USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 690 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 85 GLN : amide:sc= 0.087 K(o=-0.34,f=-0.98) USER MOD Set 1.2: A 87 HIS : no HD1:sc= -0.429 K(o=-0.34,f=-1.5) USER MOD Set 2.1: A 1 MET CE :methyl -128:sc= -0.566 (180deg=-1.05) USER MOD Set 2.2: A 73 GLN : amide:sc= 0.794 K(o=0.23,f=-1.1) USER MOD Set 3.1: A 40 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 92 ASN : amide:sc= 0 X(o=0,f=0.035) USER MOD Single : A 0 MET CE :methyl 173:sc= -1.35 (180deg=-1.38) USER MOD Single : A 0 MET N :NH3+ -116:sc= 0.112 (180deg=-0.187) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 0.735 (180deg=0.435) USER MOD Single : A 5 THR OG1 : rot 130:sc= 0.0699 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 24 MET CE :methyl 160:sc= -0.0882 (180deg=-0.547) USER MOD Single : A 25 CYS SG : rot 142:sc= -0.895 USER MOD Single : A 33 ASN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : A 37 SER OG : rot 26:sc= 0.0802 USER MOD Single : A 42 MET CE :methyl -167:sc= -0.982 (180deg=-1.11) USER MOD Single : A 48 THR OG1 : rot -66:sc= 1.21 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0038 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0461 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0707 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 97.079 10.456 -3.130 1.00 0.00 N ATOM 296 CA MET A 0 97.606 9.098 -3.180 1.00 0.00 C ATOM 297 C MET A 0 96.859 8.272 -4.217 1.00 0.00 C ATOM 298 O MET A 0 95.810 8.686 -4.709 1.00 0.00 O ATOM 299 CB MET A 0 97.513 8.441 -1.801 1.00 0.00 C ATOM 300 CG MET A 0 98.502 9.010 -0.797 1.00 0.00 C ATOM 301 SD MET A 0 98.144 8.516 0.899 1.00 0.00 S ATOM 302 CE MET A 0 98.272 6.734 0.769 1.00 0.00 C ATOM 0 H1 MET A 0 97.817 11.126 -3.426 1.00 0.00 H new ATOM 0 H2 MET A 0 96.263 10.535 -3.770 1.00 0.00 H new ATOM 0 H3 MET A 0 96.780 10.677 -2.159 1.00 0.00 H new ATOM 0 HA MET A 0 98.655 9.144 -3.472 1.00 0.00 H new ATOM 0 HB2 MET A 0 96.501 8.565 -1.414 1.00 0.00 H new ATOM 0 HB3 MET A 0 97.686 7.370 -1.904 1.00 0.00 H new ATOM 0 HG2 MET A 0 99.508 8.683 -1.060 1.00 0.00 H new ATOM 0 HG3 MET A 0 98.493 10.098 -0.863 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.199 6.291 1.762 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.464 6.356 0.143 1.00 0.00 H new ATOM 0 HE3 MET A 0 99.231 6.470 0.323 1.00 0.00 H new ATOM 312 N MET A 1 97.400 7.105 -4.536 1.00 0.00 N ATOM 313 CA MET A 1 96.846 6.261 -5.585 1.00 0.00 C ATOM 314 C MET A 1 96.128 5.050 -5.004 1.00 0.00 C ATOM 315 O MET A 1 95.772 4.123 -5.738 1.00 0.00 O ATOM 316 CB MET A 1 97.955 5.805 -6.536 1.00 0.00 C ATOM 317 CG MET A 1 98.560 6.936 -7.351 1.00 0.00 C ATOM 318 SD MET A 1 99.933 6.388 -8.383 1.00 0.00 S ATOM 319 CE MET A 1 101.128 5.925 -7.127 1.00 0.00 C ATOM 0 H MET A 1 98.227 6.719 -4.080 1.00 0.00 H new ATOM 0 HA MET A 1 96.116 6.852 -6.138 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.743 5.323 -5.957 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.553 5.053 -7.215 1.00 0.00 H new ATOM 0 HG2 MET A 1 97.789 7.377 -7.983 1.00 0.00 H new ATOM 0 HG3 MET A 1 98.907 7.720 -6.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 102.078 6.419 -7.329 1.00 0.00 H new ATOM 0 HE2 MET A 1 100.762 6.229 -6.147 1.00 0.00 H new ATOM 0 HE3 MET A 1 101.271 4.845 -7.142 1.00 0.00 H new ATOM 329 N PHE A 2 95.931 5.054 -3.688 1.00 0.00 N ATOM 330 CA PHE A 2 95.160 4.009 -3.022 1.00 0.00 C ATOM 331 C PHE A 2 93.707 4.076 -3.476 1.00 0.00 C ATOM 332 O PHE A 2 93.063 5.122 -3.375 1.00 0.00 O ATOM 333 CB PHE A 2 95.249 4.162 -1.496 1.00 0.00 C ATOM 334 CG PHE A 2 94.494 3.110 -0.724 1.00 0.00 C ATOM 335 CD1 PHE A 2 95.054 1.864 -0.495 1.00 0.00 C ATOM 336 CD2 PHE A 2 93.225 3.370 -0.226 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.366 0.898 0.217 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.532 2.408 0.487 1.00 0.00 C ATOM 339 CZ PHE A 2 93.104 1.169 0.709 1.00 0.00 C ATOM 0 H PHE A 2 96.296 5.771 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 2 95.575 3.038 -3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 2 96.298 4.132 -1.200 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.868 5.144 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 2 96.040 1.644 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.773 4.336 -0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.816 -0.069 0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.546 2.625 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.566 0.416 1.265 1.00 0.00 H new ATOM 349 N LYS A 3 93.199 2.967 -3.986 1.00 0.00 N ATOM 350 CA LYS A 3 91.856 2.935 -4.546 1.00 0.00 C ATOM 351 C LYS A 3 90.972 1.966 -3.777 1.00 0.00 C ATOM 352 O LYS A 3 91.217 0.765 -3.774 1.00 0.00 O ATOM 353 CB LYS A 3 91.906 2.520 -6.018 1.00 0.00 C ATOM 354 CG LYS A 3 92.875 3.339 -6.850 1.00 0.00 C ATOM 355 CD LYS A 3 92.941 2.844 -8.284 1.00 0.00 C ATOM 356 CE LYS A 3 94.076 3.509 -9.043 1.00 0.00 C ATOM 357 NZ LYS A 3 95.402 3.171 -8.458 1.00 0.00 N ATOM 0 H LYS A 3 93.695 2.076 -4.025 1.00 0.00 H new ATOM 0 HA LYS A 3 91.433 3.937 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.186 1.468 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.908 2.610 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 3 92.569 4.385 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 3 93.868 3.293 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.079 1.763 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.995 3.049 -8.786 1.00 0.00 H new ATOM 0 HE2 LYS A 3 94.048 3.196 -10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 3 93.938 4.590 -9.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 96.155 3.453 -9.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 95.523 3.677 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 95.456 2.146 -8.289 1.00 0.00 H new ATOM 371 N LEU A 4 89.955 2.493 -3.122 1.00 0.00 N ATOM 372 CA LEU A 4 88.986 1.663 -2.427 1.00 0.00 C ATOM 373 C LEU A 4 87.682 1.676 -3.218 1.00 0.00 C ATOM 374 O LEU A 4 87.086 2.737 -3.417 1.00 0.00 O ATOM 375 CB LEU A 4 88.771 2.187 -0.998 1.00 0.00 C ATOM 376 CG LEU A 4 88.293 1.155 0.036 1.00 0.00 C ATOM 377 CD1 LEU A 4 88.345 1.747 1.436 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.882 0.681 -0.270 1.00 0.00 C ATOM 0 H LEU A 4 89.777 3.495 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 4 89.351 0.639 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.709 2.617 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 4 88.043 2.997 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 4 88.962 0.296 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 4 88.004 1.005 2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.369 2.037 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.699 2.624 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.573 -0.048 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.200 1.531 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.859 0.219 -1.257 1.00 0.00 H new ATOM 390 N THR A 5 87.259 0.508 -3.685 1.00 0.00 N ATOM 391 CA THR A 5 86.079 0.404 -4.534 1.00 0.00 C ATOM 392 C THR A 5 84.808 0.766 -3.771 1.00 0.00 C ATOM 393 O THR A 5 84.650 0.401 -2.606 1.00 0.00 O ATOM 394 CB THR A 5 85.935 -1.016 -5.122 1.00 0.00 C ATOM 395 OG1 THR A 5 85.868 -1.985 -4.067 1.00 0.00 O ATOM 396 CG2 THR A 5 87.100 -1.341 -6.044 1.00 0.00 C ATOM 0 H THR A 5 87.717 -0.382 -3.490 1.00 0.00 H new ATOM 0 HA THR A 5 86.214 1.114 -5.349 1.00 0.00 H new ATOM 0 HB THR A 5 85.012 -1.051 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.099 -2.574 -4.212 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.976 -2.347 -6.446 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.126 -0.623 -6.864 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.033 -1.287 -5.484 1.00 0.00 H new ATOM 404 N PRO A 6 83.882 1.493 -4.422 1.00 0.00 N ATOM 405 CA PRO A 6 82.588 1.852 -3.827 1.00 0.00 C ATOM 406 C PRO A 6 81.807 0.623 -3.367 1.00 0.00 C ATOM 407 O PRO A 6 81.008 0.695 -2.434 1.00 0.00 O ATOM 408 CB PRO A 6 81.852 2.562 -4.967 1.00 0.00 C ATOM 409 CG PRO A 6 82.933 3.064 -5.857 1.00 0.00 C ATOM 410 CD PRO A 6 84.031 2.042 -5.782 1.00 0.00 C ATOM 0 HA PRO A 6 82.705 2.468 -2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.188 1.879 -5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.235 3.379 -4.592 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.575 3.180 -6.880 1.00 0.00 H new ATOM 0 HG3 PRO A 6 83.286 4.042 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 6 83.917 1.270 -6.543 1.00 0.00 H new ATOM 0 HD3 PRO A 6 85.012 2.493 -5.930 1.00 0.00 H new ATOM 418 N ALA A 7 82.060 -0.505 -4.023 1.00 0.00 N ATOM 419 CA ALA A 7 81.434 -1.763 -3.649 1.00 0.00 C ATOM 420 C ALA A 7 81.892 -2.194 -2.261 1.00 0.00 C ATOM 421 O ALA A 7 81.073 -2.533 -1.407 1.00 0.00 O ATOM 422 CB ALA A 7 81.753 -2.839 -4.677 1.00 0.00 C ATOM 0 H ALA A 7 82.696 -0.571 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 7 80.354 -1.620 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.278 -3.775 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.378 -2.532 -5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.832 -2.982 -4.731 1.00 0.00 H new ATOM 428 N ALA A 8 83.202 -2.160 -2.035 1.00 0.00 N ATOM 429 CA ALA A 8 83.761 -2.516 -0.740 1.00 0.00 C ATOM 430 C ALA A 8 83.478 -1.421 0.279 1.00 0.00 C ATOM 431 O ALA A 8 83.301 -1.695 1.467 1.00 0.00 O ATOM 432 CB ALA A 8 85.257 -2.765 -0.853 1.00 0.00 C ATOM 0 H ALA A 8 83.894 -1.889 -2.733 1.00 0.00 H new ATOM 0 HA ALA A 8 83.285 -3.436 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.657 -3.030 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.438 -3.581 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.750 -1.862 -1.214 1.00 0.00 H new