874 28.402 1.00 1.00 H new ATOM 0 HG13 VAL A 22 72.744 23.158 28.465 1.00 1.00 H new ATOM 0 HG21 VAL A 22 70.343 23.467 30.242 1.00 1.00 H new ATOM 0 HG22 VAL A 22 71.608 22.234 30.463 1.00 1.00 H new ATOM 0 HG23 VAL A 22 71.160 23.302 31.815 1.00 1.00 H new ATOM 352 N ALA A 23 75.699 23.861 29.689 1.00 1.00 N ATOM 353 CA ALA A 23 76.915 24.366 29.123 1.00 1.00 C ATOM 354 C ALA A 23 77.010 24.095 27.654 1.00 1.00 C ATOM 355 O ALA A 23 76.838 22.975 27.173 1.00 1.00 O ATOM 356 CB ALA A 23 78.101 23.700 29.839 1.00 1.00 C ATOM 0 H ALA A 23 75.582 22.855 29.568 1.00 1.00 H new ATOM 0 HA ALA A 23 76.930 25.447 29.258 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.035 24.074 29.420 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.061 23.934 30.903 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.048 22.620 29.703 1.00 1.00 H new ATOM 362 N GLY A 24 77.324 25.148 26.878 1.00 1.00 N ATOM 363 CA GLY A 24 77.507 25.079 25.459 1.00 1.00 C ATOM 364 C GLY A 24 78.907 24.761 25.053 1.00 1.00 C ATOM 365 O GLY A 24 79.822 24.617 25.863 1.00 1.00 O ATOM 0 H GLY A 24 77.456 26.087 27.254 1.00 1.00 H new ATOM 0 HA2 GLY A 24 76.838 24.321 25.051 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.217 26.032 25.017 1.00 1.00 H new ATOM 416 N VAL A 29 78.009 29.095 29.899 1.00 1.00 N ATOM 417 CA VAL A 29 77.233 28.280 30.788 1.00 1.00 C ATOM 418 C VAL A 29 76.209 29.119 31.487 1.00 1.00 C ATOM 419 O VAL A 29 76.455 30.285 31.791 1.00 1.00 O ATOM 420 CB VAL A 29 78.152 27.566 31.748 1.00 1.00 C ATOM 421 CG1 VAL A 29 78.958 28.536 32.632 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.388 26.551 32.615 1.00 1.00 C ATOM 0 HA VAL A 29 76.691 27.519 30.227 1.00 1.00 H new ATOM 0 HB VAL A 29 78.868 27.022 31.132 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.602 27.967 33.303 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.570 29.180 32.001 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.273 29.148 33.219 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.083 26.057 33.294 1.00 1.00 H new ATOM 0 HG22 VAL A 29 76.623 27.069 33.193 1.00 1.00 H new ATOM 0 HG23 VAL A 29 76.916 25.807 31.973 1.00 1.00 H new ATOM 432 N VAL A 30 74.975 28.618 31.691 1.00 1.00 N ATOM 433 CA VAL A 30 74.017 29.213 32.584 1.00 1.00 C ATOM 434 C VAL A 30 73.466 28.186 33.525 1.00 1.00 C ATOM 435 O VAL A 30 73.235 27.041 33.138 1.00 1.00 O ATOM 436 CB VAL A 30 72.988 30.084 31.908 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.727 29.340 31.443 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.492 31.181 32.862 1.00 1.00 C ATOM 0 H VAL A 30 74.632 27.778 31.225 1.00 1.00 H new ATOM 0 HA VAL A 30 74.551 29.939 33.197 1.00 1.00 H new ATOM 0 HB VAL A 30 73.512 30.479 31.038 1.00 1.00 H new ATOM 0 HG11 VAL A 30 71.043 30.044 30.969 1.00 1.00 H new ATOM 0 HG12 VAL A 30 72.004 28.566 30.728 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.237 28.882 32.302 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.751 31.797 32.354 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.041 30.722 33.741 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.332 31.804 33.169 1.00 1.00 H new ATOM 448 N GLN A 31 73.287 28.516 34.818 1.00 1.00 N ATOM 449 CA GLN A 31 72.771 27.625 35.819 1.00 1.00 C ATOM 450 C GLN A 31 71.486 28.086 36.434 1.00 1.00 C ATOM 451 O GLN A 31 71.180 29.267 36.593 1.00 1.00 O ATOM 452 CB GLN A 31 73.837 27.332 36.890 1.00 1.00 C ATOM 453 CG GLN A 31 73.950 28.277 38.093 1.00 1.00 C ATOM 454 CD GLN A 31 73.375 27.675 39.371 1.00 1.00 C ATOM 455 OE1 GLN A 31 74.088 27.062 40.165 1.00 1.00 O ATOM 456 NE2 GLN A 31 72.049 27.867 39.588 1.00 1.00 N ATOM 0 H GLN A 31 73.510 29.442 35.183 1.00 1.00 H new ATOM 0 HA GLN A 31 72.527 26.696 35.304 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.653 26.329 37.274 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.807 27.311 36.394 1.00 1.00 H new ATOM 0 HG2 GLN A 31 74.998 28.529 38.255 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.429 29.208 37.869 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.490 28.381 38.907 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.612 27.498 40.432 1.00 1.00 H new ATOM 465 N PHE A 32 70.648 27.120 36.844 1.00 1.00 N ATOM 466 CA PHE A 32 69.257 27.318 37.114 1.00 1.00 C ATOM 467 C PHE A 32 68.914 26.535 38.345 1.00 1.00 C ATOM 468 O PHE A 32 69.403 25.425 38.544 1.00 1.00 O ATOM 469 CB PHE A 32 68.383 26.808 35.949 1.00 1.00 C ATOM 470 CG PHE A 32 68.916 26.917 34.557 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.879 26.031 34.111 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.327 27.754 33.626 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.283 26.011 32.790 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.708 27.734 32.298 1.00 1.00 C ATOM 475 CZ PHE A 32 69.684 26.852 31.874 1.00 1.00 C ATOM 0 H PHE A 32 70.952 26.158 36.994 1.00 1.00 H new ATOM 0 HA PHE A 32 69.067 28.383 37.245 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.160 25.758 36.137 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.436 27.347 35.985 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.325 25.340 34.810 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.553 28.437 33.944 1.00 1.00 H new ATOM 0 HE1 PHE A 32 71.067 25.338 32.474 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.244 28.407 31.592 1.00 1.00 H new ATOM 0 HZ PHE A 32 69.976 26.821 30.835 1.00 1.00 H new ATOM 485 N LYS A 33 68.067 27.084 39.233 1.00 1.00 N ATOM 486 CA LYS A 33 67.691 26.531 40.502 1.00 1.00 C ATOM 487 C LYS A 33 66.321 25.939 40.462 1.00 1.00 C ATOM 488 O LYS A 33 65.326 26.641 40.281 1.00 1.00 O ATOM 489 CB LYS A 33 67.572 27.660 41.536 1.00 1.00 C ATOM 490 CG LYS A 33 67.606 27.183 42.992 1.00 1.00 C ATOM 491 CD LYS A 33 66.731 28.032 43.919 1.00 1.00 C ATOM 492 CE LYS A 33 65.238 27.725 43.782 1.00 1.00 C ATOM 493 NZ LYS A 33 64.437 28.709 44.539 1.00 1.00 N ATOM 0 H LYS A 33 67.611 27.979 39.053 1.00 1.00 H new ATOM 0 HA LYS A 33 68.446 25.785 40.747 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.385 28.369 41.378 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.641 28.199 41.363 1.00 1.00 H new ATOM 0 HG2 LYS A 33 67.274 26.146 43.037 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.635 27.204 43.352 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.037 27.865 44.952 1.00 1.00 H new ATOM 0 HD3 LYS A 33 66.900 29.087 43.703 1.00 1.00 H new ATOM 0 HE2 LYS A 33 64.951 27.745 42.731 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.032 26.720 44.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 63.507 28.822 44.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 64.308 28.374 45.515 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 64.931 29.624 44.549 1.00 1.00 H new ATOM 507 N ILE A 34 66.263 24.612 40.663 1.00 1.00 N ATOM 508 CA ILE A 34 65.245 23.746 40.151 1.00 1.00 C ATOM 509 C ILE A 34 64.927 22.689 41.151 1.00 1.00 C ATOM 510 O ILE A 34 65.652 22.368 42.090 1.00 1.00 O ATOM 511 CB ILE A 34 65.581 23.163 38.804 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.587 22.176 38.159 1.00 1.00 C ATOM 513 CG2 ILE A 34 67.007 22.590 38.860 1.00 1.00 C ATOM 514 CD1 ILE A 34 64.762 22.027 36.648 1.00 1.00 C ATOM 0 H ILE A 34 66.964 24.115 41.213 1.00 1.00 H new ATOM 0 HA ILE A 34 64.355 24.353 39.985 1.00 1.00 H new ATOM 0 HB ILE A 34 65.501 24.004 38.115 1.00 1.00 H new ATOM 0 HG12 ILE A 34 64.704 21.199 38.627 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.570 22.510 38.367 1.00 1.00 H new ATOM 0 HG21 ILE A 34 67.266 22.163 37.891 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.710 23.386 39.105 1.00 1.00 H new ATOM 0 HG23 ILE A 34 67.057 21.814 39.623 1.00 1.00 H new ATOM 0 HD11 ILE A 34 64.029 21.317 36.265 1.00 1.00 H new ATOM 0 HD12 ILE A 34 64.616 22.994 36.168 1.00 1.00 H new ATOM 0 HD13 ILE A 34 65.766 21.663 36.432 1.00 1.00 H new ATOM 526 N LYS A 35 63.684 22.215 40.993 1.00 1.00 N ATOM 527 CA LYS A 35 63.132 21.192 41.832 1.00 1.00 C ATOM 528 C LYS A 35 62.865 19.956 41.034 1.00 1.00 C ATOM 529 O LYS A 35 62.723 19.973 39.813 1.00 1.00 O ATOM 530 CB LYS A 35 61.922 21.641 42.671 1.00 1.00 C ATOM 531 CG LYS A 35 62.261 22.728 43.699 1.00 1.00 C ATOM 532 CD LYS A 35 62.294 24.162 43.157 1.00 1.00 C ATOM 533 CE LYS A 35 60.946 24.533 42.541 1.00 1.00 C ATOM 534 NZ LYS A 35 60.850 25.984 42.275 1.00 1.00 N ATOM 0 H LYS A 35 63.045 22.545 40.270 1.00 1.00 H new ATOM 0 HA LYS A 35 63.889 20.959 42.581 1.00 1.00 H new ATOM 0 HB2 LYS A 35 61.145 22.013 42.003 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.509 20.776 43.191 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.531 22.680 44.507 1.00 1.00 H new ATOM 0 HG3 LYS A 35 63.234 22.500 44.135 1.00 1.00 H new ATOM 0 HD2 LYS A 35 62.536 24.856 43.962 1.00 1.00 H new ATOM 0 HD3 LYS A 35 63.081 24.256 42.408 1.00 1.00 H new ATOM 0 HE2 LYS A 35 60.806 23.982 41.611 1.00 1.00 H new ATOM 0 HE3 LYS A 35 60.143 24.232 43.214 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 59.849 26.264 42.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 61.327 26.509 43.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 61.306 26.201 41.366 1.00 1.00 H new ATOM 548 N ARG A 36 62.883 18.801 41.721 1.00 1.00 N ATOM 549 CA ARG A 36 63.095 17.513 41.120 1.00 1.00 C ATOM 550 C ARG A 36 62.035 17.053 40.166 1.00 1.00 C ATOM 551 O ARG A 36 62.331 16.469 39.124 1.00 1.00 O ATOM 552 CB ARG A 36 63.399 16.428 42.171 1.00 1.00 C ATOM 553 CG ARG A 36 64.668 16.717 42.986 1.00 1.00 C ATOM 554 CD ARG A 36 65.034 15.664 44.036 1.00 1.00 C ATOM 555 NE ARG A 36 64.008 15.737 45.115 1.00 1.00 N ATOM 556 CZ ARG A 36 64.061 15.021 46.266 1.00 1.00 C ATOM 557 NH1 ARG A 36 65.114 14.235 46.596 1.00 1.00 N ATOM 558 NH2 ARG A 36 63.038 15.104 47.152 1.00 1.00 N ATOM 0 H ARG A 36 62.746 18.757 42.731 1.00 1.00 H new ATOM 0 HA ARG A 36 63.977 17.667 40.498 1.00 1.00 H new ATOM 0 HB2 ARG A 36 62.551 16.340 42.850 1.00 1.00 H new ATOM 0 HB3 ARG A 36 63.507 15.466 41.670 1.00 1.00 H new ATOM 0 HG2 ARG A 36 65.505 16.822 42.296 1.00 1.00 H new ATOM 0 HG3 ARG A 36 64.545 17.677 43.488 1.00 1.00 H new ATOM 0 HD2 ARG A 36 65.054 14.669 43.591 1.00 1.00 H new ATOM 0 HD3 ARG A 36 66.029 15.853 44.439 1.00 1.00 H new ATOM 0 HE ARG A 36 63.216 16.365 44.979 1.00 1.00 H new ATOM 0 HH11 ARG A 36 65.914 14.163 45.967 1.00 1.00 H new ATOM 0 HH12 ARG A 36 65.107 13.715 47.474 1.00 1.00 H new ATOM 0 HH21 ARG A 36 62.236 15.702 46.951 1.00 1.00 H new ATOM 0 HH22 ARG A 36 63.070 14.569 48.020 1.00 1.00 H new ATOM 572 N HIS A 37 60.753 17.333 40.461 1.00 1.00 N ATOM 573 CA HIS A 37 59.644 17.039 39.598 1.00 1.00 C ATOM 574 C HIS A 37 59.351 18.114 38.597 1.00 1.00 C ATOM 575 O HIS A 37 58.330 18.065 37.913 1.00 1.00 O ATOM 576 CB HIS A 37 58.360 16.791 40.414 1.00 1.00 C ATOM 577 CG HIS A 37 58.376 15.504 41.186 1.00 1.00 C ATOM 578 ND1 HIS A 37 58.181 14.298 40.567 1.00 1.00 N ATOM 579 CD2 HIS A 37 58.489 15.248 42.516 1.00 1.00 C ATOM 580 CE1 HIS A 37 58.173 13.342 41.478 1.00 1.00 C ATOM 581 NE2 HIS A 37 58.357 13.892 42.665 1.00 1.00 N ATOM 0 H HIS A 37 60.475 17.782 41.334 1.00 1.00 H new ATOM 0 HA HIS A 37 59.945 16.143 39.055 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.215 17.619 41.108 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.505 16.788 39.738 1.00 1.00 H new ATOM 0 HD2 HIS A 37 58.651 15.971 43.301 1.00 1.00 H new ATOM 0 HE1 HIS A 37 58.039 12.288 41.285 1.00 1.00 H new ATOM 0 HE2 HIS A 37 58.395 13.388 43.551 1.00 1.00 H new ATOM 590 N THR A 38 60.213 19.134 38.426 1.00 1.00 N ATOM 591 CA THR A 38 60.021 20.170 37.449 1.00 1.00 C ATOM 592 C THR A 38 60.715 19.760 36.188 1.00 1.00 C ATOM 593 O THR A 38 61.917 19.507 36.264 1.00 1.00 O ATOM 594 CB THR A 38 60.574 21.496 37.900 1.00 1.00 C ATOM 595 OG1 THR A 38 59.851 21.987 39.021 1.00 1.00 O ATOM 596 CG2 THR A 38 60.452 22.579 36.814 1.00 1.00 C ATOM 0 H THR A 38 61.064 19.244 38.978 1.00 1.00 H new ATOM 0 HA THR A 38 58.949 20.297 37.297 1.00 1.00 H new ATOM 0 HB THR A 38 61.622 21.311 38.138 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.226 22.848 39.300 1.00 1.00 H new ATOM 0 HG21 THR A 38 60.864 23.516 37.187 1.00 1.00 H new ATOM 0 HG22 THR A 38 61.003 22.268 35.926 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.402 22.721 36.558 1.00 1.00 H new ATOM 604 N PRO A 39 60.117 19.629 35.032 1.00 1.00 N ATOM 605 CA PRO A 39 60.783 19.140 33.852 1.00 1.00 C ATOM 606 C PRO A 39 61.898 19.996 33.338 1.00 1.00 C ATOM 607 O PRO A 39 61.962 21.198 33.595 1.00 1.00 O ATOM 608 CB PRO A 39 59.676 19.005 32.805 1.00 1.00 C ATOM 609 CG PRO A 39 58.619 20.024 33.250 1.00 1.00 C ATOM 610 CD PRO A 39 58.714 19.932 34.779 1.00 1.00 C ATOM 0 HA PRO A 39 61.285 18.202 34.090 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.045 19.224 31.803 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.270 17.994 32.781 1.00 1.00 H new ATOM 0 HG2 PRO A 39 58.841 21.027 32.887 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.624 19.766 32.886 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.417 20.867 35.254 1.00 1.00 H new ATOM 0 HD3 PRO A 39 58.061 19.153 35.173 1.00 1.00 H new ATOM 618 N LEU A 40 62.811 19.389 32.556 1.00 1.00 N ATOM 619 CA LEU A 40 63.940 20.043 31.958 1.00 1.00 C ATOM 620 C LEU A 40 63.605 21.116 30.972 1.00 1.00 C ATOM 621 O LEU A 40 64.357 22.064 30.755 1.00 1.00 O ATOM 622 CB LEU A 40 65.124 19.139 31.585 1.00 1.00 C ATOM 623 CG LEU A 40 64.935 18.221 30.368 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.722 18.738 29.154 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.416 16.823 30.785 1.00 1.00 C ATOM 0 H LEU A 40 62.761 18.396 32.329 1.00 1.00 H new ATOM 0 HA LEU A 40 64.353 20.606 32.795 1.00 1.00 H new ATOM 0 HB2 LEU A 40 65.991 19.773 31.401 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.361 18.516 32.447 1.00 1.00 H new ATOM 0 HG LEU A 40 63.888 18.194 30.066 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.568 18.067 28.308 1.00 1.00 H new ATOM 0 HD12 LEU A 40 65.373 19.737 28.893 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.784 18.777 29.398 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.300 16.134 29.948 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.466 16.871 31.073 1.00 1.00 H new ATOM 0 HD23 LEU A 40 64.823 16.471 31.630 1.00 1.00 H new ATOM 637 N SER A 41 62.419 21.032 30.345 1.00 1.00 N ATOM 638 CA SER A 41 61.862 22.071 29.524 1.00 1.00 C ATOM 639 C SER A 41 61.796 23.416 30.184 1.00 1.00 C ATOM 640 O SER A 41 61.887 24.442 29.511 1.00 1.00 O ATOM 641 CB SER A 41 60.453 21.684 29.029 1.00 1.00 C ATOM 642 OG SER A 41 59.553 21.446 30.105 1.00 1.00 O ATOM 0 H SER A 41 61.821 20.208 30.410 1.00 1.00 H new ATOM 0 HA SER A 41 62.553 22.165 28.686 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.060 22.481 28.398 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.520 20.790 28.409 1.00 1.00 H new ATOM 0 HG SER A 41 58.673 21.206 29.748 1.00 1.00 H new ATOM 648 N LYS A 42 61.663 23.502 31.522 1.00 1.00 N ATOM 649 CA LYS A 42 61.520 24.756 32.203 1.00 1.00 C ATOM 650 C LYS A 42 62.777 25.571 32.195 1.00 1.00 C ATOM 651 O LYS A 42 62.776 26.769 31.921 1.00 1.00 O ATOM 652 CB LYS A 42 61.035 24.506 33.644 1.00 1.00 C ATOM 653 CG LYS A 42 60.705 25.751 34.475 1.00 1.00 C ATOM 654 CD LYS A 42 59.645 26.687 33.884 1.00 1.00 C ATOM 655 CE LYS A 42 60.175 28.117 33.744 1.00 1.00 C ATOM 656 NZ LYS A 42 59.175 29.031 33.154 1.00 1.00 N ATOM 0 H LYS A 42 61.654 22.691 32.140 1.00 1.00 H new ATOM 0 HA LYS A 42 60.777 25.342 31.662 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.146 23.877 33.601 1.00 1.00 H new ATOM 0 HB3 LYS A 42 61.802 23.937 34.169 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.368 25.428 35.460 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.623 26.320 34.622 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.334 26.316 32.907 1.00 1.00 H new ATOM 0 HD3 LYS A 42 58.761 26.686 34.522 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.471 28.490 34.725 1.00 1.00 H new ATOM 0 HE3 LYS A 42 61.070 28.111 33.122 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 59.579 29.986 33.