ATOM 438 N ALA A 9 83.428 -0.181 -0.200 1.00 0.00 N ATOM 439 CA ALA A 9 83.127 0.967 0.646 1.00 0.00 C ATOM 440 C ALA A 9 81.783 0.793 1.342 1.00 0.00 C ATOM 441 O ALA A 9 81.632 1.152 2.510 1.00 0.00 O ATOM 442 CB ALA A 9 83.138 2.254 -0.169 1.00 0.00 C ATOM 0 H ALA A 9 83.594 0.054 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 9 83.902 1.033 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.911 3.099 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.123 2.394 -0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.388 2.192 -0.958 1.00 0.00 H new ATOM 448 N GLU A 10 80.816 0.226 0.625 1.00 0.00 N ATOM 449 CA GLU A 10 79.497 -0.022 1.191 1.00 0.00 C ATOM 450 C GLU A 10 79.590 -1.005 2.352 1.00 0.00 C ATOM 451 O GLU A 10 78.946 -0.820 3.379 1.00 0.00 O ATOM 452 CB GLU A 10 78.541 -0.574 0.134 1.00 0.00 C ATOM 453 CG GLU A 10 77.108 -0.689 0.628 1.00 0.00 C ATOM 454 CD GLU A 10 76.221 -1.467 -0.320 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.268 -1.203 -1.539 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.464 -2.346 0.151 1.00 0.00 O ATOM 0 H GLU A 10 80.922 -0.069 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 10 79.109 0.930 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.566 0.073 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.889 -1.557 -0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.103 -1.175 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 10 76.695 0.310 0.767 1.00 0.00 H new ATOM 463 N GLN A 11 80.407 -2.038 2.188 1.00 0.00 N ATOM 464 CA GLN A 11 80.566 -3.055 3.219 1.00 0.00 C ATOM 465 C GLN A 11 81.249 -2.465 4.449 1.00 0.00 C ATOM 466 O GLN A 11 80.881 -2.773 5.583 1.00 0.00 O ATOM 467 CB GLN A 11 81.363 -4.246 2.685 1.00 0.00 C ATOM 468 CG GLN A 11 81.408 -5.425 3.644 1.00 0.00 C ATOM 469 CD GLN A 11 82.138 -6.623 3.069 1.00 0.00 C ATOM 470 OE1 GLN A 11 82.158 -6.833 1.859 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.732 -7.424 3.939 1.00 0.00 N ATOM 0 H GLN A 11 80.969 -2.193 1.351 1.00 0.00 H new ATOM 0 HA GLN A 11 79.576 -3.407 3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.926 -4.572 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.382 -3.924 2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.897 -5.117 4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.390 -5.716 3.903 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.692 -7.213 4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 11 83.230 -8.252 3.612 1.00 0.00 H new ATOM 480 N VAL A 12 82.240 -1.612 4.217 1.00 0.00 N ATOM 481 CA VAL A 12 82.911 -0.906 5.304 1.00 0.00 C ATOM 482 C VAL A 12 81.916 -0.006 6.032 1.00 0.00 C ATOM 483 O VAL A 12 81.851 0.009 7.263 1.00 0.00 O ATOM 484 CB VAL A 12 84.092 -0.055 4.785 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.777 0.678 5.928 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.090 -0.926 4.038 1.00 0.00 C ATOM 0 H VAL A 12 82.597 -1.392 3.287 1.00 0.00 H new ATOM 0 HA VAL A 12 83.307 -1.654 5.991 1.00 0.00 H new ATOM 0 HB VAL A 12 83.695 0.689 4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.605 1.270 5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 12 84.061 1.336 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 12 85.158 -0.046 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.915 -0.309 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.476 -1.694 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.596 -1.400 3.190 1.00 0.00 H new ATOM 496 N LEU A 13 81.129 0.725 5.252 1.00 0.00 N ATOM 497 CA LEU A 13 80.081 1.584 5.790 1.00 0.00 C ATOM 498 C LEU A 13 79.062 0.759 6.569 1.00 0.00 C ATOM 499 O LEU A 13 78.596 1.165 7.630 1.00 0.00 O ATOM 500 CB LEU A 13 79.386 2.328 4.644 1.00 0.00 C ATOM 501 CG LEU A 13 78.229 3.238 5.054 1.00 0.00 C ATOM 502 CD1 LEU A 13 78.725 4.357 5.950 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.539 3.805 3.823 1.00 0.00 C ATOM 0 H LEU A 13 81.198 0.740 4.234 1.00 0.00 H new ATOM 0 HA LEU A 13 80.533 2.307 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.130 2.929 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 13 79.012 1.593 3.931 1.00 0.00 H new ATOM 0 HG LEU A 13 77.505 2.646 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 13 77.888 4.995 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 13 79.176 3.932 6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 13 79.468 4.949 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 13 76.717 4.451 4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 13 78.255 4.383 3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.150 2.988 3.215 1.00 0.00 H new ATOM 515 N LYS A 14 78.737 -0.408 6.034 1.00 0.00 N ATOM 516 CA LYS A 14 77.760 -1.301 6.638 1.00 0.00 C ATOM 517 C LYS A 14 78.283 -1.865 7.957 1.00 0.00 C ATOM 518 O LYS A 14 77.531 -2.009 8.918 1.00 0.00 O ATOM 519 CB LYS A 14 77.434 -2.429 5.658 1.00 0.00 C ATOM 520 CG LYS A 14 76.224 -3.266 6.034 1.00 0.00 C ATOM 521 CD LYS A 14 75.845 -4.193 4.892 1.00 0.00 C ATOM 522 CE LYS A 14 74.585 -4.985 5.195 1.00 0.00 C ATOM 523 NZ LYS A 14 74.125 -5.753 4.007 1.00 0.00 N ATOM 0 H LYS A 14 79.143 -0.763 5.168 1.00 0.00 H new ATOM 0 HA LYS A 14 76.851 -0.741 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.268 -1.998 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.301 -3.084 5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.442 -3.850 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.384 -2.614 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 14 75.696 -3.608 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.667 -4.881 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.775 -5.670 6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 14 73.796 -4.306 5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.263 -6.282 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.921 -5.096 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.869 -6.418 3.714 1.00 0.00 H new ATOM 537 N ALA A 15 79.576 -2.167 8.000 1.00 0.00 N ATOM 538 CA ALA A 15 80.210 -2.662 9.218 1.00 0.00 C ATOM 539 C ALA A 15 80.175 -1.599 10.311 1.00 0.00 C ATOM 540 O ALA A 15 79.980 -1.904 11.489 1.00 0.00 O ATOM 541 CB ALA A 15 81.641 -3.092 8.937 1.00 0.00 C ATOM 0 H ALA A 15 80.207 -2.078 7.204 1.00 0.00 H new ATOM 0 HA ALA A 15 79.652 -3.531 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.098 -3.458 9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 15 81.642 -3.886 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.210 -2.241 8.563 1.00 0.00 H new ATOM 547 N ALA A 16 80.363 -0.347 9.910 1.00 0.00 N ATOM 548 CA ALA A 16 80.262 0.777 10.831 1.00 0.00 C ATOM 549 C ALA A 16 78.808 1.003 11.230 1.00 0.00 C ATOM 550 O ALA A 16 78.502 1.329 12.378 1.00 0.00 O ATOM 551 CB ALA A 16 80.846 2.030 10.196 1.00 0.00 C ATOM 0 H ALA A 16 80.587 -0.085 8.950 1.00 0.00 H new ATOM 0 HA ALA A 16 80.833 0.548 11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.765 2.863 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.895 1.860 9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 16 80.297 2.266 9.284 1.00 0.00 H new ATOM 557 N LYS A 17 77.918 0.803 10.264 1.00 0.00 N ATOM 558 CA LYS A 17 76.479 0.938 10.468 1.00 0.00 C ATOM 559 C LYS A 17 75.975 -0.093 11.478 1.00 0.00 C ATOM 560 O LYS A 17 74.950 0.107 12.129 1.00 0.00 O ATOM 561 CB LYS A 17 75.759 0.760 9.127 1.00 0.00 C ATOM 562 CG LYS A 17 74.249 0.905 9.197 1.00 0.00 C ATOM 563 CD LYS A 17 73.605 0.581 7.860 1.00 0.00 C ATOM 564 CE LYS A 17 72.091 0.671 7.929 1.00 0.00 C ATOM 565 NZ LYS A 17 71.458 0.252 6.652 1.00 0.00 N ATOM 0 H LYS A 17 78.175 0.541 9.312 1.00 0.00 H new ATOM 0 HA LYS A 17 76.270 1.931 10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 17 76.149 1.492 8.420 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.998 -0.226 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.852 0.241 9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.992 1.923 9.491 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.976 1.270 7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.896 -0.423 7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.725 0.042 8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.797 1.694 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.424 0.326 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.788 0.869 5.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.718 -0.733 6.442 1.00 0.00 H new ATOM 579 N GLN A 18 76.705 -1.195 11.608 1.00 0.00 N ATOM 580 CA GLN A 18 76.361 -2.236 12.570 1.00 0.00 C ATOM 581 C GLN A 18 76.517 -1.730 14.000 1.00 0.00 C ATOM 582 O GLN A 18 75.930 -2.281 14.932 1.00 0.00 O ATOM 583 CB GLN A 18 77.222 -3.479 12.348 1.00 0.00 C ATOM 584 CG GLN A 18 76.909 -4.194 11.045 1.00 0.00 C ATOM 585 CD GLN A 18 77.768 -5.420 10.817 1.00 0.00 C ATOM 586 OE1 GLN A 18 78.924 -5.476 11.234 1.00 0.00 O ATOM 587 NE2 GLN A 18 77.200 -6.422 10.163 1.00 0.00 N ATOM 0 H GLN A 18 77.541 -1.391 11.058 1.00 0.00 H new ATOM 0 HA GLN A 18 75.316 -2.505 12.416 1.00 0.00 H new ATOM 0 HB2 GLN A 18 78.273 -3.192 12.355 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.075 -4.169 13.179 1.00 0.00 H new ATOM 0 HG2 GLN A 18 75.859 -4.488 11.042 1.00 0.00 H new ATOM 0 HG3 GLN A 18 77.048 -3.501 10.215 1.00 0.00 H new ATOM 0 HE21 GLN A 18 76.239 -6.336 9.833 1.00 0.00 H new ATOM 0 HE22 GLN A 18 77.724 -7.280 9.989 1.00 0.00 H new ATOM 596 N GLY A 19 77.303 -0.675 14.169 1.00 0.00 N ATOM 597 CA GLY A 19 77.442 -0.064 15.471 1.00 0.00 C ATOM 598 C GLY A 19 78.881 0.049 15.920 1.00 0.00 C ATOM 599 O GLY A 19 79.765 -0.619 15.380 1.00 0.00 O ATOM 0 H GLY A 19 77.845 -0.233 13.427 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.995 0.930 15.449 1.00 0.00 H new ATOM 0 HA3 GLY A 19 76.884 -0.649 16.202 1.00 0.00 H new ATOM 603 N GLY A 20 79.113 0.920 16.890 1.00 0.00 N ATOM 604 CA GLY A 20 80.421 1.053 17.493 1.00 0.00 C ATOM 605 C GLY A 20 81.343 1.957 16.707 1.00 0.00 C ATOM 606 O GLY A 20 81.781 2.999 17.198 1.00 0.00 O ATOM 0 H GLY A 20 78.406 1.546 17.275 1.00 0.00 H new ATOM 0 HA2 GLY A 20 80.311 1.445 18.504 1.00 0.00 H new ATOM 0 HA3 GLY A 20 80.876 0.067 17.582 1.00 0.00 H new ATOM 610 N THR A 21 81.615 1.573 15.478 1.00 0.00 N ATOM 611 CA THR A 21 82.596 2.260 14.659 1.00 0.00 C ATOM 612 C THR A 21 81.937 3.195 13.647 1.00 0.00 C ATOM 613 O THR A 21 82.560 3.592 12.664 1.00 0.00 O ATOM 614 CB THR A 21 83.468 1.233 13.920 1.00 0.00 C ATOM 615 OG1 THR A 21 82.630 0.309 13.214 1.00 0.00 O ATOM 616 CG2 THR A 21 84.353 0.471 14.897 1.00 0.00 C ATOM 0 H THR A 21 81.166 0.781 15.019 1.00 0.00 H new ATOM 0 HA THR A 21 83.214 2.866 15.322 1.00 0.00 H new ATOM 0 HB THR A 21 84.106 1.766 13.215 1.00 0.00 H new ATOM 0 HG1 THR A 21 83.188 -0.344 12.742 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.961 -0.250 14.351 1.00 0.00 H new ATOM 0 HG22 THR A 21 85.004 1.171 15.421 1.00 0.00 H new ATOM 0 HG23 THR A 21 83.729 -0.054 15.620 1.00 0.00 H new ATOM 624 N GLU A 22 80.687 3.568 13.908 1.00 0.00 N ATOM 625 CA GLU A 22 79.922 4.403 12.984 1.00 0.00 C ATOM 626 C GLU A 22 80.553 5.783 12.825 1.00 0.00 C ATOM 627 O GLU A 22 80.804 6.242 11.709 1.00 0.00 O ATOM 628 CB GLU A 22 78.483 4.562 13.474 1.00 0.00 C ATOM 629 CG GLU A 22 77.593 5.298 12.488 1.00 0.00 C ATOM 630 CD GLU A 22 76.272 5.716 13.091 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.431 4.837 13.366 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.065 6.932 13.290 1.00 0.00 O ATOM 0 H GLU A 22 80.181 3.305 14.753 1.00 0.00 H new ATOM 0 HA GLU A 22 79.927 3.904 12.015 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.061 3.576 13.668 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.486 5.100 14.422 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.116 6.182 12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.407 4.658 11.625 1.00 0.00 H new ATOM 639 N GLY A 23 80.811 6.441 13.948 1.00 0.00 N ATOM 640 CA GLY A 23 81.332 7.793 13.908 1.00 0.00 C ATOM 641 C GLY A 23 82.842 7.828 13.835 1.00 0.00 C ATOM 642 O GLY A 23 83.445 8.898 13.737 1.00 0.00 O ATOM 0 H GLY A 23 80.669 6.063 14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 23 80.917 8.314 13.045 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.001 8.333 14.795 1.00 0.00 H new ATOM 646 N MET A 24 83.454 6.654 13.876 1.00 0.00 N ATOM 647 CA MET A 24 84.903 6.547 13.825 1.00 0.00 C ATOM 648 C MET A 24 85.374 6.559 12.381 1.00 0.00 C ATOM 649 O MET A 24 84.634 6.170 11.477 1.00 0.00 O ATOM 650 CB MET A 24 85.378 5.266 14.516 1.00 0.00 C ATOM 651 CG MET A 24 84.936 5.159 15.966 1.00 0.00 C ATOM 652 SD MET A 24 85.627 3.718 16.801 1.00 0.00 S ATOM 653 CE MET A 24 87.360 4.168 16.863 1.00 0.00 C ATOM 0 H MET A 24 82.967 5.760 13.945 1.00 0.00 H new ATOM 0 HA MET A 24 85.329 7.402 14.350 1.00 0.00 H new ATOM 0 HB2 MET A 24 85.001 4.404 13.965 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.466 5.221 14.472 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.235 6.061 16.500 1.00 0.00 H new ATOM 0 HG3 MET A 24 83.848 5.110 16.007 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.860 3.584 17.635 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.823 3.965 15.897 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.452 5.229 17.094 1.00 0.00 H new ATOM 663 N CYS A 25 86.592 7.013 12.163 1.00 0.00 N ATOM 664 CA CYS A 25 87.144 7.073 10.823 1.00 0.00 C ATOM 665 C CYS A 25 87.915 5.795 10.519 1.00 0.00 C ATOM 666 O CYS A 25 88.459 5.155 11.426 1.00 0.00 O ATOM 667 CB CYS A 25 88.052 8.293 10.677 1.00 0.00 C ATOM 668 SG CYS A 25 88.595 8.613 8.983 1.00 0.00 S ATOM 0 H CYS A 25 87.219 7.346 12.896 1.00 0.00 H new ATOM 0 HA CYS A 25 86.326 7.166 10.109 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.525 9.171 11.050 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.930 8.156 11.308 1.00 0.00 H new ATOM 0 HG CYS A 25 88.616 9.895 8.769 1.00 0.00 H new ATOM 674 N LEU A 26 87.953 5.421 9.248 1.00 0.00 N ATOM 675 CA LEU A 26 88.636 4.212 8.829 1.00 0.00 C ATOM 676 C LEU A 26 90.140 4.439 8.811 1.00 0.00 C ATOM 677 O LEU A 26 90.639 5.286 8.071 1.00 0.00 O ATOM 678 CB LEU A 26 88.157 3.784 7.439 1.00 0.00 C ATOM 679 CG LEU A 26 88.729 2.462 6.927 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.202 1.300 7.752 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.393 2.270 5.457 1.00 0.00 C ATOM 0 H LEU A 26 87.516 5.942 8.488 1.00 0.00 H new ATOM 0 HA LEU A 26 88.405 3.419 9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.070 3.708 7.455 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.411 4.570 6.728 1.00 0.00 H new ATOM 0 HG LEU A 26 89.814 2.492 7.030 1.00 0.00 H new ATOM 0 HD11 LEU A 26 88.619 0.367 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 26 88.493 1.432 8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.115 1.267 7.681 1.00 0.00 H new ATOM 0 HD21 LEU A 26 88.808 1.324 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.311 2.260 5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.819 3.088 4.876 1.00 0.00 H new ATOM 693 N ARG A 27 90.860 3.692 9.630 1.00 0.00 N ATOM 694 CA ARG A 27 92.304 3.807 9.680 1.00 0.00 C ATOM 695 C ARG A 27 92.937 2.484 9.277 1.00 0.00 C ATOM 696 O ARG A 27 92.505 1.411 9.709 1.00 0.00 O ATOM 697 CB ARG A 27 92.781 4.249 11.070 1.00 0.00 C ATOM 698 CG ARG A 27 94.262 4.597 11.106 1.00 0.00 C ATOM 699 CD ARG A 27 94.544 5.808 11.984 1.00 0.00 C ATOM 700 NE ARG A 27 94.672 5.466 13.400 1.00 0.00 N ATOM 701 CZ ARG A 27 95.655 5.921 14.179 1.00 0.00 C ATOM 702 NH1 ARG A 27 96.558 6.765 13.695 1.00 0.00 N ATOM 703 NH2 ARG A 27 95.725 5.551 15.449 1.00 0.00 N ATOM 0 H ARG A 27 90.467 3.000 10.268 1.00 0.00 H new ATOM 0 HA ARG A 27 92.617 4.576 8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.202 5.116 11.389 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.583 3.452 11.787 1.00 0.00 H new ATOM 0 HG2 ARG A 27 94.826 3.741 11.477 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.612 4.795 10.093 1.00 0.00 H new ATOM 0 HD2 ARG A 27 95.462 6.289 11.647 1.00 0.00 H new ATOM 0 HD3 ARG A 27 93.740 6.534 11.862 1.00 0.00 H new ATOM 0 HE ARG A 27 93.974 4.848 13.813 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.503 7.069 12.723 1.00 0.00 H new ATOM 0 HH12 ARG A 27 97.307 7.110 14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 27 95.026 4.916 15.835 1.00 0.00 H new ATOM 0 HH22 ARG A 27 96.478 5.901 16.041 1.00 0.00 H new ATOM 717 N LEU A 28 93.945 2.559 8.430 1.00 0.00 N ATOM 718 CA LEU A 28 94.577 1.366 7.901 1.00 0.00 C ATOM 719 C LEU A 28 95.965 1.184 8.494 1.00 0.00 C ATOM 720 O LEU A 28 96.715 2.148 8.659 1.00 0.00 O ATOM 721 CB LEU A 28 94.659 1.445 6.376 1.00 0.00 C ATOM 722 CG LEU A 28 93.323 1.645 5.658 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.539 1.733 4.157 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.361 0.516 5.991 1.00 0.00 C ATOM 0 H LEU A 28 94.344 3.435 8.093 1.00 0.00 H new ATOM 0 HA LEU A 28 93.971 0.504 8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.324 2.266 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.118 0.528 6.005 1.00 0.00 H new ATOM 0 HG LEU A 28 92.884 2.581 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.580 1.875 3.659 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.193 2.576 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 28 93.999 0.811 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.417 0.677 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 28 92.792 -0.434 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.183 0.495 7.066 1.00 0.00 H new ATOM 736 N ALA A 29 96.295 -0.054 8.821 1.00 0.00 N ATOM 737 CA ALA A 29 97.599 -0.384 9.365 1.00 0.00 C ATOM 738 C ALA A 29 98.391 -1.200 8.356 1.00 0.00 C ATOM 739 O ALA A 29 97.815 -1.942 7.560 1.00 0.00 O ATOM 740 CB ALA A 29 97.456 -1.145 10.675 1.00 0.00 C ATOM 0 H ALA A 29 95.670 -0.853 8.717 1.00 0.00 H new ATOM 0 HA ALA A 29 98.138 0.541 9.568 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.445 -1.383 11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 29 96.918 -0.530 11.396 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.902 -2.068 10.501 1.00 0.00 H new ATOM 746 N ALA A 30 99.703 -1.061 8.388 1.00 0.00 N ATOM 747 CA ALA A 30 100.564 -1.757 7.451 1.00 0.00 C ATOM 748 C ALA A 30 101.732 -2.400 8.181 1.00 0.00 C ATOM 749 O ALA A 30 102.443 -1.741 8.942 1.00 0.00 O ATOM 750 CB ALA A 30 101.062 -0.797 6.382 1.00 0.00 C ATOM 0 H ALA A 30 100.197 -0.470 9.056 1.00 0.00 H new ATOM 0 HA ALA A 30 99.989 -2.545 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.707 -1.332 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.212 -0.380 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.625 0.010 6.851 1.00 0.00 H new ATOM 756 N GLY A 31 101.922 -3.686 7.946 1.00 0.00 N ATOM 757 CA GLY A 31 102.994 -4.414 8.588 1.00 0.00 C ATOM 758 C GLY A 31 103.857 -5.131 7.576 1.00 0.00 C ATOM 759 O GLY A 31 103.534 -5.152 6.389 1.00 0.00 O ATOM 0 H GLY A 31 101.347 -4.245 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.607 -3.725 9.168 1.00 0.00 H new ATOM 0 HA3 GLY A 31 102.576 -5.136 9.289 1.00 0.00 H new ATOM 763 N ARG A 32 104.949 -5.722 8.032 1.00 0.00 N ATOM 764 CA ARG A 32 105.857 -6.418 7.133 1.00 0.00 C ATOM 765 C ARG A 32 106.382 -7.706 7.736 1.00 0.00 C ATOM 766 O ARG A 32 106.719 -7.764 8.919 1.00 0.00 O ATOM 767 CB ARG A 32 107.063 -5.547 6.773 1.00 0.00 C ATOM 768 CG ARG A 32 106.835 -4.579 5.628 1.00 0.00 C ATOM 769 CD ARG A 32 108.160 -3.999 5.156 1.00 0.00 C ATOM 770 NE ARG A 32 108.008 -3.085 4.029 1.00 0.00 N ATOM 771 CZ ARG A 32 108.349 -3.388 2.777 1.00 