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.911 28.692 32.207 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.330 29.059 33.760 1.00 1.00 H new ATOM 670 N LEU A 43 63.934 24.928 32.439 1.00 1.00 N ATOM 671 CA LEU A 43 65.213 25.565 32.301 1.00 1.00 C ATOM 672 C LEU A 43 65.572 25.876 30.880 1.00 1.00 C ATOM 673 O LEU A 43 66.229 26.877 30.604 1.00 1.00 O ATOM 674 CB LEU A 43 66.358 24.814 33.006 1.00 1.00 C ATOM 675 CG LEU A 43 66.685 23.410 32.472 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.169 23.267 32.100 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.195 22.328 33.445 1.00 1.00 C ATOM 0 H LEU A 43 63.985 23.954 32.736 1.00 1.00 H new ATOM 0 HA LEU A 43 65.092 26.516 32.819 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.259 25.424 32.938 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.110 24.728 34.064 1.00 1.00 H new ATOM 0 HG LEU A 43 66.138 23.264 31.541 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.355 22.260 31.727 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.422 23.992 31.327 1.00 1.00 H new ATOM 0 HD13 LEU A 43 68.784 23.447 32.982 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.437 21.343 33.046 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.684 22.459 34.411 1.00 1.00 H new ATOM 0 HD23 LEU A 43 65.116 22.413 33.570 1.00 1.00 H new ATOM 689 N MET A 44 65.118 25.068 29.904 1.00 1.00 N ATOM 690 CA MET A 44 65.295 25.333 28.504 1.00 1.00 C ATOM 691 C MET A 44 64.643 26.604 28.055 1.00 1.00 C ATOM 692 O MET A 44 65.252 27.428 27.373 1.00 1.00 O ATOM 693 CB MET A 44 64.803 24.119 27.692 1.00 1.00 C ATOM 694 CG MET A 44 65.075 24.192 26.185 1.00 1.00 C ATOM 695 SD MET A 44 64.408 22.774 25.263 1.00 1.00 S ATOM 696 CE MET A 44 65.658 21.550 25.748 1.00 1.00 C ATOM 0 H MET A 44 64.612 24.203 30.092 1.00 1.00 H new ATOM 0 HA MET A 44 66.360 25.483 28.324 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.276 23.221 28.088 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.730 24.009 27.847 1.00 1.00 H new ATOM 0 HG2 MET A 44 64.641 25.110 25.789 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.151 24.250 26.020 1.00 1.00 H new ATOM 0 HE1 MET A 44 65.547 20.655 25.136 1.00 1.00 H new ATOM 0 HE2 MET A 44 66.654 21.969 25.601 1.00 1.00 H new ATOM 0 HE3 MET A 44 65.525 21.290 26.798 1.00 1.00 H new ATOM 706 N LYS A 45 63.402 26.868 28.506 1.00 1.00 N ATOM 707 CA LYS A 45 62.727 28.120 28.317 1.00 1.00 C ATOM 708 C LYS A 45 63.435 29.283 28.941 1.00 1.00 C ATOM 709 O LYS A 45 63.584 30.344 28.337 1.00 1.00 O ATOM 710 CB LYS A 45 61.296 28.001 28.878 1.00 1.00 C ATOM 711 CG LYS A 45 60.393 29.239 28.789 1.00 1.00 C ATOM 712 CD LYS A 45 59.718 29.494 27.436 1.00 1.00 C ATOM 713 CE LYS A 45 60.635 30.007 26.322 1.00 1.00 C ATOM 714 NZ LYS A 45 59.836 30.561 25.208 1.00 1.00 N ATOM 0 H LYS A 45 62.847 26.185 29.022 1.00 1.00 H new ATOM 0 HA LYS A 45 62.710 28.323 27.246 1.00 1.00 H new ATOM 0 HB2 LYS A 45 60.798 27.183 28.357 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.369 27.713 29.927 1.00 1.00 H new ATOM 0 HG2 LYS A 45 59.615 29.150 29.548 1.00 1.00 H new ATOM 0 HG3 LYS A 45 60.989 30.115 29.044 1.00 1.00 H new ATOM 0 HD2 LYS A 45 59.255 28.566 27.101 1.00 1.00 H new ATOM 0 HD3 LYS A 45 58.915 30.217 27.582 1.00 1.00 H new ATOM 0 HE2 LYS A 45 61.302 30.774 26.716 1.00 1.00 H new ATOM 0 HE3 LYS A 45 61.264 29.195 25.958 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 60.473 30.904 24.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 59.218 29.819 24.822 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 59.254 31.350 25.557 1.00 1.00 H new ATOM 728 N ALA A 46 63.953 29.114 30.172 1.00 1.00 N ATOM 729 CA ALA A 46 64.710 30.103 30.884 1.00 1.00 C ATOM 730 C ALA A 46 66.014 30.468 30.240 1.00 1.00 C ATOM 731 O ALA A 46 66.425 31.626 30.228 1.00 1.00 O ATOM 732 CB ALA A 46 64.937 29.628 32.329 1.00 1.00 C ATOM 0 H ALA A 46 63.839 28.247 30.697 1.00 1.00 H new ATOM 0 HA ALA A 46 64.117 31.017 30.867 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.512 30.378 32.872 1.00 1.00 H new ATOM 0 HB2 ALA A 46 63.975 29.483 32.820 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.485 28.686 32.320 1.00 1.00 H new ATOM 738 N TYR A 47 66.713 29.485 29.642 1.00 1.00 N ATOM 739 CA TYR A 47 67.928 29.648 28.893 1.00 1.00 C ATOM 740 C TYR A 47 67.734 30.548 27.713 1.00 1.00 C ATOM 741 O TYR A 47 68.511 31.466 27.460 1.00 1.00 O ATOM 742 CB TYR A 47 68.414 28.257 28.436 1.00 1.00 C ATOM 743 CG TYR A 47 69.804 28.143 27.894 1.00 1.00 C ATOM 744 CD1 TYR A 47 70.826 29.025 28.197 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.098 27.046 27.102 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.112 28.815 27.732 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.381 26.820 26.639 1.00 1.00 C ATOM 748 CZ TYR A 47 72.392 27.710 26.950 1.00 1.00 C ATOM 749 OH TYR A 47 73.683 27.513 26.415 1.00 1.00 O ATOM 0 H TYR A 47 66.411 28.512 29.683 1.00 1.00 H new ATOM 0 HA TYR A 47 68.677 30.117 29.532 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.329 27.578 29.285 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.726 27.898 27.670 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.616 29.892 28.806 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.311 26.354 26.841 1.00 1.00 H new ATOM 0 HE1 TYR A 47 72.897 29.514 27.980 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.593 25.950 26.036 1.00 1.00 H new ATOM 0 HH TYR A 47 74.349 27.909 27.014 1.00 1.00 H new ATOM 759 N CYS A 48 66.624 30.364 26.978 1.00 1.00 N ATOM 760 CA CYS A 48 66.200 31.217 25.906 1.00 1.00 C ATOM 761 C CYS A 48 65.893 32.620 26.327 1.00 1.00 C ATOM 762 O CYS A 48 66.303 33.570 25.662 1.00 1.00 O ATOM 763 CB CYS A 48 64.991 30.613 25.168 1.00 1.00 C ATOM 764 SG CYS A 48 65.434 29.043 24.364 1.00 1.00 S ATOM 0 H CYS A 48 65.989 29.582 27.137 1.00 1.00 H new ATOM 0 HA CYS A 48 67.053 31.278 25.231 1.00 1.00 H new ATOM 0 HB2 CYS A 48 64.176 30.447 25.873 1.00 1.00 H new ATOM 0 HB3 CYS A 48 64.627 31.318 24.421 1.00 1.00 H new ATOM 0 HG CYS A 48 66.014 29.287 23.226 1.00 1.00 H new ATOM 770 N GLU A 49 65.203 32.836 27.464 1.00 1.00 N ATOM 771 CA GLU A 49 64.966 34.153 27.987 1.00 1.00 C ATOM 772 C GLU A 49 66.203 34.882 28.409 1.00 1.00 C ATOM 773 O GLU A 49 66.389 36.050 28.068 1.00 1.00 O ATOM 774 CB GLU A 49 63.986 34.151 29.177 1.00 1.00 C ATOM 775 CG GLU A 49 62.547 33.788 28.787 1.00 1.00 C ATOM 776 CD GLU A 49 61.555 34.145 29.884 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.068 35.306 29.910 1.00 1.00 O ATOM 778 OE2 GLU A 49 61.212 33.254 30.706 1.00 1.00 O ATOM 0 H GLU A 49 64.803 32.088 28.030 1.00 1.00 H new ATOM 0 HA GLU A 49 64.529 34.682 27.140 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.340 33.444 29.927 1.00 1.00 H new ATOM 0 HB3 GLU A 49 63.990 35.137 29.642 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.277 34.310 27.869 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.486 32.720 28.576 1.00 1.00 H new ATOM 785 N ARG A 50 67.113 34.228 29.153 1.00 1.00 N ATOM 786 CA ARG A 50 68.310 34.858 29.631 1.00 1.00 C ATOM 787 C ARG A 50 69.416 35.010 28.635 1.00 1.00 C ATOM 788 O ARG A 50 70.057 36.058 28.556 1.00 1.00 O ATOM 789 CB ARG A 50 68.848 34.104 30.863 1.00 1.00 C ATOM 790 CG ARG A 50 68.161 34.613 32.133 1.00 1.00 C ATOM 791 CD ARG A 50 69.159 34.694 33.287 1.00 1.00 C ATOM 792 NE ARG A 50 68.437 35.264 34.462 1.00 1.00 N ATOM 793 CZ ARG A 50 68.960 36.168 35.329 1.00 1.00 C ATOM 794 NH1 ARG A 50 70.246 36.591 35.267 1.00 1.00 N ATOM 795 NH2 ARG A 50 68.171 36.672 36.309 1.00 1.00 N ATOM 0 H ARG A 50 67.019 33.250 29.428 1.00 1.00 H new ATOM 0 HA ARG A 50 67.998 35.873 29.876 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.673 33.034 30.749 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.926 34.244 30.942 1.00 1.00 H new ATOM 0 HG2 ARG A 50 67.728 35.596 31.950 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.340 33.948 32.401 1.00 1.00 H new ATOM 0 HD2 ARG A 50 69.555 33.706 33.522 1.00 1.00 H new ATOM 0 HD3 ARG A 50 70.008 35.322 33.017 1.00 1.00 H new ATOM 0 HE ARG A 50 67.480 34.951 34.626 