0.00 C ATOM 772 NH1 ARG A 32 108.795 -4.604 2.480 1.00 0.00 N ATOM 773 NH2 ARG A 32 108.246 -2.477 1.822 1.00 0.00 N ATOM 0 H ARG A 32 105.228 -5.735 9.013 1.00 0.00 H new ATOM 0 HA ARG A 32 105.274 -6.644 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 32 107.359 -4.979 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.899 -6.198 6.518 1.00 0.00 H new ATOM 0 HG2 ARG A 32 106.340 -5.091 4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 32 106.172 -3.775 5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 32 108.636 -3.472 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 32 108.826 -4.813 4.870 1.00 0.00 H new ATOM 0 HE ARG A 32 107.618 -2.160 4.210 1.00 0.00 H new ATOM 0 HH11 ARG A 32 108.877 -5.310 3.212 1.00 0.00 H new ATOM 0 HH12 ARG A 32 109.055 -4.832 1.520 1.00 0.00 H new ATOM 0 HH21 ARG A 32 107.905 -1.542 2.044 1.00 0.00 H new ATOM 0 HH22 ARG A 32 108.507 -2.710 0.864 1.00 0.00 H new ATOM 787 N ASN A 33 106.426 -8.735 6.913 1.00 0.00 N ATOM 788 CA ASN A 33 107.276 -9.880 7.166 1.00 0.00 C ATOM 789 C ASN A 33 108.551 -9.642 6.385 1.00 0.00 C ATOM 790 O ASN A 33 108.571 -9.877 5.178 1.00 0.00 O ATOM 791 CB ASN A 33 106.626 -11.192 6.706 1.00 0.00 C ATOM 792 CG ASN A 33 105.417 -11.585 7.528 1.00 0.00 C ATOM 793 OD1 ASN A 33 105.537 -12.291 8.529 1.00 0.00 O ATOM 794 ND2 ASN A 33 104.246 -11.142 7.107 1.00 0.00 N ATOM 0 H ASN A 33 105.877 -8.801 6.056 1.00 0.00 H new ATOM 0 HA ASN A 33 107.458 -9.980 8.236 1.00 0.00 H new ATOM 0 HB2 ASN A 33 106.330 -11.095 5.661 1.00 0.00 H new ATOM 0 HB3 ASN A 33 107.365 -11.992 6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 33 103.396 -11.383 7.617 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.192 -10.559 6.272 1.00 0.00 H new ATOM 834 N SER A 37 106.356 -11.020 2.947 1.00 0.00 N ATOM 835 CA SER A 37 104.921 -10.756 2.902 1.00 0.00 C ATOM 836 C SER A 37 104.574 -9.459 3.630 1.00 0.00 C ATOM 837 O SER A 37 104.868 -9.304 4.815 1.00 0.00 O ATOM 838 CB SER A 37 104.148 -11.921 3.526 1.00 0.00 C ATOM 839 OG SER A 37 104.452 -13.144 2.875 1.00 0.00 O ATOM 0 HA SER A 37 104.634 -10.650 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 37 104.394 -11.999 4.585 1.00 0.00 H new ATOM 0 HB3 SER A 37 103.077 -11.727 3.461 1.00 0.00 H new ATOM 0 HG SER A 37 105.343 -13.087 2.471 1.00 0.00 H new ATOM 845 N ILE A 38 103.961 -8.530 2.915 1.00 0.00 N ATOM 846 CA ILE A 38 103.507 -7.279 3.506 1.00 0.00 C ATOM 847 C ILE A 38 102.060 -7.418 3.985 1.00 0.00 C ATOM 848 O ILE A 38 101.241 -8.067 3.335 1.00 0.00 O ATOM 849 CB ILE A 38 103.612 -6.111 2.497 1.00 0.00 C ATOM 850 CG1 ILE A 38 105.047 -5.985 1.977 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.165 -4.802 3.136 1.00 0.00 C ATOM 852 CD1 ILE A 38 105.228 -4.904 0.931 1.00 0.00 C ATOM 0 H ILE A 38 103.765 -8.619 1.918 1.00 0.00 H new ATOM 0 HA ILE A 38 104.152 -7.057 4.356 1.00 0.00 H new ATOM 0 HB ILE A 38 102.951 -6.325 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.711 -5.779 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 38 105.355 -6.941 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 38 103.247 -3.995 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.129 -4.892 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.798 -4.582 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 38 106.270 -4.877 0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 38 104.592 -5.118 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 38 104.953 -3.938 1.355 1.00 0.00 H new ATOM 864 N ASP A 39 101.750 -6.819 5.127 1.00 0.00 N ATOM 865 CA ASP A 39 100.415 -6.922 5.705 1.00 0.00 C ATOM 866 C ASP A 39 99.684 -5.593 5.631 1.00 0.00 C ATOM 867 O ASP A 39 100.271 -4.538 5.866 1.00 0.00 O ATOM 868 CB ASP A 39 100.482 -7.378 7.164 1.00 0.00 C ATOM 869 CG ASP A 39 100.877 -8.830 7.309 1.00 0.00 C ATOM 870 OD1 ASP A 39 99.991 -9.705 7.204 1.00 0.00 O ATOM 871 OD2 ASP A 39 102.068 -9.106 7.554 1.00 0.00 O ATOM 0 H ASP A 39 102.404 -6.257 5.672 1.00 0.00 H new ATOM 0 HA ASP A 39 99.868 -7.664 5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.198 -6.756 7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 39 99.510 -7.222 7.633 1.00 0.00 H new ATOM 876 N TYR A 40 98.403 -5.654 5.303 1.00 0.00 N ATOM 877 CA TYR A 40 97.551 -4.475 5.293 1.00 0.00 C ATOM 878 C TYR A 40 96.290 -4.755 6.099 1.00 0.00 C ATOM 879 O TYR A 40 95.486 -5.607 5.726 1.00 0.00 O ATOM 880 CB TYR A 40 97.175 -4.084 3.859 1.00 0.00 C ATOM 881 CG TYR A 40 98.359 -3.833 2.951 1.00 0.00 C ATOM 882 CD1 TYR A 40 99.215 -2.763 3.171 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.613 -4.663 1.865 1.00 0.00 C ATOM 884 CE1 TYR A 40 100.288 -2.525 2.335 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.686 -4.433 1.027 1.00 0.00 C ATOM 886 CZ TYR A 40 100.521 -3.363 1.266 1.00 0.00 C ATOM 887 OH TYR A 40 101.589 -3.128 0.431 1.00 0.00 O ATOM 0 H TYR A 40 97.927 -6.516 5.038 1.00 0.00 H new ATOM 0 HA TYR A 40 98.098 -3.645 5.741 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.563 -4.876 3.428 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.559 -3.186 3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 40 99.039 -2.106 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.960 -5.502 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 40 100.942 -1.685 2.518 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.870 -5.088 0.188 1.00 0.00 H new ATOM 0 HH TYR A 40 102.310 -2.698 0.936 1.00 0.00 H new ATOM 897 N ARG A 41 96.119 -4.058 7.212 1.00 0.00 N ATOM 898 CA ARG A 41 94.984 -4.307 8.087 1.00 0.00 C ATOM 899 C ARG A 41 94.007 -3.140 8.042 1.00 0.00 C ATOM 900 O ARG A 41 94.407 -1.978 8.093 1.00 0.00 O ATOM 901 CB ARG A 41 95.452 -4.547 9.524 1.00 0.00 C ATOM 902 CG ARG A 41 94.474 -5.377 10.344 1.00 0.00 C ATOM 903 CD ARG A 41 94.954 -5.581 11.772 1.00 0.00 C ATOM 904 NE ARG A 41 94.256 -6.691 12.416 1.00 0.00 N ATOM 905 CZ ARG A 41 93.463 -6.575 13.481 1.00 0.00 C ATOM 906 NH1 ARG A 41 93.240 -5.388 14.032 1.00 0.00 N ATOM 907 NH2 ARG A 41 92.880 -7.658 13.979 1.00 0.00 N ATOM 0 H ARG A 41 96.747 -3.320 7.529 1.00 0.00 H new ATOM 0 HA ARG A 41 94.474 -5.203 7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.418 -5.051 9.505 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.603 -3.586 10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 41 93.502 -4.884 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 41 94.334 -6.347 9.867 1.00 0.00 H new ATOM 0 HD2 ARG A 41 96.027 -5.774 11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 41 94.795 -4.668 12.345 1.00 0.00 H new ATOM 0 HE ARG A 41 94.385 -7.623 12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 41 93.677 -4.554 13.640 1.00 0.00 H new ATOM 0 HH12 ARG A 41 92.631 -5.310 14.847 1.00 0.00 H new ATOM 0 HH21 ARG A 41 93.041 -8.568 13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 41 92.271 -7.581 14.794 1.00 0.00 H new ATOM 921 N MET A 42 92.725 -3.459 7.952 1.00 0.00 N ATOM 922 CA MET A 42 91.679 -2.445 7.892 1.00 0.00 C ATOM 923 C MET A 42 90.921 -2.401 9.213 1.00 0.00 C ATOM 924 O MET A 42 90.578 -3.445 9.768 1.00 0.00 O ATOM 925 CB MET A 42 90.702 -2.771 6.754 1.00 0.00 C ATOM 926 CG MET A 42 89.554 -1.782 6.625 1.00 0.00 C ATOM 927 SD MET A 42 88.166 -2.437 5.676 1.00 0.00 S ATOM 928 CE MET A 42 88.962 -2.833 4.124 1.00 0.00 C ATOM 0 H MET A 42 92.381 -4.418 7.919 1.00 0.00 H new ATOM 0 HA MET A 42 92.139 -1.474 7.708 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.252 -2.799 5.813 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.293 -3.769 6.914 1.00 0.00 H new ATOM 0 HG2 MET A 42 89.208 -1.503 7.620 1.00 0.00 H new ATOM 0 HG3 MET A 42 89.917 -0.872 6.147 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.204 -3.028 3.365 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.583 -1.994 3.809 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.585 -3.719 4.250 1.00 0.00 H new ATOM 938 N GLY A 43 90.682 -1.202 9.733 1.00 0.00 N ATOM 939 CA GLY A 43 89.885 -1.076 10.934 1.00 0.00 C ATOM 940 C GLY A 43 89.512 0.358 11.237 1.00 0.00 C ATOM 941 O GLY A 43 89.898 1.272 10.514 1.00 0.00 O ATOM 0 H GLY A 43 91.024 -0.322 9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 43 88.977 -1.669 10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.438 -1.490 11.777 1.00 0.00 H new ATOM 945 N PHE A 44 88.749 0.556 12.294 1.00 0.00 N ATOM 946 CA PHE A 44 88.405 1.892 12.746 1.00 0.00 C ATOM 947 C PHE A 44 89.164 2.192 14.025 1.00 0.00 C ATOM 948 O PHE A 44 89.113 1.416 14.979 1.00 0.00 O ATOM 949 CB PHE A 44 86.899 2.024 12.974 1.00 0.00 C ATOM 950 CG PHE A 44 86.078 1.887 11.720 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.683 0.640 11.264 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.695 3.009 11.006 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.925 0.516 10.116 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.938 2.892 9.857 1.00 0.00 C ATOM 955 CZ PHE A 44 84.551 1.644 9.412 1.00 0.00 C ATOM 0 H PHE A 44 88.353 -0.195 12.859 1.00 0.00 H new ATOM 0 HA PHE A 44 88.685 2.611 11.976 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.582 1.265 13.689 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.694 2.994 13.427 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.971 -0.245 11.812 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.992 3.988 11.352 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.625 -0.462 9.769 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.649 3.776 9.307 1.00 0.00 H new ATOM 0 HZ PHE A 44 83.957 1.550 8.515 1.00 0.00 H new ATOM 965 N ASP A 45 89.871 3.306 14.044 1.00 0.00 N ATOM 966 CA ASP A 45 90.746 3.624 15.161 1.00 0.00 C ATOM 967 C ASP A 45 90.653 5.112 15.473 1.00 0.00 C ATOM 968 O ASP A 45 89.798 5.808 14.919 1.00 0.00 O ATOM 969 CB ASP A 45 92.187 