1.00 1.00 H new ATOM 0 HH11 ARG A 50 70.868 36.228 34.545 1.00 1.00 H new ATOM 0 HH12 ARG A 50 70.592 37.273 35.942 1.00 1.00 H new ATOM 0 HH21 ARG A 50 67.200 36.371 36.387 1.00 1.00 H new ATOM 0 HH22 ARG A 50 68.549 37.352 36.969 1.00 1.00 H new ATOM 809 N GLN A 51 69.679 33.964 27.834 1.00 1.00 N ATOM 810 CA GLN A 51 70.868 33.857 27.038 1.00 1.00 C ATOM 811 C GLN A 51 70.564 33.911 25.572 1.00 1.00 C ATOM 812 O GLN A 51 71.467 33.821 24.742 1.00 1.00 O ATOM 813 CB GLN A 51 71.606 32.569 27.455 1.00 1.00 C ATOM 814 CG GLN A 51 72.375 32.634 28.784 1.00 1.00 C ATOM 815 CD GLN A 51 73.464 33.696 28.883 1.00 1.00 C ATOM 816 OE1 GLN A 51 73.668 34.291 29.941 1.00 1.00 O ATOM 817 NE2 GLN A 51 74.214 33.934 27.775 1.00 1.00 N ATOM 0 H GLN A 51 69.049 33.168 27.735 1.00 1.00 H new ATOM 0 HA GLN A 51 71.520 34.712 27.219 1.00 1.00 H new ATOM 0 HB2 GLN A 51 70.877 31.761 27.519 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.308 32.304 26.664 1.00 1.00 H new ATOM 0 HG2 GLN A 51 71.657 32.804 29.587 1.00 1.00 H new ATOM 0 HG3 GLN A 51 72.830 31.660 28.964 1.00 1.00 H new ATOM 0 HE21 GLN A 51 74.023 33.426 26.911 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.968 34.620 27.807 1.00 1.00 H new ATOM 826 N GLY A 52 69.296 34.148 25.180 1.00 1.00 N ATOM 827 CA GLY A 52 68.935 34.600 23.864 1.00 1.00 C ATOM 828 C GLY A 52 68.824 33.593 22.766 1.00 1.00 C ATOM 829 O GLY A 52 68.735 33.958 21.595 1.00 1.00 O ATOM 0 H GLY A 52 68.494 34.021 25.798 1.00 1.00 H new ATOM 0 HA2 GLY A 52 67.976 35.112 23.942 1.00 1.00 H new ATOM 0 HA3 GLY A 52 69.670 35.345 23.557 1.00 1.00 H new ATOM 833 N LEU A 53 68.856 32.288 23.088 1.00 1.00 N ATOM 834 CA LEU A 53 68.919 31.222 22.130 1.00 1.00 C ATOM 835 C LEU A 53 67.582 30.808 21.596 1.00 1.00 C ATOM 836 O LEU A 53 66.536 31.140 22.151 1.00 1.00 O ATOM 837 CB LEU A 53 69.634 29.998 22.732 1.00 1.00 C ATOM 838 CG LEU A 53 70.915 30.328 23.522 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.584 29.026 23.987 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.943 31.155 22.733 1.00 1.00 C ATOM 0 H LEU A 53 68.837 31.959 24.053 1.00 1.00 H new ATOM 0 HA LEU A 53 69.486 31.616 21.287 1.00 1.00 H new ATOM 0 HB2 LEU A 53 68.940 29.476 23.391 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.887 29.309 21.926 1.00 1.00 H new ATOM 0 HG LEU A 53 70.596 30.940 24.366 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.490 29.262 24.546 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.897 28.472 24.627 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.841 28.419 23.119 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.815 31.345 23.359 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.248 30.604 21.844 1.00 1.00 H new ATOM 0 HD23 LEU A 53 71.496 32.104 22.436 1.00 1.00 H new ATOM 852 N SER A 54 67.552 30.052 20.482 1.00 1.00 N ATOM 853 CA SER A 54 66.343 29.594 19.859 1.00 1.00 C ATOM 854 C SER A 54 66.090 28.157 20.188 1.00 1.00 C ATOM 855 O SER A 54 66.986 27.316 20.136 1.00 1.00 O ATOM 856 CB SER A 54 66.387 29.744 18.327 1.00 1.00 C ATOM 857 OG SER A 54 66.366 31.113 17.945 1.00 1.00 O ATOM 0 H SER A 54 68.397 29.748 19.997 1.00 1.00 H new ATOM 0 HA SER A 54 65.539 30.218 20.249 1.00 1.00 H new ATOM 0 HB2 SER A 54 67.287 29.269 17.938 1.00 1.00 H new ATOM 0 HB3 SER A 54 65.536 29.227 17.883 1.00 1.00 H new ATOM 0 HG SER A 54 66.396 31.180 16.968 1.00 1.00 H new ATOM 863 N MET A 55 64.838 27.801 20.532 1.00 1.00 N ATOM 864 CA MET A 55 64.450 26.549 21.120 1.00 1.00 C ATOM 865 C MET A 55 64.727 25.355 20.264 1.00 1.00 C ATOM 866 O MET A 55 65.148 24.294 20.720 1.00 1.00 O ATOM 867 CB MET A 55 62.945 26.545 21.459 1.00 1.00 C ATOM 868 CG MET A 55 62.491 27.801 22.209 1.00 1.00 C ATOM 869 SD MET A 55 60.958 27.612 23.170 1.00 1.00 S ATOM 870 CE MET A 55 61.670 26.612 24.509 1.00 1.00 C ATOM 0 H MET A 55 64.045 28.426 20.391 1.00 1.00 H new ATOM 0 HA MET A 55 65.063 26.466 22.018 1.00 1.00 H new ATOM 0 HB2 MET A 55 62.372 26.454 20.536 1.00 1.00 H new ATOM 0 HB3 MET A 55 62.718 25.667 22.064 1.00 1.00 H new ATOM 0 HG2 MET A 55 63.289 28.111 22.884 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.353 28.606 21.488 1.00 1.00 H new ATOM 0 HE1 MET A 55 61.094 26.764 25.422 1.00 1.00 H new ATOM 0 HE2 MET A 55 61.639 25.558 24.232 1.00 1.00 H new ATOM 0 HE3 MET A 55 62.704 26.913 24.678 1.00 1.00 H new ATOM 880 N ARG A 56 64.507 25.520 18.948 1.00 1.00 N ATOM 881 CA ARG A 56 64.610 24.488 17.960 1.00 1.00 C ATOM 882 C ARG A 56 65.967 24.422 17.331 1.00 1.00 C ATOM 883 O ARG A 56 66.237 23.587 16.469 1.00 1.00 O ATOM 884 CB ARG A 56 63.562 24.795 16.874 1.00 1.00 C ATOM 885 CG ARG A 56 63.675 26.202 16.275 1.00 1.00 C ATOM 886 CD ARG A 56 62.720 26.404 15.096 1.00 1.00 C ATOM 887 NE ARG A 56 63.243 27.549 14.297 1.00 1.00 N ATOM 888 CZ ARG A 56 62.742 28.811 14.300 1.00 1.00 C ATOM 889 NH1 ARG A 56 61.816 29.230 15.194 1.00 1.00 N ATOM 890 NH2 ARG A 56 63.199 29.678 13.364 1.00 1.00 N ATOM 0 H ARG A 56 64.243 26.422 18.551 1.00 1.00 H new ATOM 0 HA ARG A 56 64.440 23.524 18.439 1.00 1.00 H new ATOM 0 HB2 ARG A 56 63.659 24.062 16.073 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.566 24.672 17.300 1.00 1.00 H new ATOM 0 HG2 ARG A 56 63.460 26.942 17.046 1.00 1.00 H new ATOM 0 HG3 ARG A 56 64.699 26.374 15.945 1.00 1.00 H new ATOM 0 HD2 ARG A 56 62.665 25.502 14.486 1.00 1.00 H new ATOM 0 HD3 ARG A 56 61.710 26.611 15.450 1.00 1.00 H new ATOM 0 HE ARG A 56 64.047 27.369 13.696 1.00 1.00 H new ATOM 0 HH11 ARG A 56 61.466 28.587 15.904 1.00 1.00 H new ATOM 0 HH12 ARG A 56 61.469 30.188 15.157 1.00 1.00 H new ATOM 0 HH21 ARG A 56 63.898 29.375 12.686 1.00 1.00 H new ATOM 0 HH22 ARG A 56 62.844 30.634 13.338 1.00 1.00 H new ATOM 904 N GLN A 57 66.900 25.292 17.758 1.00 1.00 N ATOM 905 CA GLN A 57 68.259 25.262 17.300 1.00 1.00 C ATOM 906 C GLN A 57 69.113 24.436 18.209 1.00 1.00 C ATOM 907 O GLN A 57 70.123 23.883 17.779 1.00 1.00 O ATOM 908 CB GLN A 57 68.823 26.695 17.239 1.00 1.00 C ATOM 909 CG GLN A 57 68.285 27.539 16.076 1.00 1.00 C ATOM 910 CD GLN A 57 68.808 27.059 14.728 1.00 1.00 C ATOM 911 OE1 GLN A 57 69.956 27.308 14.360 1.00 1.00 O ATOM 912 NE2 GLN A 57 67.946 26.347 13.957 1.00 1.00 N ATOM 0 H GLN A 57 66.709 26.031 18.434 1.00 1.00 H new ATOM 0 HA GLN A 57 68.271 24.815 16.306 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.595 27.202 18.176 1.00 1.00 H new ATOM 0 HB3 GLN A 57 69.909 26.642 17.162 1.00 1.00 H new ATOM 0 HG2 GLN A 57 67.196 27.502 16.076 1.00 1.00 H new ATOM 0 HG3 GLN A 57 68.568 28.581 16.224 1.00 1.00 H new ATOM 0 HE21 GLN A 57 67.001 26.157 14.290 1.00 1.00 H new ATOM 0 HE22 GLN A 57 68.244 26.002 13.044 1.00 1.00 H new ATOM 921 N ILE A 58 68.726 24.274 19.487 1.00 1.00 N ATOM 922 CA ILE A 58 69.517 23.606 20.480 1.00 1.00 C ATOM 923 C ILE A 58 68.785 22.427 21.038 1.00 1.00 C ATOM 924 O ILE A 58 67.557 22.402 21.110 1.00 1.00 O ATOM 925 CB ILE A 58 69.939 24.518 21.604 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.746 25.165 22.337 1.00 1.00 C ATOM 927 CG2 ILE A 58 70.903 25.571 21.026 1.00 1.00 C ATOM 928 CD1 ILE A 58 69.153 26.023 23.536 1.00 1.00 C ATOM 0 H ILE A 58 67.834 24.618 19.843 1.00 1.00 H new ATOM 0 HA ILE A 58 70.422 23.270 19.973 1.00 1.00 H new ATOM 0 HB ILE A 58 70.445 23.928 22.368 1.00 1.00 H new ATOM 0 HG12 ILE A 58 68.189 25.782 21.632 1.00 1.00 H new ATOM 0 HG13 ILE A 58 68.070 24.380 22.676 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.224 26.245 21.820 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.773 25.072 20.599 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.395 26.142 20.249 1.00 1.00 H new ATOM 0 HD11 ILE A 58 68.262 26.445 24.001 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.683 25.406 24.262 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.804 26.830 23.201 1.00 1.00 H new ATOM 940 N ARG A 59 69.525 21.383 21.451 1.00 1.00 N ATOM 941 CA ARG A 59 69.020 20.281 22.218 1.00 1.00 C ATOM 942 C ARG A 59 69.986 20.013 23.327 1.00 1.00 C ATOM 943 O ARG A 59 71.162 20.360 23.242 1.00 1.00 O ATOM 944 CB ARG A 59 68.845 19.000 21.379 1.00 1.00 C ATOM 945 CG ARG A 59 67.666 19.000 20.397 1.00 1.00 C ATOM 946 CD ARG A 59 66.276 18.905 21.031 1.00 1.00 C ATOM 947 NE ARG A 59 65.873 20.288 21.410 1.00 1.00 N ATOM 948 CZ ARG A 59 64.665 20.620 21.932 1.00 1.00 C ATOM 949 NH1 ARG A 59 63.838 19.691 22.465 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.292 21.923 21.928 1.00 1.00 N ATOM 0 H ARG A 59 70.520 21.301 21.242 1.00 1.00 H new ATOM 0 HA ARG A 59 68.033 20.551 22.594 1.00 1.00 H new ATOM 0 HB2 ARG A 59 69.762 18.829 20.816 1.00 1.00 H new ATOM 0 HB3 ARG A 59 68.727 18.156 22.059 1.00 1.00 H new ATOM 0 HG2 ARG A 59 67.712 19.912 19.802 1.00 1.00 H new ATOM 0 HG3 ARG A 59 67.790 18.164 19.709 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.561 18.474 20.330 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.295 18.256 21.906 1.00 1.00 H new ATOM 0 HE ARG A 59 66.551 21.037 21.268 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.117 18.710 22.482 1.00 1.00 H new ATOM 0 HH12 ARG A 59 62.936 19.972 22.850 1.00 1.00 H new ATOM 0 HH21 ARG A 59 64.915 22.631 21.538 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.389 22.196 22.315 1.00 1.00 H new ATOM 964 N PHE A 60 69.507 19.413 24.432 1.00 1.00 N ATOM 965 CA PHE A 60 70.293 19.176 25.607 1.00 1.00 C ATOM 966 C PHE A 60 70.617 17.718 25.692 1.00 1.00 C ATOM 967 O PHE A 60 69.844 16.869 25.249 1.00 1.00 O ATOM 968 CB PHE A 60 69.542 19.548 26.900 1.00 1.00 C ATOM 969 CG PHE A 60 69.263 20.999 27.117 1.00 1.00 C ATOM 970 CD1 PHE A 60 69.815 22.030 26.376 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.419 21.314 28.169 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.507 23.348 26.665 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.110 22.627 28.470 1.00 1.00 C ATOM 974 CZ PHE A 60 68.658 23.647 27.715 1.00 1.00 C ATOM 0 H PHE A 60 68.545 19.083 24.512 1.00 1.00 H new ATOM 0 HA PHE A 60 71.186 19.795 25.524 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.592 19.013 26.908 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.121 19.182 27.748 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.492 21.804 25.565 1.00 1.00 H new ATOM 0 HD2 PHE A 60 67.995 20.519 28.765 1.00 1.00 H new ATOM 0 HE1 PHE A 60 69.930 24.144 26.070 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.445 22.855 29.290 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.424 24.676 27.945 1.00 1.00 H new ATOM 984 N ARG A 61 71.783 17.366 26.261 1.00 1.00 N ATOM 985 CA ARG A 61 72.153 15.992 26.423 1.00 1.00 C ATOM 986 C ARG A 61 72.870 15.681 27.697 1.00 1.00 C ATOM 987 O ARG A 61 73.492 16.544 28.317 1.00 1.00 O ATOM 988 CB ARG A 61 72.946 15.495 25.199 1.00 1.00 C ATOM 989 CG ARG A 61 74.351 16.073 25.003 1.00 1.00 C ATOM 990 CD ARG A 61 74.943 15.682 23.647 1.00 1.00 C ATOM 991 NE ARG A 61 76.402 15.991 23.662 1.00 1.00 N ATOM 992 CZ ARG A 61 77.182 15.874 22.557 1.00 1.00 C ATOM 993 NH1 ARG A 61 76.678 15.528 21.348 1.00 1.00 N ATOM 994 NH2 ARG A 61 78.517 16.092 22.629 1.00 1.00 N ATOM 0 H ARG A 61 72.472 18.033 26.610 1.00 1.00 H new ATOM 0 HA ARG A 61 71.213 15.444 26.493 1.00 1.00 H new ATOM 0 HB2 ARG A 61 73.032 14.411 25.268 1.00 1.00 H new ATOM 0 HB3 ARG A 61 72.362 15.713 24.305 1.00 1.00 H new ATOM 0 HG2 ARG A 61 74.311 17.159 25.082 1.00 1.00 H new ATOM 0 HG3 ARG A 61 75.004 15.719 25.800 1.00 1.00 H new ATOM 0 HD2 ARG A 61 74.782 14.621 23.455 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.448 16.230 22.845 1.00 1.00 H new ATOM 0 HE ARG A 61 76.829 16.302 24.534 1.00 1.00 H new ATOM 0 HH11 ARG A 61 75.680 15.345 21.245 1.00 1.00 H new ATOM 0 HH12 ARG A 61 77.297 15.450 20.541 1.00 1.00 H new ATOM 0 HH21 ARG A 61 78.945 16.347 23.519 1.00 1.00 H new ATOM 0 HH22 ARG A 61 79.094 16.002 21.793 1.00 1.00 H new ATOM 1008 N PHE A 62 72.786 14.411 28.137 1.00 1.00 N ATOM 1009 CA PHE A 62 73.481 13.943 29.301 1.00 1.00 C ATOM 1010 C PHE A 62 74.471 12.924 28.837 1.00 1.00 C ATOM 1011 O PHE A 62 74.111 11.812 28.459 1.00 1.00 O ATOM 1012 CB PHE A 62 72.504 13.309 30.310 1.00 1.00 C ATOM 1013 CG PHE A 62 73.185 12.616 31.447 1.00 1.00 C ATOM 1014 CD1 PHE A 62 73.901 13.322 32.398 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.162 11.234 31.513 1.00 1.00 C ATOM 1016 CE1 PHE A 62 74.579 12.654 33.402 1.00 1.00 C ATOM 1017 CE2 PHE A 62 73.832 10.559 32.517 1.00 1.00 C ATOM 1018 CZ PHE A 62 74.543 11.273 33.464 1.00 1.00 C ATOM 0 H PHE A 62 72.225 13.695 27.676 1.00 1.00 H new ATOM 0 HA PHE A 62 73.975 14.773 29.807 1.00 1.00 H new ATOM 0 HB2 PHE A 62 71.850 14.086 30.708 1.00 1.00 H new ATOM 0 HB3 PHE A 62 71.868 12.594 29.788 1.00 1.00 H new ATOM 0 HD1 PHE A 62 73.931 14.401 32.356 1.00 1.00 H new ATOM 0 HD2 PHE A 62 72.613 10.675 30.770 1.00 1.00 H new ATOM 0 HE1 PHE A 62 75.138 13.212 34.139 1.00 1.00 H new ATOM 0 HE2 PHE A 62 73.800 9.480 32.561 1.00 1.00 H new ATOM 0 HZ PHE A 62 75.069 10.753 34.251 1.00 1.00 H new ATOM 1028 N ASP A 63 75.770 13.275 28.847 1.00 1.00 N ATOM 1029 CA ASP A 63 76.850 12.387 28.527 1.00 1.00 C ATOM 1030 C ASP A 63 76.714 11.677 27.211 1.00 1.00 C ATOM 1031 O ASP A 63 77.147 10.542 27.016 1.00 1.00 O ATOM 1032 CB ASP A 63 77.074 11.476 29.753 1.00 1.00 C ATOM 1033 CG ASP A 63 78.415 10.763 29.777 1.00 1.00 C ATOM 1034 OD1 ASP A 63 79.466 11.414 29.535 1.00 1.00 O ATOM 1035 OD2 ASP A 63 78.440 9.540 30.079 1.00 1.00 O ATOM 0 H ASP A 63 76.083 14.216 29.088 1.00 1.00 H new ATOM 0 HA ASP A 63 77.757 12.963 28.344 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.981 12.077 30.657 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.280 10.730 29.784 1.00 1.00 H new ATOM 1040 N GLY A 64 76.101 12.354 26.222 1.00 1.00 N ATOM 1041 CA GLY A 64 75.826 11.832 24.913 1.00 1.00 C ATOM 1042 C GLY A 64 74.646 10.930 24.731 1.00 1.00 C ATOM 1043 O GLY A 64 74.494 10.382 23.640 1.00 1.00 O ATOM 0 H GLY A 64 75.780 13.315 26.339 1.00 1.00 H new ATOM 0 HA2 GLY A 64 75.701 12.680 24.239 1.00 1.00 H new ATOM 0 HA3 GLY A 64 76.711 11.289 24.581 1.00 1.00 H new ATOM 1047 N GLN A 65 73.781 10.695 25.736 1.00 1.00 N ATOM 1048 CA GLN A 65 72.591 9.903 25.598 1.00 1.00 C ATOM 1049 C GLN A 65 71.494 10.824 26.033 1.00 1.00 C ATOM 1050 O GLN A 65 71.906 11.693 26.803 1.00 1.00 O ATOM 1051 CB GLN A 65 72.715 8.599 26.412 1.00 1.00 C ATOM 1052 CG GLN A 65 72.903 8.778 27.925 1.00 1.00 C ATOM 1053 CD GLN A 65 72.910 7.423 28.618 1.00 1.00 C ATOM 1054 OE1 GLN A 65 71.890 6.941 29.111 1.00 1.00 O ATOM 1055 NE2 GLN A 65 74.097 6.764 28.640 1.00 1.00 N ATOM 0 H GLN A 65 73.912 11.067 26.676 1.00 1.00 H new ATOM 0 HA GLN A 65 72.396 9.548 24.586 1.00 1.00 H new ATOM 0 HB2 GLN A 65 71.820 8.000 26.243 1.00 1.00 H new ATOM 0 HB3 GLN A 65 73.559 8.028 26.024 1.00 1.00 H new ATOM 0 HG2 GLN A 65 73.839 9.301 28.123 1.00 1.00 H new ATOM 0 HG3 GLN A 65 72.101 9.396 28.328 1.00 1.00 H new ATOM 0 HE21 GLN A 65 74.925 7.190 28.223 1.00 1.00 H new ATOM 0 HE22 GLN A 65 74.161 5.843 29.074 1.00 1.00 H new ATOM 1064 N PRO A 66 70.223 10.826 25.676 1.00 1.00 N ATOM 1065 CA PRO A 66 69.446 11.715 26.495 1.00 1.00 C ATOM 1066 C PRO A 66 69.648 13.174 26.283 1.00 1.00 C ATOM 1067 O PRO A 66 70.560 13.551 25.551 1.00 1.00 O ATOM 1068 CB PRO A 66 69.203 10.916 27.776 1.00 1.00 C ATOM 1069 CG PRO A 66 69.119 9.474 27.236 1.00 1.00 C ATOM 1070 CD PRO A 66 69.516 9.556 25.751 1.00 1.00 C ATOM 0 HA PRO A 66 68.432 12.030 26.250 1.00 1.00 H new ATOM 0 HB2 PRO A 66 70.014 11.037 28.494 1.00 1.00 H new ATOM 0 HB3 PRO A 66 68.284 11.219 28.279 1.00 1.00 H new ATOM 0 HG2 PRO A 66 69.790 8.812 27.784 1.00 1.00 H new ATOM 0 HG3 PRO A 66 68.112 9.072 27.350 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.152 8.721 25.456 1.00 1.00 H new ATOM 0 HD3 PRO A 66 68.644 9.539 25.098 1.00 1.00 H new ATOM 1078 N ILE A 67 68.714 14.078 26.594 1.00 1.00 N ATOM 1079 CA ILE A 67 67.544 14.082 27.418 1.00 1.00 C ATOM 1080 C ILE A 67 66.332 14.479 26.633 1.00 1.00 C ATOM 1081 O ILE A 67 66.482 15.144 25.608 1.00 1.00 O ATOM 1082 CB ILE A 67 67.905 14.828 28.675 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.497 16.219 28.378 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.936 13.957 