3.218 14.827 1.00 0.00 C ATOM 970 CG ASP A 45 93.056 3.052 16.059 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.993 1.984 16.698 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.809 3.988 16.391 1.00 0.00 O ATOM 0 H ASP A 45 89.858 4.005 13.302 1.00 0.00 H new ATOM 0 HA ASP A 45 90.433 3.066 16.044 1.00 0.00 H new ATOM 0 HB2 ASP A 45 92.175 2.282 14.269 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.629 3.972 14.176 1.00 0.00 H new ATOM 977 N ASP A 46 91.518 5.599 16.344 1.00 0.00 N ATOM 978 CA ASP A 46 91.466 6.990 16.768 1.00 0.00 C ATOM 979 C ASP A 46 92.015 7.897 15.677 1.00 0.00 C ATOM 980 O ASP A 46 93.152 7.734 15.238 1.00 0.00 O ATOM 981 CB ASP A 46 92.255 7.190 18.062 1.00 0.00 C ATOM 982 CG ASP A 46 91.992 8.543 18.689 1.00 0.00 C ATOM 983 OD1 ASP A 46 90.880 8.743 19.225 1.00 0.00 O ATOM 984 OD2 ASP A 46 92.884 9.413 18.650 1.00 0.00 O ATOM 0 H ASP A 46 92.266 5.053 16.773 1.00 0.00 H new ATOM 0 HA ASP A 46 90.424 7.251 16.953 1.00 0.00 H new ATOM 0 HB2 ASP A 46 91.991 6.405 18.771 1.00 0.00 H new ATOM 0 HB3 ASP A 46 93.320 7.088 17.855 1.00 0.00 H new ATOM 989 N LEU A 47 91.191 8.828 15.228 1.00 0.00 N ATOM 990 CA LEU A 47 91.597 9.777 14.205 1.00 0.00 C ATOM 991 C LEU A 47 92.516 10.818 14.830 1.00 0.00 C ATOM 992 O LEU A 47 92.059 11.687 15.575 1.00 0.00 O ATOM 993 CB LEU A 47 90.351 10.445 13.595 1.00 0.00 C ATOM 994 CG LEU A 47 90.538 11.154 12.242 1.00 0.00 C ATOM 995 CD1 LEU A 47 89.186 11.544 11.671 1.00 0.00 C ATOM 996 CD2 LEU A 47 91.411 12.394 12.369 1.00 0.00 C ATOM 0 H LEU A 47 90.233 8.947 15.557 1.00 0.00 H new ATOM 0 HA LEU A 47 92.135 9.262 13.409 1.00 0.00 H new ATOM 0 HB2 LEU A 47 89.581 9.683 13.476 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.971 11.174 14.311 1.00 0.00 H new ATOM 0 HG LEU A 47 91.039 10.456 11.571 1.00 0.00 H new ATOM 0 HD11 LEU A 47 89.326 12.045 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 47 88.580 10.649 11.527 1.00 0.00 H new ATOM 0 HD13 LEU A 47 88.680 12.218 12.362 1.00 0.00 H new ATOM 0 HD21 LEU A 47 91.518 12.865 11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 47 90.947 13.096 13.062 1.00 0.00 H new ATOM 0 HD23 LEU A 47 92.394 12.110 12.745 1.00 0.00 H new ATOM 1008 N THR A 48 93.806 10.726 14.546 1.00 0.00 N ATOM 1009 CA THR A 48 94.755 11.674 15.094 1.00 0.00 C ATOM 1010 C THR A 48 95.080 12.744 14.058 1.00 0.00 C ATOM 1011 O THR A 48 94.672 12.642 12.901 1.00 0.00 O ATOM 1012 CB THR A 48 96.056 10.986 15.567 1.00 0.00 C ATOM 1013 OG1 THR A 48 96.839 10.545 14.449 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.747 9.793 16.464 1.00 0.00 C ATOM 0 H THR A 48 94.214 10.010 13.945 1.00 0.00 H new ATOM 0 HA THR A 48 94.291 12.135 15.966 1.00 0.00 H new ATOM 0 HB THR A 48 96.625 11.722 16.134 1.00 0.00 H new ATOM 0 HG1 THR A 48 96.359 9.836 13.973 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.679 9.327 16.783 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.192 10.130 17.339 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.149 9.068 15.912 1.00 0.00 H new ATOM 1022 N GLU A 49 95.817 13.762 14.466 1.00 0.00 N ATOM 1023 CA GLU A 49 96.165 14.852 13.567 1.00 0.00 C ATOM 1024 C GLU A 49 97.338 14.446 12.676 1.00 0.00 C ATOM 1025 O GLU A 49 97.723 15.164 11.752 1.00 0.00 O ATOM 1026 CB GLU A 49 96.522 16.095 14.379 1.00 0.00 C ATOM 1027 CG GLU A 49 96.655 17.354 13.544 1.00 0.00 C ATOM 1028 CD GLU A 49 97.165 18.524 14.347 1.00 0.00 C ATOM 1029 OE1 GLU A 49 96.353 19.173 15.039 1.00 0.00 O ATOM 1030 OE2 GLU A 49 98.381 18.803 14.287 1.00 0.00 O ATOM 0 H GLU A 49 96.186 13.858 15.412 1.00 0.00 H new ATOM 0 HA GLU A 49 95.309 15.077 12.931 1.00 0.00 H new ATOM 0 HB2 GLU A 49 95.757 16.253 15.139 1.00 0.00 H new ATOM 0 HB3 GLU A 49 97.461 15.917 14.904 1.00 0.00 H new ATOM 0 HG2 GLU A 49 97.333 17.165 12.712 1.00 0.00 H new ATOM 0 HG3 GLU A 49 95.685 17.606 13.115 1.00 0.00 H new ATOM 1037 N ASP A 50 97.890 13.275 12.955 1.00 0.00 N ATOM 1038 CA ASP A 50 99.068 12.792 12.249 1.00 0.00 C ATOM 1039 C ASP A 50 98.684 11.981 11.026 1.00 0.00 C ATOM 1040 O ASP A 50 99.521 11.700 10.171 1.00 0.00 O ATOM 1041 CB ASP A 50 99.926 11.929 13.174 1.00 0.00 C ATOM 1042 CG ASP A 50 100.526 12.713 14.316 1.00 0.00 C ATOM 1043 OD1 ASP A 50 99.850 12.866 15.357 1.00 0.00 O ATOM 1044 OD2 ASP A 50 101.679 13.170 14.184 1.00 0.00 O ATOM 0 H ASP A 50 97.539 12.638 13.670 1.00 0.00 H new ATOM 0 HA ASP A 50 99.637 13.664 11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 50 99.317 11.119 13.576 1.00 0.00 H new ATOM 0 HB3 ASP A 50 100.727 11.469 12.595 1.00 0.00 H new ATOM 1049 N ASP A 51 97.419 11.606 10.946 1.00 0.00 N ATOM 1050 CA ASP A 51 96.951 10.749 9.867 1.00 0.00 C ATOM 1051 C ASP A 51 96.652 11.561 8.616 1.00 0.00 C ATOM 1052 O ASP A 51 96.052 12.635 8.687 1.00 0.00 O ATOM 1053 CB ASP A 51 95.696 9.983 10.290 1.00 0.00 C ATOM 1054 CG ASP A 51 95.922 9.085 11.491 1.00 0.00 C ATOM 1055 OD1 ASP A 51 96.551 8.016 11.332 1.00 0.00 O ATOM 1056 OD2 ASP A 51 95.463 9.438 12.598 1.00 0.00 O ATOM 0 H ASP A 51 96.698 11.880 11.613 1.00 0.00 H new ATOM 0 HA ASP A 51 97.746 10.038 9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 51 94.904 10.695 10.521 1.00 0.00 H new ATOM 0 HB3 ASP A 51 95.347 9.379 9.453 1.00 0.00 H new ATOM 1061 N ILE A 52 97.090 11.055 7.472 1.00 0.00 N ATOM 1062 CA ILE A 52 96.752 11.658 6.195 1.00 0.00 C ATOM 1063 C ILE A 52 95.321 11.281 5.836 1.00 0.00 C ATOM 1064 O ILE A 52 94.940 10.113 5.918 1.00 0.00 O ATOM 1065 CB ILE A 52 97.715 11.213 5.071 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.154 11.612 5.423 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.300 11.822 3.735 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.164 11.283 4.344 1.00 0.00 C ATOM 0 H ILE A 52 97.681 10.227 7.404 1.00 0.00 H new ATOM 0 HA ILE A 52 96.847 12.740 6.290 1.00 0.00 H new ATOM 0 HB ILE A 52 97.666 10.128 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.185 12.683 5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.445 11.108 6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.990 11.497 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.291 11.496 3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.322 12.909 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.157 11.595 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.163 10.209 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.900 11.808 3.426 1.00 0.00 H new ATOM 1080 N ARG A 53 94.533 12.273 5.452 1.00 0.00 N ATOM 1081 CA ARG A 53 93.099 12.085 5.286 1.00 0.00 C ATOM 1082 C ARG A 53 92.732 11.900 3.818 1.00 0.00 C ATOM 1083 O ARG A 53 92.897 12.808 3.002 1.00 0.00 O ATOM 1084 CB ARG A 53 92.357 13.283 5.876 1.00 0.00 C ATOM 1085 CG ARG A 53 92.893 13.700 7.236 1.00 0.00 C ATOM 1086 CD ARG A 53 92.166 14.914 7.780 1.00 0.00 C ATOM 1087 NE ARG A 53 92.868 15.508 8.917 1.00 0.00 N ATOM 1088 CZ ARG A 53 92.288 15.826 10.070 1.00 0.00 C ATOM 1089 NH1 ARG A 53 91.022 15.492 10.301 1.00 0.00 N ATOM 1090 NH2 ARG A 53 92.993 16.445 11.008 1.00 0.00 N ATOM 0 H ARG A 53 94.862 13.217 5.249 1.00 0.00 H new ATOM 0 HA ARG A 53 92.803 11.179 5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.432 14.125 5.188 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.299 13.039 5.967 1.00 0.00 H new ATOM 0 HG2 ARG A 53 92.791 12.871 7.937 1.00 0.00 H new ATOM 0 HG3 ARG A 53 93.958 13.920 7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 53 92.061 15.658 6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 53 91.159 14.628 8.085 1.00 0.00 H new ATOM 0 HE ARG A 53 93.867 15.690 8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 53 90.490 14.989 9.591 1.00 0.00 H new ATOM 0 HH12 ARG A 53 90.583 15.739 11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 53 93.973 16.674 10.842 1.00 0.00 H new ATOM 0 HH22 ARG A 53 92.555 16.692 11.895 1.00 0.00 H new ATOM 1104 N LEU A 54 92.238 10.715 3.496 1.00 0.00 N ATOM 1105 CA LEU A 54 91.813 10.386 2.146 1.00 0.00 C ATOM 1106 C LEU A 54 90.303 10.186 2.111 1.00 0.00 C ATOM 1107 O LEU A 54 89.650 10.113 3.153 1.00 0.00 O ATOM 1108 CB LEU A 54 92.511 9.110 1.663 1.00 0.00 C ATOM 1109 CG LEU A 54 94.039 9.167 1.618 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.606 7.800 1.271 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.507 10.207 0.610 1.00 0.00 C ATOM 0 H LEU A 54 92.121 9.954 4.165 1.00 0.00 H new ATOM 0 HA LEU A 54 92.085 11.210 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.215 8.287 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.145 8.873 0.664 1.00 0.00 H new ATOM 0 HG LEU A 54 94.403 9.457 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.694 7.854 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.299 7.076 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.232 7.488 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.597 10.232 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.134 9.947 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 54 94.126 11.187 0.895 1.00 0.00 H new ATOM 1123 N THR A 55 89.745 10.105 0.915 1.00 0.00 N ATOM 1124 CA THR A 55 88.322 9.867 0.753 1.00 0.00 C ATOM 1125 C THR A 55 88.065 9.019 -0.489 1.00 0.00 C ATOM 1126 O THR A 55 88.331 9.449 -1.611 1.00 0.00 O ATOM 1127 CB THR A 55 87.541 11.195 0.651 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.858 12.030 1.775 1.00 0.00 O ATOM 1129 CG2 THR A 55 86.041 10.946 0.616 1.00 0.00 C ATOM 0 H THR A 55 90.259 10.201 0.039 1.00 0.00 H new ATOM 0 HA THR A 55 87.971 9.330 1.634 1.00 0.00 H new ATOM 0 HB THR A 55 87.832 11.691 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.362 12.873 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.516 11.898 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.795 10.329 -0.248 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.736 10.432 1.527 1.00 0.00 H new ATOM 1137 N SER A 56 87.572 7.805 -0.273 1.00 0.00 N ATOM 1138 CA SER A 56 87.277 6.887 -1.365 1.00 0.00 C ATOM 1139 C SER A 56 86.119 7.406 -2.204 1.00 0.00 C ATOM 1140 O SER A 56 86.240 7.593 -3.415 1.00 0.00 O ATOM 1141 CB SER A 56 86.944 5.505 -0.798 1.00 0.00 C ATOM 1142 OG SER A 56 85.978 5.600 0.242 1.00 0.00 O ATOM 0 H SER A 56 87.367 7.433 0.654 1.00 0.00 H new ATOM 0 HA SER A 56 88.154 6.810 -2.007 1.00 0.00 H new ATOM 0 HB2 SER A 56 86.565 4.863 -1.593 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.851 5.037 -0.415 1.00 0.00 H new ATOM 0 HG SER A 56 85.780 4.705 0.588 1.00 0.00 H new ATOM 1148 N GLU A 57 85.012 7.646 -1.524 1.00 0.00 N ATOM 1149 CA GLU A 57 83.787 8.126 -2.138 1.00 0.00 C ATOM 1150 C GLU A 57 82.703 8.159 -1.080 1.00 0.00 C ATOM 1151 O GLU A 57 81.925 9.106 -0.990 1.00 0.00 O ATOM 1152 CB GLU A 57 83.349 7.214 -3.288 1.00 0.00 C ATOM 1153 CG GLU A 57 82.113 7.710 -4.013 1.00 0.00 C ATOM 1154 CD GLU A 57 81.635 6.740 -5.065 1.00 0.00 C ATOM 1155 OE1 GLU A 57 82.256 6.676 -6.146 1.00 0.00 O ATOM 1156 OE2 GLU A 57 80.632 6.040 -4.816 1.00 0.00 O ATOM 0 H GLU A 57 84.938 7.511 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 57 83.961 9.122 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.168 7.123 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 57 83.155 6.215 -2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 57 81.315 7.880 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 57 82.330 8.671 -4.480 1.00 0.00 H new ATOM 1163 N GLY A 58 82.687 7.115 -0.264 1.00 0.00 N ATOM 1164 CA GLY A 58 81.689 7.000 0.781 1.00 0.00 C ATOM 1165 C GLY A 58 82.305 6.795 2.148 1.00 0.00 C ATOM 1166 O GLY A 58 81.619 6.885 3.167 1.00 0.00 O ATOM 0 H GLY A 58 83.351 6.342 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.075 7.900 0.794 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.026 6.165 0.556 1.00 0.00 H new ATOM 1170 N VAL A 59 83.601 6.512 2.177 1.00 0.00 N ATOM 1171 CA VAL A 59 84.300 6.274 3.432 1.00 0.00 C ATOM 1172 C VAL A 59 85.556 7.135 3.520 1.00 0.00 C ATOM 1173 O VAL A 59 86.340 7.206 2.566 1.00 0.00 O ATOM 1174 CB VAL A 59 84.691 4.785 3.592 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.376 4.544 4.928 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.474 3.883 3.452 1.00 0.00 C ATOM 0 H VAL A 59 84.189 6.442 1.346 1.00 0.00 H new ATOM 0 HA VAL A 59 83.616 6.543 4.237 1.00 0.00 H new ATOM 0 HB VAL A 59 85.393 4.539 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.641 3.490 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.279 5.151 4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.700 4.817 5.738 1.00 0.00 H new ATOM 0 HG21 VAL A 59 83.777 2.842 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.743 4.136 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.029 4.023 2.467 1.00 0.00 H new ATOM 1186 N GLU A 60 85.729 7.794 4.657 1.00 0.00 N ATOM 1187 CA GLU A 60 86.924 8.582 4.917 1.00 0.00 C ATOM 1188 C GLU A 60 88.028 7.667 5.427 1.00 0.00 C ATOM 1189 O GLU A 60 87.773 6.765 6.226 1.00 0.00 O ATOM 1190 CB GLU A 60 86.628 9.678 5.944 1.00 0.00 C ATOM 1191 CG GLU A 60 87.797 10.619 6.189 1.00 0.00 C ATOM 1192 CD GLU A 60 87.512 11.624 7.285 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.736 12.569 7.041 1.00 0.00 O ATOM 1194 OE2 GLU A 60 88.062 11.475 8.396 1.00 0.00 O ATOM 0 H GLU A 60 85.051 7.798 5.419 1.00 0.00 H new ATOM 0 HA GLU A 60 87.248 9.059 3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.770 10.259 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.344 9.212 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.679 10.036 6.455 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.032 11.149 5.266 1.00 0.00 H new ATOM 1201 N ILE A 61 89.243 7.892 4.958 1.00 0.00 N ATOM 1202 CA ILE A 61 90.363 7.036 5.308 1.00 0.00 C ATOM 1203 C ILE A 61 91.499 7.861 5.895 1.00 0.00 C ATOM 1204 O ILE A 61 92.031 8.747 5.233 1.00 0.00 O ATOM 1205 CB ILE A 61 90.885 6.271 4.071 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.738 5.549 3.361 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.963 5.277 4.482 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.138 4.918 2.044 1.00 0.00 C ATOM 0 H ILE A 61 89.479 8.662 4.332 1.00 0.00 H new ATOM 0 HA ILE A 61 90.010 6.318 6.048 1.00 0.00 H new ATOM 0 HB ILE A 61 91.319 6.991 3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.345 4.775 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.929 6.258 3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.322 4.745 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.792 5.811 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.547 4.563 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.274 4.425 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.503 5.690 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 61 90.925 4.184 2.216 1.00 0.00 H new ATOM 1220 N VAL A 62 91.858 7.584 7.136 1.00 0.00 N ATOM 1221 CA VAL A 62 92.985 8.254 7.765 1.00 0.00 C ATOM 1222 C VAL A 62 94.141 7.282 7.948 1.00 0.00 C ATOM 1223 O VAL A 62 93.967 6.180 8.470 1.00 0.00 O ATOM 1224 CB VAL A 62 92.607 8.892 9.121 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.728 10.112 8.906 1.00 0.00 C ATOM 1226 CG2 VAL A 62 91.912 7.888 10.032 1.00 0.00 C ATOM 0 H VAL A 62 91.387 6.901 7.729 1.00 0.00 H new ATOM 0 HA VAL A 62 93.291 9.062 7.100 1.00 0.00 H new ATOM 0 HB VAL A 62 93.528 9.205 9.612 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.471 10.550 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.265 10.846 8.306 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.816 9.817 8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 62 91.660 8.368 10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.001 7.531 9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.578 7.045 10.220 1.00 0.00 H new ATOM 1236 N ILE A 63 95.315 7.669 7.475 1.00 0.00 N ATOM 1237 CA ILE A 63 96.486 6.808 7.556 1.00 0.00 C ATOM 1238 C ILE A 63 97.713 7.596 8.004 1.00 0.00 C ATOM 1239 O ILE A 63 98.100 8.570 7.359 1.00 0.00 O ATOM 1240 CB ILE A 63 96.797 6.142 6.194 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.555 5.453 5.621 1.00 0.00 C ATOM 1242 CG2 ILE A 63 97.925 5.137 6.350 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.760 4.877 4.235 1.00 0.00 C ATOM 0 H ILE A 63 95.483 8.572 7.032 1.00 0.00 H new ATOM 0 HA ILE A 63 96.257 6.034 8.289 1.00 0.00 H new ATOM 0 HB ILE A 63 97.105 6.922 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.251 4.653 6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.735 6.171 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.136 4.674 5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 63 98.819 5.646 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.631 4.368 7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.837 4.406 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.033 5.676 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.557 4.134 4.264 1.00 0.00 H new ATOM 1255 N ALA A 64 98.309 7.184 9.117 1.00 0.00 N ATOM 1256 CA ALA A 64 99.549 7.786 9.592 1.00 0.00 C ATOM 1257 C ALA A 64 100.680 7.537 8.591 1.00 0.00 C ATOM 1258 O ALA A 64 100.727 6.478 7.961 1.00 0.00 O ATOM 1259 CB ALA A 64 99.914 7.231 10.962 1.00 0.00 C ATOM 0 H ALA A 64 97.952 6.434 9.709 1.00 0.00 H new ATOM 0 HA ALA A 64 99.402 8.862 9.683 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.842 7.689 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.116 7.455 11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.046 6.151 10.894 1.00 0.00 H new ATOM 1265 N PRO A 65 101.608 8.508 8.451 1.00 0.00 N ATOM 1266 CA PRO A 65 102.694 8.468 7.451 1.00 0.00 C ATOM 1267 C PRO A 65 103.433 7.132 7.402 1.00 0.00 C ATOM 1268 O PRO A 65 103.827 6.672 6.327 1.00 0.00 O ATOM 1269 CB PRO A 65 103.634 9.577 7.920 1.00 0.00 C ATOM 1270 CG PRO A 65 102.742 10.554 8.598 1.00 0.00 C ATOM 1271 CD PRO A 65 101.670 9.738 9.266 1.00 0.00 C ATOM 0 HA PRO A 65 102.308 8.597 6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.393 9.193 8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 65 104.160 10.034 7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.294 11.146 9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.311 11.253 7.881 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.922 9.519 10.304 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.714 10.262 9.274 1.00 0.00 H new ATOM 1279 N ASP A 66 103.608 6.520 8.568 1.00 0.00 N ATOM 1280 CA ASP A 66 104.254 5.212 8.682 1.00 0.00 C ATOM 1281 C ASP A 66 103.618 4.201 7.736 1.00 0.00 C ATOM 1282 O ASP A 66 104.304 3.523 6.974 1.00 0.00 O ATOM 1283 CB ASP A 66 104.134 4.684 10.114 1.00 0.00 C ATOM 1284 CG ASP A 66 104.898 5.512 11.126 1.00 0.00 C ATOM 1285 OD1 ASP A 66 104.622 6.727 11.248 1.00 0.00 O ATOM 1286 OD2 ASP A 66 105.757 4.947 11.829 1.00 0.00 O ATOM 0 H ASP A 66 103.308 6.913 9.460 1.00 0.00 H new ATOM 0 HA ASP A 66 105.304 5.340 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 66 103.082 4.658 10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 66 104.498 3.657 10.147 1.00 0.00 H new ATOM 1291 N TYR A 67 102.297 4.133 7.774 1.00 0.00 N ATOM 1292 CA TYR A 67 101.559 3.128 7.027 1.00 0.00 C ATOM 1293 C TYR A 67 101.314 3.600 5.596 1.00 0.00 C ATOM 1294 O TYR A 67 101.148 2.788 4.685 1.00 0.00 O ATOM 1295 CB TYR A 67 100.232 2.830 7.733 1.00 0.00 C ATOM 1296 CG TYR A 67 100.374 2.672 9.234 1.00 0.00 C ATOM 1297 CD1 TYR A 67 100.994 1.557 9.783 1.00 0.00 C ATOM 1298 CD2 TYR A 67 99.895 3.647 10.101 1.00 0.00 C ATOM 1299 CE1 TYR A 67 101.134 1.418 11.151 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.031 3.515 11.470 1.00 0.00 C ATOM 1301 CZ TYR A 67 100.650 2.399 11.991 1.00 0.00 C ATOM 1302 