29.424 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.109 16.911 29.597 1.00 1.00 C ATOM 0 H ILE A 67 68.806 15.003 26.173 1.00 1.00 H new ATOM 0 HA ILE A 67 67.222 13.099 27.762 1.00 1.00 H new ATOM 0 HB ILE A 67 67.010 15.001 29.273 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.262 16.119 27.608 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.713 16.856 27.968 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.232 14.456 30.347 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.492 12.990 29.660 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.813 13.809 28.794 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.503 17.884 29.303 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.344 17.045 30.362 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.917 16.298 29.996 1.00 1.00 H new ATOM 1097 N ASN A 68 65.096 14.161 27.064 1.00 1.00 N ATOM 1098 CA ASN A 68 63.921 14.662 26.405 1.00 1.00 C ATOM 1099 C ASN A 68 63.316 15.786 27.188 1.00 1.00 C ATOM 1100 O ASN A 68 63.586 15.945 28.375 1.00 1.00 O ATOM 1101 CB ASN A 68 62.824 13.596 26.222 1.00 1.00 C ATOM 1102 CG ASN A 68 63.345 12.326 25.565 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.085 11.231 26.065 1.00 1.00 O ATOM 1104 ND2 ASN A 68 64.070 12.439 24.423 1.00 1.00 N ATOM 0 H ASN A 68 64.908 13.559 27.866 1.00 1.00 H new ATOM 0 HA ASN A 68 64.261 14.992 25.423 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.397 13.349 27.194 1.00 1.00 H new ATOM 0 HB3 ASN A 68 62.018 14.010 25.616 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.416 11.602 23.954 1.00 1.00 H new ATOM 0 HD22 ASN A 68 64.268 13.361 24.034 1.00 1.00 H new ATOM 1111 N GLU A 69 62.431 16.614 26.601 1.00 1.00 N ATOM 1112 CA GLU A 69 61.761 17.669 27.310 1.00 1.00 C ATOM 1113 C GLU A 69 60.900 17.225 28.452 1.00 1.00 C ATOM 1114 O GLU A 69 60.817 17.905 29.474 1.00 1.00 O ATOM 1115 CB GLU A 69 60.943 18.545 26.342 1.00 1.00 C ATOM 1116 CG GLU A 69 61.764 19.729 25.815 1.00 1.00 C ATOM 1117 CD GLU A 69 61.033 20.462 24.701 1.00 1.00 C ATOM 1118 OE1 GLU A 69 59.870 20.894 24.915 1.00 1.00 O ATOM 1119 OE2 GLU A 69 61.607 20.621 23.591 1.00 1.00 O ATOM 0 H GLU A 69 62.174 16.552 25.616 1.00 1.00 H new ATOM 0 HA GLU A 69 62.565 18.250 27.762 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.600 17.938 25.504 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.054 18.917 26.851 1.00 1.00 H new ATOM 0 HG2 GLU A 69 61.973 20.421 26.631 1.00 1.00 H new ATOM 0 HG3 GLU A 69 62.726 19.371 25.447 1.00 1.00 H new ATOM 1126 N THR A 70 60.252 16.053 28.326 1.00 1.00 N ATOM 1127 CA THR A 70 59.402 15.480 29.334 1.00 1.00 C ATOM 1128 C THR A 70 60.156 14.556 30.241 1.00 1.00 C ATOM 1129 O THR A 70 59.593 13.871 31.093 1.00 1.00 O ATOM 1130 CB THR A 70 58.220 14.750 28.748 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.717 15.451 27.619 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.038 14.702 29.730 1.00 1.00 C ATOM 0 H THR A 70 60.321 15.477 27.487 1.00 1.00 H new ATOM 0 HA THR A 70 59.029 16.323 29.916 1.00 1.00 H new ATOM 0 HB THR A 70 58.578 13.750 28.502 1.00 1.00 H new ATOM 0 HG1 THR A 70 56.951 14.966 27.247 1.00 1.00 H new ATOM 0 HG21 THR A 70 56.206 14.168 29.272 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.342 14.186 30.641 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.727 15.718 29.975 1.00 1.00 H new ATOM 1140 N ASP A 71 61.498 14.507 30.137 1.00 1.00 N ATOM 1141 CA ASP A 71 62.358 13.940 31.131 1.00 1.00 C ATOM 1142 C ASP A 71 62.583 14.954 32.214 1.00 1.00 C ATOM 1143 O ASP A 71 62.158 16.107 32.136 1.00 1.00 O ATOM 1144 CB ASP A 71 63.699 13.512 30.511 1.00 1.00 C ATOM 1145 CG ASP A 71 63.628 12.336 29.552 1.00 1.00 C ATOM 1146 OD1 ASP A 71 62.586 11.650 29.379 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.692 12.064 28.934 1.00 1.00 O ATOM 0 H ASP A 71 62.002 14.876 29.331 1.00 1.00 H new ATOM 0 HA ASP A 71 61.887 13.052 31.552 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.124 14.365 29.982 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.389 13.261 31.317 1.00 1.00 H new ATOM 1152 N THR A 72 63.245 14.572 33.322 1.00 1.00 N ATOM 1153 CA THR A 72 63.207 15.351 34.532 1.00 1.00 C ATOM 1154 C THR A 72 64.492 15.263 35.296 1.00 1.00 C ATOM 1155 O THR A 72 65.247 14.309 35.112 1.00 1.00 O ATOM 1156 CB THR A 72 62.080 15.050 35.492 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.167 13.753 36.063 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.704 15.156 34.813 1.00 1.00 C ATOM 0 H THR A 72 63.808 13.724 33.385 1.00 1.00 H new ATOM 0 HA THR A 72 63.033 16.356 34.148 1.00 1.00 H new ATOM 0 HB THR A 72 62.182 15.800 36.276 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.415 13.614 36.676 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.922 14.932 35.539 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.564 16.167 34.430 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.649 14.445 33.989 1.00 1.00 H new ATOM 1166 N PRO A 73 64.797 16.181 36.180 1.00 1.00 N ATOM 1167 CA PRO A 73 65.874 16.049 37.127 1.00 1.00 C ATOM 1168 C PRO A 73 65.780 14.882 38.056 1.00 1.00 C ATOM 1169 O PRO A 73 66.821 14.371 38.466 1.00 1.00 O ATOM 1170 CB PRO A 73 65.868 17.359 37.917 1.00 1.00 C ATOM 1171 CG PRO A 73 65.296 18.380 36.926 1.00 1.00 C ATOM 1172 CD PRO A 73 64.258 17.535 36.180 1.00 1.00 C ATOM 0 HA PRO A 73 66.799 15.859 36.582 1.00 1.00 H new ATOM 0 HB2 PRO A 73 65.252 17.283 38.813 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.871 17.635 38.242 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.843 19.233 37.432 1.00 1.00 H new ATOM 0 HG3 PRO A 73 66.061 18.775 36.257 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.289 17.573 36.677 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.110 17.900 35.164 1.00 1.00 H new ATOM 1180 N ALA A 74 64.568 14.447 38.446 1.00 1.00 N ATOM 1181 CA ALA A 74 64.368 13.259 39.225 1.00 1.00 C ATOM 1182 C ALA A 74 64.755 12.009 38.501 1.00 1.00 C ATOM 1183 O ALA A 74 65.464 11.151 39.026 1.00 1.00 O ATOM 1184 CB ALA A 74 62.878 13.140 39.587 1.00 1.00 C ATOM 0 H ALA A 74 63.702 14.933 38.214 1.00 1.00 H new ATOM 0 HA ALA A 74 65.003 13.354 40.106 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.718 12.239 40.179 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.573 14.013 40.164 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.285 13.084 38.674 1.00 1.00 H new ATOM 1190 N GLN A 75 64.324 11.891 37.233 1.00 1.00 N ATOM 1191 CA GLN A 75 64.536 10.756 36.384 1.00 1.00 C ATOM 1192 C GLN A 75 65.961 10.578 35.967 1.00 1.00 C ATOM 1193 O GLN A 75 66.495 9.469 35.967 1.00 1.00 O ATOM 1194 CB GLN A 75 63.630 10.879 35.148 1.00 1.00 C ATOM 1195 CG GLN A 75 62.171 10.527 35.470 1.00 1.00 C ATOM 1196 CD GLN A 75 61.262 10.811 34.283 1.00 1.00 C ATOM 1197 OE1 GLN A 75 61.467 10.303 33.180 1.00 1.00 O ATOM 1198 NE2 GLN A 75 60.202 11.634 34.498 1.00 1.00 N ATOM 0 H GLN A 75 63.796 12.632 36.772 1.00 1.00 H new ATOM 0 HA GLN A 75 64.282 9.868 36.962 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.681 11.897 34.761 1.00 1.00 H new ATOM 0 HB3 GLN A 75 63.997 10.220 34.362 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.100 9.474 35.742 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.837 11.103 36.333 1.00 1.00 H new ATOM 0 HE21 GLN A 75 60.053 12.043 35.420 1.00 1.00 H new ATOM 0 HE22 GLN A 75 59.556 11.843 33.737 1.00 1.00 H new ATOM 1207 N LEU A 76 66.660 11.676 35.627 1.00 1.00 N ATOM 1208 CA LEU A 76 68.057 11.604 35.302 1.00 1.00 C ATOM 1209 C LEU A 76 68.934 11.541 36.517 1.00 1.00 C ATOM 1210 O LEU A 76 70.134 11.291 36.433 1.00 1.00 O ATOM 1211 CB LEU A 76 68.403 12.851 34.467 1.00 1.00 C ATOM 1212 CG LEU A 76 69.743 12.783 33.714 1.00 1.00 C ATOM 1213 CD1 LEU A 76 69.650 11.816 32.523 1.00 1.00 C ATOM 1214 CD2 LEU A 76 70.170 14.185 33.254 1.00 1.00 C ATOM 0 H LEU A 76 66.262 12.614 35.576 1.00 1.00 H new ATOM 0 HA LEU A 76 68.241 10.684 34.746 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.605 13.017 33.743 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.419 13.718 