OH TYR A 67 100.792 2.270 13.355 1.00 0.00 O ATOM 0 H TYR A 67 101.711 4.766 8.318 1.00 0.00 H new ATOM 0 HA TYR A 67 102.148 2.212 6.985 1.00 0.00 H new ATOM 0 HB2 TYR A 67 99.528 3.636 7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 67 99.804 1.918 7.317 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.373 0.785 9.130 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.408 4.523 9.698 1.00 0.00 H new ATOM 0 HE1 TYR A 67 101.620 0.545 11.560 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.654 4.283 12.129 1.00 0.00 H new ATOM 0 HH TYR A 67 100.397 3.049 13.800 1.00 0.00 H new ATOM 1312 N VAL A 68 101.317 4.919 5.410 1.00 0.00 N ATOM 1313 CA VAL A 68 101.127 5.527 4.092 1.00 0.00 C ATOM 1314 C VAL A 68 102.154 5.010 3.091 1.00 0.00 C ATOM 1315 O VAL A 68 101.855 4.842 1.910 1.00 0.00 O ATOM 1316 CB VAL A 68 101.223 7.068 4.172 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.201 7.702 2.789 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.095 7.624 5.018 1.00 0.00 C ATOM 0 H VAL A 68 101.450 5.594 6.163 1.00 0.00 H new ATOM 0 HA VAL A 68 100.130 5.248 3.752 1.00 0.00 H new ATOM 0 HB VAL A 68 102.176 7.316 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.270 8.786 2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.046 7.334 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.271 7.441 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.176 8.710 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.138 7.351 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.158 7.212 6.025 1.00 0.00 H new ATOM 1328 N SER A 69 103.358 4.742 3.584 1.00 0.00 N ATOM 1329 CA SER A 69 104.444 4.250 2.748 1.00 0.00 C ATOM 1330 C SER A 69 104.033 3.008 1.956 1.00 0.00 C ATOM 1331 O SER A 69 104.358 2.884 0.778 1.00 0.00 O ATOM 1332 CB SER A 69 105.667 3.940 3.613 1.00 0.00 C ATOM 1333 OG SER A 69 106.130 5.107 4.274 1.00 0.00 O ATOM 0 H SER A 69 103.606 4.859 4.566 1.00 0.00 H new ATOM 0 HA SER A 69 104.692 5.032 2.030 1.00 0.00 H new ATOM 0 HB2 SER A 69 105.413 3.177 4.349 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.463 3.530 2.991 1.00 0.00 H new ATOM 0 HG SER A 69 106.911 4.884 4.822 1.00 0.00 H new ATOM 1339 N LEU A 70 103.296 2.107 2.599 1.00 0.00 N ATOM 1340 CA LEU A 70 102.903 0.848 1.975 1.00 0.00 C ATOM 1341 C LEU A 70 101.503 0.935 1.372 1.00 0.00 C ATOM 1342 O LEU A 70 101.218 0.320 0.343 1.00 0.00 O ATOM 1343 CB LEU A 70 102.951 -0.282 3.005 1.00 0.00 C ATOM 1344 CG LEU A 70 104.341 -0.599 3.556 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.252 -1.633 4.667 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.249 -1.093 2.442 1.00 0.00 C ATOM 0 H LEU A 70 102.958 2.226 3.554 1.00 0.00 H new ATOM 0 HA LEU A 70 103.607 0.641 1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.298 -0.021 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 70 102.543 -1.185 2.550 1.00 0.00 H new ATOM 0 HG LEU A 70 104.765 0.315 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.251 -1.846 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 70 103.631 -1.246 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 70 103.809 -2.549 4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.236 -1.315 2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 70 104.826 -1.996 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.337 -0.323 1.676 1.00 0.00 H new ATOM 1358 N LEU A 71 100.642 1.716 2.004 1.00 0.00 N ATOM 1359 CA LEU A 71 99.236 1.797 1.617 1.00 0.00 C ATOM 1360 C LEU A 71 99.004 2.796 0.489 1.00 0.00 C ATOM 1361 O LEU A 71 98.065 3.589 0.534 1.00 0.00 O ATOM 1362 CB LEU A 71 98.396 2.175 2.837 1.00 0.00 C ATOM 1363 CG LEU A 71 98.280 1.084 3.900 1.00 0.00 C ATOM 1364 CD1 LEU A 71 97.840 1.675 5.225 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.298 0.012 3.451 1.00 0.00 C ATOM 0 H LEU A 71 100.892 2.309 2.795 1.00 0.00 H new ATOM 0 HA LEU A 71 98.934 0.818 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 71 98.827 3.065 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.394 2.443 2.501 1.00 0.00 H new ATOM 0 HG LEU A 71 99.261 0.628 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 71 97.763 0.882 5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.571 2.413 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 71 96.869 2.155 5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 71 97.225 -0.759 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 71 96.317 0.460 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 71 97.647 -0.434 2.520 1.00 0.00 H new ATOM 1377 N ASP A 72 99.845 2.740 -0.533 1.00 0.00 N ATOM 1378 CA ASP A 72 99.689 3.603 -1.697 1.00 0.00 C ATOM 1379 C ASP A 72 99.872 2.795 -2.973 1.00 0.00 C ATOM 1380 O ASP A 72 100.615 1.808 -2.981 1.00 0.00 O ATOM 1381 CB ASP A 72 100.686 4.765 -1.655 1.00 0.00 C ATOM 1382 CG ASP A 72 100.501 5.726 -2.816 1.00 0.00 C ATOM 1383 OD1 ASP A 72 99.342 5.963 -3.217 1.00 0.00 O ATOM 1384 OD2 ASP A 72 101.514 6.240 -3.333 1.00 0.00 O ATOM 0 H ASP A 72 100.643 2.106 -0.581 1.00 0.00 H new ATOM 0 HA ASP A 72 98.682 4.021 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 72 100.570 5.306 -0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 72 101.702 4.370 -1.672 1.00 0.00 H new ATOM 1389 N GLN A 73 99.174 3.211 -4.036 1.00 0.00 N ATOM 1390 CA GLN A 73 99.174 2.518 -5.332 1.00 0.00 C ATOM 1391 C GLN A 73 98.332 1.237 -5.279 1.00 0.00 C ATOM 1392 O GLN A 73 97.926 0.700 -6.310 1.00 0.00 O ATOM 1393 CB GLN A 73 100.610 2.213 -5.800 1.00 0.00 C ATOM 1394 CG GLN A 73 100.701 1.494 -7.142 1.00 0.00 C ATOM 1395 CD GLN A 73 100.131 2.302 -8.291 1.00 0.00 C ATOM 1396 OE1 GLN A 73 100.840 3.071 -8.939 1.00 0.00 O ATOM 1397 NE2 GLN A 73 98.846 2.128 -8.560 1.00 0.00 N ATOM 0 H GLN A 73 98.588 4.045 -4.022 1.00 0.00 H new ATOM 0 HA GLN A 73 98.718 3.187 -6.062 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.163 3.150 -5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 73 101.104 1.604 -5.042 1.00 0.00 H new ATOM 0 HG2 GLN A 73 101.745 1.261 -7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 73 100.170 0.544 -7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 73 98.291 1.481 -8.000 1.00 0.00 H new ATOM 0 HE22 GLN A 73 98.412 2.641 -9.327 1.00 0.00 H new ATOM 1406 N THR A 74 98.053 0.769 -4.074 1.00 0.00 N ATOM 1407 CA THR A 74 97.292 -0.447 -3.887 1.00 0.00 C ATOM 1408 C THR A 74 95.802 -0.218 -4.119 1.00 0.00 C ATOM 1409 O THR A 74 95.265 0.852 -3.823 1.00 0.00 O ATOM 1410 CB THR A 74 97.520 -1.008 -2.472 1.00 0.00 C ATOM 1411 OG1 THR A 74 97.537 0.066 -1.523 1.00 0.00 O ATOM 1412 CG2 THR A 74 98.832 -1.775 -2.392 1.00 0.00 C ATOM 0 H THR A 74 98.346 1.219 -3.207 1.00 0.00 H new ATOM 0 HA THR A 74 97.642 -1.170 -4.624 1.00 0.00 H new ATOM 0 HB THR A 74 96.704 -1.693 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 74 97.681 -0.295 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 74 98.967 -2.160 -1.381 1.00 0.00 H new ATOM 0 HG22 THR A 74 98.811 -2.606 -3.097 1.00 0.00 H new ATOM 0 HG23 THR A 74 99.658 -1.109 -2.640 1.00 0.00 H new ATOM 1420 N THR A 75 95.144 -1.220 -4.678 1.00 0.00 N ATOM 1421 CA THR A 75 93.712 -1.161 -4.892 1.00 0.00 C ATOM 1422 C THR A 75 93.015 -2.196 -4.013 1.00 0.00 C ATOM 1423 O THR A 75 93.436 -3.351 -3.961 1.00 0.00 O ATOM 1424 CB THR A 75 93.363 -1.410 -6.371 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.097 -0.498 -7.197 1.00 0.00 O ATOM 1426 CG2 THR A 75 91.871 -1.237 -6.624 1.00 0.00 C ATOM 0 H THR A 75 95.583 -2.086 -4.992 1.00 0.00 H new ATOM 0 HA THR A 75 93.366 -0.163 -4.623 1.00 0.00 H new ATOM 0 HB THR A 75 93.634 -2.437 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.876 -0.658 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.657 -1.419 -7.677 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.314 -1.946 -6.012 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.573 -0.221 -6.364 1.00 0.00 H new ATOM 1434 N LEU A 76 91.972 -1.767 -3.323 1.00 0.00 N ATOM 1435 CA LEU A 76 91.260 -2.620 -2.385 1.00 0.00 C ATOM 1436 C LEU A 76 89.857 -2.912 -2.898 1.00 0.00 C ATOM 1437 O LEU A 76 89.070 -1.994 -3.155 1.00 0.00 O ATOM 1438 CB LEU A 76 91.204 -1.936 -1.008 1.00 0.00 C ATOM 1439 CG LEU A 76 90.701 -2.793 0.162 1.00 0.00 C ATOM 1440 CD1 LEU A 76 91.149 -2.186 1.479 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.182 -2.913 0.151 1.00 0.00 C ATOM 0 H LEU A 76 91.596 -0.822 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 76 91.789 -3.568 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 76 92.204 -1.578 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.563 -1.058 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 76 91.125 -3.791 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.788 -2.800 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 76 92.238 -2.143 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 76 90.743 -1.179 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.859 -3.526 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 76 88.738 -1.921 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.860 -3.378 -0.781 1.00 0.00 H new ATOM 1453 N ASP A 77 89.554 -4.190 -3.051 1.00 0.00 N ATOM 1454 CA ASP A 77 88.225 -4.635 -3.457 1.00 0.00 C ATOM 1455 C ASP A 77 87.919 -5.964 -2.782 1.00 0.00 C ATOM 1456 O ASP A 77 88.840 -6.709 -2.439 1.00 0.00 O ATOM 1457 CB ASP A 77 88.152 -4.773 -4.983 1.00 0.00 C ATOM 1458 CG ASP A 77 86.753 -5.072 -5.489 1.00 0.00 C ATOM 1459 OD1 ASP A 77 85.776 -4.582 -4.882 1.00 0.00 O ATOM 1460 OD2 ASP A 77 86.625 -5.788 -6.508 1.00 0.00 O ATOM 0 H ASP A 77 90.218 -4.949 -2.899 1.00 0.00 H new ATOM 0 HA ASP A 77 87.483 -3.897 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.508 -3.851 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.825 -5.569 -5.302 1.00 0.00 H new ATOM 