35.127 1.00 1.00 H new ATOM 0 HG LEU A 76 70.504 12.401 34.395 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.609 11.784 32.005 1.00 1.00 H new ATOM 0 HD12 LEU A 76 69.398 10.818 32.883 1.00 1.00 H new ATOM 0 HD13 LEU A 76 68.877 12.159 31.835 1.00 1.00 H new ATOM 0 HD21 LEU A 76 71.120 14.120 32.723 1.00 1.00 H new ATOM 0 HD22 LEU A 76 69.410 14.597 32.590 1.00 1.00 H new ATOM 0 HD23 LEU A 76 70.283 14.834 34.122 1.00 1.00 H new ATOM 1226 N GLU A 77 68.355 11.732 37.717 1.00 1.00 N ATOM 1227 CA GLU A 77 69.024 11.742 38.988 1.00 1.00 C ATOM 1228 C GLU A 77 70.060 12.816 39.116 1.00 1.00 C ATOM 1229 O GLU A 77 71.186 12.598 39.560 1.00 1.00 O ATOM 1230 CB GLU A 77 69.574 10.366 39.411 1.00 1.00 C ATOM 1231 CG GLU A 77 68.511 9.262 39.484 1.00 1.00 C ATOM 1232 CD GLU A 77 69.137 7.927 39.856 1.00 1.00 C ATOM 1233 OE1 GLU A 77 69.544 7.754 41.036 1.00 1.00 O ATOM 1234 OE2 GLU A 77 69.238 7.041 38.965 1.00 1.00 O ATOM 0 H GLU A 77 67.351 11.890 37.807 1.00 1.00 H new ATOM 0 HA GLU A 77 68.235 11.989 39.698 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.348 10.064 38.706 1.00 1.00 H new ATOM 0 HB3 GLU A 77 70.051 10.462 40.387 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.753 9.530 40.220 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.005 9.175 38.522 1.00 1.00 H new ATOM 1241 N MET A 78 69.694 14.049 38.717 1.00 1.00 N ATOM 1242 CA MET A 78 70.451 15.257 38.861 1.00 1.00 C ATOM 1243 C MET A 78 70.724 15.640 40.282 1.00 1.00 C ATOM 1244 O MET A 78 69.998 15.277 41.207 1.00 1.00 O ATOM 1245 CB MET A 78 69.743 16.422 38.148 1.00 1.00 C ATOM 1246 CG MET A 78 69.637 16.257 36.629 1.00 1.00 C ATOM 1247 SD MET A 78 68.900 17.730 35.863 1.00 1.00 S ATOM 1248 CE MET A 78 68.428 17.053 34.245 1.00 1.00 C ATOM 0 H MET A 78 68.798 14.213 38.258 1.00 1.00 H new ATOM 0 HA MET A 78 71.417 15.053 38.399 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.740 16.531 38.561 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.279 17.346 38.365 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.627 16.081 36.209 1.00 1.00 H new ATOM 0 HG3 MET A 78 69.032 15.381 36.396 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.571 17.603 33.856 1.00 1.00 H new ATOM 0 HE2 MET A 78 69.265 17.148 33.553 1.00 1.00 H new ATOM 0 HE3 MET A 78 68.165 16.001 34.354 1.00 1.00 H new ATOM 1258 N GLU A 79 71.822 16.385 40.495 1.00 1.00 N ATOM 1259 CA GLU A 79 72.346 16.694 41.793 1.00 1.00 C ATOM 1260 C GLU A 79 72.325 18.176 41.994 1.00 1.00 C ATOM 1261 O GLU A 79 71.883 18.931 41.131 1.00 1.00 O ATOM 1262 CB GLU A 79 73.769 16.119 41.931 1.00 1.00 C ATOM 1263 CG GLU A 79 73.791 14.601 41.706 1.00 1.00 C ATOM 1264 CD GLU A 79 75.189 14.007 41.767 1.00 1.00 C ATOM 1265 OE1 GLU A 79 75.685 13.734 42.892 1.00 1.00 O ATOM 1266 OE2 GLU A 79 75.787 13.787 40.681 1.00 1.00 O ATOM 0 H GLU A 79 72.368 16.789 39.734 1.00 1.00 H new ATOM 0 HA GLU A 79 71.729 16.238 42.567 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.429 16.603 41.211 1.00 1.00 H new ATOM 0 HB3 GLU A 79 74.159 16.346 42.923 1.00 1.00 H new ATOM 0 HG2 GLU A 79 73.166 14.120 42.458 1.00 1.00 H new ATOM 0 HG3 GLU A 79 73.350 14.378 40.734 1.00 1.00 H new ATOM 1273 N ASP A 80 72.786 18.651 43.165 1.00 1.00 N ATOM 1274 CA ASP A 80 72.786 20.017 43.607 1.00 1.00 C ATOM 1275 C ASP A 80 73.496 20.994 42.721 1.00 1.00 C ATOM 1276 O ASP A 80 73.179 22.183 42.733 1.00 1.00 O ATOM 1277 CB ASP A 80 73.174 20.136 45.092 1.00 1.00 C ATOM 1278 CG ASP A 80 74.564 19.587 45.353 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.772 18.353 45.201 1.00 1.00 O ATOM 1280 OD2 ASP A 80 75.472 20.386 45.703 1.00 1.00 O ATOM 0 H ASP A 80 73.193 18.028 43.862 1.00 1.00 H new ATOM 0 HA ASP A 80 71.747 20.334 43.514 1.00 1.00 H new ATOM 0 HB2 ASP A 80 73.132 21.182 45.397 1.00 1.00 H new ATOM 0 HB3 ASP A 80 72.449 19.597 45.702 1.00 1.00 H new ATOM 1285 N GLU A 81 74.489 20.515 41.952 1.00 1.00 N ATOM 1286 CA GLU A 81 75.013 21.178 40.793 1.00 1.00 C ATOM 1287 C GLU A 81 75.190 20.150 39.719 1.00 1.00 C ATOM 1288 O GLU A 81 76.235 19.508 39.619 1.00 1.00 O ATOM 1289 CB GLU A 81 76.353 21.898 41.047 1.00 1.00 C ATOM 1290 CG GLU A 81 76.217 23.137 41.944 1.00 1.00 C ATOM 1291 CD GLU A 81 77.471 23.990 42.044 1.00 1.00 C ATOM 1292 OE1 GLU A 81 78.565 23.575 41.576 1.00 1.00 O ATOM 1293 OE2 GLU A 81 77.375 25.118 42.597 1.00 1.00 O ATOM 0 H GLU A 81 74.949 19.625 42.145 1.00 1.00 H new ATOM 0 HA GLU A 81 74.305 21.954 40.502 1.00 1.00 H new ATOM 0 HB2 GLU A 81 77.051 21.199 41.508 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.784 22.196 40.091 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.403 23.755 41.565 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.933 22.814 42.946 1.00 1.00 H new ATOM 1300 N ASP A 82 74.179 19.929 38.856 1.00 1.00 N ATOM 1301 CA ASP A 82 74.317 19.064 37.718 1.00 1.00 C ATOM 1302 C ASP A 82 74.894 19.770 36.531 1.00 1.00 C ATOM 1303 O ASP A 82 74.885 20.997 36.456 1.00 1.00 O ATOM 1304 CB ASP A 82 73.008 18.356 37.308 1.00 1.00 C ATOM 1305 CG ASP A 82 73.309 16.876 37.155 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.552 16.224 38.204 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.374 16.369 36.005 1.00 1.00 O ATOM 0 H ASP A 82 73.256 20.354 38.947 1.00 1.00 H new ATOM 0 HA ASP A 82 75.015 18.295 38.051 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.237 18.513 38.062 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.628 18.767 36.373 1.00 1.00 H new ATOM 1312 N THR A 83 75.418 19.000 35.560 1.00 1.00 N ATOM 1313 CA THR A 83 76.055 19.530 34.386 1.00 1.00 C ATOM 1314 C THR A 83 75.507 18.889 33.151 1.00 1.00 C ATOM 1315 O THR A 83 75.654 17.689 32.913 1.00 1.00 O ATOM 1316 CB THR A 83 77.557 19.393 34.387 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.111 20.012 35.540 1.00 1.00 O ATOM 1318 CG2 THR A 83 78.179 20.116 33.181 1.00 1.00 C ATOM 0 H THR A 83 75.400 17.981 35.589 1.00 1.00 H new ATOM 0 HA THR A 83 75.831 20.597 34.396 1.00 1.00 H new ATOM 0 HB THR A 83 77.773 18.325 34.359 1.00 1.00 H new ATOM 0 HG1 THR A 83 79.086 19.913 35.528 1.00 1.00 H new ATOM 0 HG21 THR A 83 79.263 20.001 33.207 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.790 19.685 32.258 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.926 21.175 33.222 1.00 1.00 H new ATOM 1326 N ILE A 84 74.840 19.689 32.301 1.00 1.00 N ATOM 1327 CA ILE A 84 74.096 19.284 31.143 1.00 1.00 C ATOM 1328 C ILE A 84 74.693 19.950 29.942 1.00 1.00 C ATOM 1329 O ILE A 84 75.134 21.097 30.006 1.00 1.00 O ATOM 1330 CB ILE A 84 72.629 19.595 31.298 1.00 1.00 C ATOM 1331 CG1 ILE A 84 72.016 18.912 32.536 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.829 19.243 30.030 1.00 1.00 C ATOM 1333 CD1 ILE A 84 72.083 17.383 32.549 1.00 1.00 C ATOM 0 H ILE A 84 74.818 20.700 32.433 1.00 1.00 H new ATOM 0 HA ILE A 84 74.161 18.203 31.018 1.00 1.00 H new ATOM 0 HB ILE A 84 72.560 20.672 31.449 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.524 19.288 33.425 1.00 1.00 H new ATOM 0 HG13 ILE A 84 70.971 19.213 32.615 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.777 19.483 30.185 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.212 19.818 29.187 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.931 18.178 29.819 1.00 1.00 H new ATOM 0 HD11 ILE A 84 71.624 17.006 33.463 1.00 1.00 H new ATOM 0 HD12 ILE A 84 71.548 16.988 31.685 1.00 1.00 H new ATOM 0 HD13 ILE A 84 73.124 17.064 32.508 1.00 1.00 H new ATOM 1345 N ASP A 85 74.794 19.253 28.795 1.00 1.00 N ATOM 1346 CA ASP A 85 75.538 19.712 27.659 1.00 1.00 C ATOM 1347 C ASP A 85 74.609 20.062 26.537 1.00 1.00 C ATOM 1348 O ASP A 85 73.522 19.501 26.415 1.00 1.00 O ATOM 1349 CB ASP A 85 76.424 18.563 27.142 1.00 1.00 C ATOM 1350 CG ASP A 85 77.561 18.250 28.097 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.461 19.118 28.249 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.623 17.107 28.621 1.00 1.00 O ATOM 0 H ASP A 85 74.347 18.347 28.652 1.00 1.00 H new ATOM 0 HA ASP A 85 76.125 20.579 27.963 1.00 1.00 H new ATOM 0 HB2 ASP A 85 75.814 17.671 26.999 1.00 1.00 H new ATOM 0 HB3 ASP A 85 76.832 18.830 26.167 1.00 1.00 H new ATOM 1357 N VAL A 86 75.002 21.011 25.666 1.00 1.00 N ATOM 1358 CA VAL A 86 74.211 21.459 24.553 1.00 1.00 C ATOM 1359 C VAL A 86 74.803 20.974 23.267 1.00 1.00 C ATOM 1360 O VAL A 86 76.020 20.974 23.091 1.00 1.00 O ATOM 1361 CB VAL A 86 74.125 22.961 24.468 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.160 23.423 23.361 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.631 23.528 25.809 1.00 1.00 C ATOM 0 H VAL A 86 75.902 21.485 25.737 1.00 1.00 H new ATOM 0 HA VAL A 86 73.212 21.053 24.712 1.00 1.00 H new ATOM 0 HB VAL A 86 75.124 23.329 24.233 1.00 1.00 H new ATOM 0 HG11 VAL A 86 73.130 24.512 23.336 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.505 23.048 22.398 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.161 23.037 23.564 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.570 24.614 25.744 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.645 23.122 26.035 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.327 23.250 26.600 1.00 1.00 H new ATOM 1373 N PHE A 87 73.953 20.540 22.317 1.00 1.00 N ATOM 1374 CA PHE A 87 74.348 20.329 20.954 1.00 1.00 C ATOM 1375 C PHE A 87 73.355 20.962 20.028 1.00 1.00 C ATOM 1376 O PHE A 87 72.144 20.926 20.244 1.00 1.00 O ATOM 1377 CB PHE A 87 74.503 18.829 20.634 1.00 1.00 C ATOM 1378 CG PHE A 87 75.476 18.603 19.524 1.00 1.00 C ATOM 1379 CD1 PHE A 87 76.830 18.776 19.752 1.00 1.00 C ATOM 1380 CD2 PHE A 87 75.046 18.227 18.263 1.00 1.00 C ATOM 1381 CE1 PHE A 87 77.746 18.584 18.734 1.00 1.00 C ATOM 1382 CE2 PHE A 87 75.957 18.028 17.242 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.308 18.208 17.477 1.00 1.00 C ATOM 0 H PHE A 87 72.971 20.331 22.498 1.00 1.00 H new ATOM 0 HA PHE A 87 75.321 20.798 20.810 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.837 18.299 21.526 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.534 18.412 20.360 1.00 1.00 H new ATOM 0 HD1 PHE A 87 77.175 19.064 20.734 1.00 1.00 H new ATOM 0 HD2 PHE A 87 73.992 18.088 18.075 1.00 1.00 H new ATOM 0 HE1 PHE A 87 78.800 18.727 18.920 1.00 1.00 H new ATOM 0 HE2 PHE A 87 75.614 17.732 16.262 1.00 1.00 H new ATOM 0 HZ PHE A 87 78.020 18.055 16.680 1.00 1.00 H new ATOM 1393 N GLN A 88 73.846 21.594 18.948 1.00 1.00 N ATOM 1394 CA GLN A 88 73.052 22.332 18.008 1.00 1.00 C ATOM 1395 C GLN A 88 72.528 21.448 16.920 1.00 1.00 C ATOM 1396 O GLN A 88 73.200 20.532 16.452 1.00 1.00 O ATOM 1397 CB GLN A 88 73.857 23.491 17.390 1.00 1.00 C ATOM 1398 CG GLN A 88 73.056 24.443 16.494 1.00 1.00 C ATOM 1399 CD GLN A 88 73.946 25.526 15.900 1.00 1.00 C ATOM 1400 OE1 GLN A 88 73.874 26.695 16.280 1.00 1.00 O ATOM 1401 NE2 GLN A 88 74.802 25.133 14.921 1.00 1.00 N ATOM 0 H GLN A 88 74.840 21.592 18.717 1.00 1.00 H new ATOM 0 HA GLN A 88 72.206 22.743 18.559 1.00 1.00 H new ATOM 0 HB2 GLN A 88 74.306 24.070 18.197 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.676 23.071 16.805 1.00 1.00 H new ATOM 0 HG2 GLN A 88 72.583 23.878 15.691 1.00 1.00 H new ATOM 0 HG3 GLN A 88 72.256 24.904 17.073 1.00 1.00 H new ATOM 0 HE21 GLN A 88 74.833 24.155 14.633 1.00 1.00 H new ATOM 0 HE22 GLN A 88 75.414 25.816 14.474 1.00 1.00 H new ATOM 1410 N GLN A 89 71.274 21.677 16.491 1.00 1.00 N ATOM 1411 CA GLN A 89 70.596 20.894 15.499 1.00 1.00 C ATOM 1412 C GLN A 89 70.586 21.539 14.147 1.00 1.00 C ATOM 1413 O GLN A 89 71.587 22.110 13.718 1.00 1.00 O ATOM 1414 CB GLN A 89 69.182 20.559 16.008 1.00 1.00 C ATOM 1415 CG GLN A 89 69.163 19.905 17.396 1.00 1.00 C ATOM 1416 CD GLN A 89 70.024 18.647 17.443 1.00 1.00 C ATOM 1417 OE1 GLN A 89 69.864 17.732 16.636 1.00 1.00 O ATOM 1418 NE2 GLN A 89 70.983 18.585 18.403 1.00 1.00 N ATOM 0 H GLN A 89 70.705 22.443 16.851 1.00 1.00 H new ATOM 0 HA GLN A 89 71.149 19.966 15.353 1.00 1.00 H new ATOM 0 HB2 GLN A 89 68.591 21.474 16.040 1.00 1.00 H new ATOM 0 HB3 GLN A 89 68.698 19.891 15.295 1.00 1.00 H new ATOM 0 HG2 GLN A 89 69.521 20.618 18.138 1.00 1.00 H new ATOM 0 HG3 GLN A 89 68.137 19.653 17.665 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.097 19.356 19.061 1.00 1.00 H new ATOM 0 HE22 GLN A 89 71.590 17.767 18.466 1.00 1.00 H new ATOM 1481 N VAL B 966 72.063 31.833 38.715 1.00 1.00 N ATOM 1482 CA VAL B 966 71.521 32.876 37.890 1.00 1.00 C ATOM 1483 C VAL B 966 70.027 32.902 37.815 1.00 1.00 C ATOM 1484 O VAL B 966 69.371 33.924 38.012 1.00 1.00 O ATOM 1485 CB VAL B 966 72.192 32.977 36.539 1.00 1.00 C ATOM 1486 CG1 VAL B 966 73.171 31.840 36.202 1.00 1.00 C ATOM 1487 CG2 VAL B 966 71.215 32.958 35.353 1.00 1.00 C ATOM 0 HA VAL B 966 71.775 33.795 38.418 1.00 1.00 H new ATOM 0 HB VAL B 966 72.708 33.930 36.652 1.00 1.00 H new ATOM 0 HG11 VAL B 966 73.597 32.008 35.213 1.00 1.00 H new ATOM 0 HG12 VAL B 966 73.971 31.817 36.942 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.640 30.888 36.212 1.00 1.00 H new ATOM 0 HG21 VAL B 966 71.774 33.034 34.420 1.00 1.00 H new ATOM 0 HG22 VAL B 966 70.650 32.026 35.362 1.00 1.00 H new ATOM 0 HG23 VAL B 966 70.528 33.800 35.434 1.00 1.00 H new ATOM 1497 N ILE B 967 69.442 31.722 37.562 1.00 1.00 N ATOM 1498 CA ILE B 967 68.044 31.539 37.296 1.00 1.00 C ATOM 1499 C ILE B 967 67.450 30.882 38.500 1.00 1.00 C ATOM 1500 O ILE B 967 67.861 29.792 38.891 1.00 1.00 O ATOM 1501 CB ILE B 967 67.830 30.754 36.023 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.852 31.693 34.801 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.538 29.915 36.059 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.372 31.097 33.490 1.00 1.00 C ATOM 0 H ILE B 967 69.967 30.848 37.541 1.00 1.00 H new ATOM 0 HA ILE B 967 67.545 32.493 37.126 1.00 1.00 H new ATOM 0 HB ILE B 967 68.655 30.047 35.935 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.838 32.057 34.632 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.465 32.560 35.048 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.432 29.370 35.121 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.587 29.207 36.886 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.680 30.574 36.196 1.00 1.00 H new ATOM 0 HD11 ILE B 967 68.338 31.855 32.707 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.400 30.761 33.625 1.00 1.00 H new ATOM 0 HD13 ILE B 967 67.749 30.250 33.203 1.00 1.00 H new ATOM 1516 N ASP B 968 66.465 31.512 39.165 1.00 1.00 N ATOM 1517 CA ASP B 968 65.618 30.863 40.123 1.00 1.00 C ATOM 1518 C ASP B 968 64.310 30.592 39.444 1.00 1.00 C ATOM 1519 O ASP B 968 63.657 31.540 39.011 1.00 1.00 O ATOM 1520 CB ASP B 968 65.497 31.785 41.351 1.00 1.00 C ATOM 1521 CG ASP B 968 64.815 31.125 42.534 1.00 1.00 C ATOM 1522 OD1 ASP B 968 63.670 30.617 42.397 1.00 1.00 O ATOM 1523 OD2 ASP B 968 65.404 31.121 43.647 1.00 1.00 O ATOM 0 H ASP B 968 66.250 32.500 39.034 1.00 1.00 H new ATOM 0 HA ASP B 968 66.013 29.911 40.477 1.00 1.00 H new ATOM 0 HB2 ASP B 968 66.493 32.111 41.651 1.00 1.00 H new ATOM 0 HB3 ASP B 968 64.939 32.679 41.072 1.00 1.00 H new ATOM 1528 N LEU B 969 63.886 29.326 39.264 1.00 1.00 N ATOM 1529 CA LEU B 969 62.679 29.080 38.522 1.00 1.00 C ATOM 1530 C LEU B 969 61.514 28.632 39.347 1.00 1.00 C ATOM 1531 O LEU B 969 61.644 27.963 40.373 1.00 1.00 O ATOM 1532 CB LEU B 969 62.892 28.116 37.341 1.00 1.00 C ATOM 1533 CG LEU B 969 63.653 26.852 37.768 1.00 1.00 C ATOM 1534 CD1 LEU B 969 63.065 25.548 37.221 1.00 1.00 C ATOM 1535 CD2 LEU B 969 65.134 26.931 37.376 1.00 1.00 C ATOM 0 H LEU B 969 64.359 28.495 39.618 1.00 1.00 H new ATOM 0 HA LEU B 969 62.420 30.064 38.131 1.00 1.00 H new ATOM 0 HB2 LEU B 969 61.926 27.835 36.922 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.446 28.625 36.552 1.00 1.00 H new ATOM 0 HG LEU B 969 63.548 26.824 38.853 1.00 1.00 H new ATOM 0 HD11 LEU B 969 63.662 24.705 37.570 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.039 25.436 37.572 1.00 1.00 H new ATOM 0 HD13 LEU B 969 63.075 25.573 36.131 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.643 26.021 37.693 1.00 1.00 H new ATOM 0 HD22 LEU B 969 65.219 27.037 36.294 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.594 27.792 37.862 1.00 1.00 H new