1465 N TYR A 78 86.648 -6.264 -2.561 1.00 0.00 N ATOM 1466 CA TYR A 78 86.281 -7.517 -1.918 1.00 0.00 C ATOM 1467 C TYR A 78 85.801 -8.514 -2.965 1.00 0.00 C ATOM 1468 O TYR A 78 84.884 -8.231 -3.740 1.00 0.00 O ATOM 1469 CB TYR A 78 85.222 -7.306 -0.818 1.00 0.00 C ATOM 1470 CG TYR A 78 83.806 -7.074 -1.311 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.413 -5.845 -1.824 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.860 -8.090 -1.248 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.119 -5.637 -2.262 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.565 -7.890 -1.687 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.200 -6.661 -2.193 1.00 0.00 C ATOM 1476 OH TYR A 78 79.908 -6.456 -2.625 1.00 0.00 O ATOM 0 H TYR A 78 85.862 -5.665 -2.814 1.00 0.00 H new ATOM 0 HA TYR A 78 87.166 -7.922 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.222 -8.179 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.521 -6.453 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.130 -5.039 -1.882 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.142 -9.053 -0.849 1.00 0.00 H new ATOM 0 HE1 TYR A 78 81.829 -4.675 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.843 -8.692 -1.634 1.00 0.00 H new ATOM 0 HH TYR A 78 79.390 -7.279 -2.508 1.00 0.00 H new ATOM 1486 N VAL A 79 86.446 -9.668 -3.010 1.00 0.00 N ATOM 1487 CA VAL A 79 86.102 -10.689 -3.983 1.00 0.00 C ATOM 1488 C VAL A 79 85.967 -12.050 -3.321 1.00 0.00 C ATOM 1489 O VAL A 79 86.660 -12.360 -2.346 1.00 0.00 O ATOM 1490 CB VAL A 79 87.147 -10.785 -5.120 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.244 -9.473 -5.883 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.509 -11.184 -4.571 1.00 0.00 C ATOM 0 H VAL A 79 87.211 -9.920 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 79 85.145 -10.393 -4.414 1.00 0.00 H new ATOM 0 HB VAL A 79 86.816 -11.558 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 79 87.985 -9.567 -6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.274 -9.233 -6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.542 -8.677 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.227 -11.245 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.843 -10.438 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.434 -12.155 -4.081 1.00 0.00 H new ATOM 1502 N GLU A 80 85.063 -12.856 -3.838 1.00 0.00 N ATOM 1503 CA GLU A 80 84.901 -14.213 -3.363 1.00 0.00 C ATOM 1504 C GLU A 80 85.870 -15.136 -4.095 1.00 0.00 C ATOM 1505 O GLU A 80 85.614 -15.559 -5.223 1.00 0.00 O ATOM 1506 CB GLU A 80 83.460 -14.675 -3.560 1.00 0.00 C ATOM 1507 CG GLU A 80 83.198 -16.076 -3.048 1.00 0.00 C ATOM 1508 CD GLU A 80 81.754 -16.482 -3.203 1.00 0.00 C ATOM 1509 OE1 GLU A 80 81.292 -16.628 -4.355 1.00 0.00 O ATOM 1510 OE2 GLU A 80 81.073 -16.670 -2.177 1.00 0.00 O ATOM 0 H GLU A 80 84.427 -12.593 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 80 85.125 -14.247 -2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.792 -13.980 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.216 -14.633 -4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.831 -16.781 -3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 80 83.479 -16.134 -1.996 1.00 0.00 H new ATOM 1517 N LEU A 81 87.006 -15.403 -3.463 1.00 0.00 N ATOM 1518 CA LEU A 81 88.013 -16.288 -4.037 1.00 0.00 C ATOM 1519 C LEU A 81 87.544 -17.734 -3.968 1.00 0.00 C ATOM 1520 O LEU A 81 87.842 -18.541 -4.846 1.00 0.00 O ATOM 1521 CB LEU A 81 89.347 -16.133 -3.300 1.00 0.00 C ATOM 1522 CG LEU A 81 89.997 -14.752 -3.413 1.00 0.00 C ATOM 1523 CD1 LEU A 81 91.261 -14.690 -2.573 1.00 0.00 C ATOM 1524 CD2 LEU A 81 90.308 -14.424 -4.867 1.00 0.00 C ATOM 0 H LEU A 81 87.254 -15.019 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 81 88.158 -16.013 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 81 89.189 -16.357 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.044 -16.878 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 81 89.294 -14.009 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.711 -13.701 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 81 91.014 -14.881 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.967 -15.443 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.770 -13.438 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.993 -15.170 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.385 -14.428 -5.446 1.00 0.00 H new ATOM 1536 N GLU A 82 86.808 -18.040 -2.912 1.00 0.00 N ATOM 1537 CA GLU A 82 86.246 -19.363 -2.709 1.00 0.00 C ATOM 1538 C GLU A 82 84.818 -19.218 -2.207 1.00 0.00 C ATOM 1539 O GLU A 82 84.570 -18.438 -1.288 1.00 0.00 O ATOM 1540 CB GLU A 82 87.089 -20.153 -1.704 1.00 0.00 C ATOM 1541 CG GLU A 82 88.513 -20.405 -2.173 1.00 0.00 C ATOM 1542 CD GLU A 82 89.366 -21.072 -1.121 1.00 0.00 C ATOM 1543 OE1 GLU A 82 89.274 -22.307 -0.970 1.00 0.00 O ATOM 1544 OE2 GLU A 82 90.142 -20.366 -0.443 1.00 0.00 O ATOM 0 H GLU A 82 86.584 -17.376 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 82 86.248 -19.910 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 82 87.117 -19.610 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 82 86.605 -21.110 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 82 88.491 -21.029 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.970 -19.457 -2.458 1.00 0.00 H new ATOM 1551 N PRO A 83 83.867 -19.948 -2.816 1.00 0.00 N ATOM 1552 CA PRO A 83 82.434 -19.836 -2.502 1.00 0.00 C ATOM 1553 C PRO A 83 82.140 -19.845 -1.001 1.00 0.00 C ATOM 1554 O PRO A 83 82.308 -20.863 -0.326 1.00 0.00 O ATOM 1555 CB PRO A 83 81.831 -21.069 -3.171 1.00 0.00 C ATOM 1556 CG PRO A 83 82.741 -21.362 -4.312 1.00 0.00 C ATOM 1557 CD PRO A 83 84.119 -20.950 -3.867 1.00 0.00 C ATOM 0 HA PRO A 83 82.022 -18.890 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 83 81.780 -21.910 -2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 83 80.815 -20.876 -3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 83 82.715 -22.421 -4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 83 82.439 -20.811 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 83 84.685 -21.798 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.696 -20.529 -4.691 1.00 0.00 H new ATOM 1565 N GLY A 84 81.708 -18.700 -0.491 1.00 0.00 N ATOM 1566 CA GLY A 84 81.411 -18.574 0.920 1.00 0.00 C ATOM 1567 C GLY A 84 82.346 -17.612 1.621 1.00 0.00 C ATOM 1568 O GLY A 84 81.986 -17.005 2.629 1.00 0.00 O ATOM 0 H GLY A 84 81.557 -17.850 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 84 80.383 -18.233 1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 84 81.481 -19.554 1.392 1.00 0.00 H new ATOM 1572 N GLN A 85 83.548 -17.454 1.082 1.00 0.00 N ATOM 1573 CA GLN A 85 84.553 -16.608 1.708 1.00 0.00 C ATOM 1574 C GLN A 85 84.861 -15.384 0.854 1.00 0.00 C ATOM 1575 O GLN A 85 85.491 -15.490 -0.202 1.00 0.00 O ATOM 1576 CB GLN A 85 85.847 -17.384 1.947 1.00 0.00 C ATOM 1577 CG GLN A 85 85.699 -18.592 2.853 1.00 0.00 C ATOM 1578 CD GLN A 85 87.039 -19.217 3.183 1.00 0.00 C ATOM 1579 OE1 GLN A 85 87.987 -19.132 2.398 1.00 0.00 O ATOM 1580 NE2 GLN A 85 87.133 -19.845 4.342 1.00 0.00 N ATOM 0 H GLN A 85 83.849 -17.900 0.215 1.00 0.00 H new ATOM 0 HA GLN A 85 84.142 -16.280 2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 85 86.241 -17.713 0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 85 86.585 -16.709 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 85 85.200 -18.295 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 85 85.062 -19.333 2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.325 -19.893 4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.013 -20.282 4.615 1.00 0.00 H new ATOM 1589 N PHE A 86 84.427 -14.226 1.321 1.00 0.00 N ATOM 1590 CA PHE A 86 84.747 -12.971 0.661 1.00 0.00 C ATOM 1591 C PHE A 86 86.058 -12.423 1.209 1.00 0.00 C ATOM 1592 O PHE A 86 86.184 -12.162 2.404 1.00 0.00 O ATOM 1593 CB PHE A 86 83.620 -11.953 0.856 1.00 0.00 C ATOM 1594 CG PHE A 86 82.319 -12.369 0.228 1.00 0.00 C ATOM 1595 CD1 PHE A 86 82.065 -12.103 -1.107 1.00 0.00 C ATOM 1596 CD2 PHE A 86 81.355 -13.028 0.972 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.872 -12.485 -1.690 1.00 0.00 C ATOM 1598 CE2 PHE A 86 80.159 -13.414 0.395 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.918 -13.141 -0.937 1.00 0.00 C ATOM 0 H PHE A 86 83.851 -14.128 2.157 1.00 0.00 H new ATOM 0 HA PHE A 86 84.855 -13.154 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 86 83.465 -11.795 1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.928 -10.997 0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.808 -11.591 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 86 81.539 -13.243 2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.686 -12.271 -2.732 1.00 0.00 H new ATOM 0 HE2 PHE A 86 79.415 -13.928 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.984 -13.440 -1.390 1.00 0.00 H new ATOM 1609 N HIS A 87 87.040 -12.274 0.337 1.00 0.00 N ATOM 1610 CA HIS A 87 88.357 -11.811 0.746 1.00 0.00 C ATOM 1611 C HIS A 87 88.627 -10.426 0.185 1.00 0.00 C ATOM 1612 O HIS A 87 88.398 -10.175 -0.999 1.00 0.00 O ATOM 1613 CB HIS A 87 89.454 -12.775 0.268 1.00 0.00 C ATOM 1614 CG HIS A 87 89.440 -14.119 0.937 1.00 0.00 C ATOM 1615 ND1 HIS A 87 90.460 -14.565 1.749 1.00 0.00 N ATOM 1616 CD2 HIS A 87 88.534 -15.123 0.893 1.00 0.00 C ATOM 1617 CE1 HIS A 87 90.182 -15.782 2.174 1.00 0.00 C ATOM 1618 NE2 HIS A 87 89.021 -16.148 1.670 1.00 0.00 N ATOM 0 H HIS A 87 86.951 -12.467 -0.661 1.00 0.00 H new ATOM 0 HA HIS A 87 88.372 -11.773 1.835 1.00 0.00 H new ATOM 0 HB2 HIS A 87 89.350 -12.918 -0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 87 90.426 -12.311 0.435 1.00 0.00 H new ATOM 0 HD2 HIS A 87 87.601 -15.120 0.349 1.00 0.00 H new ATOM 0 HE1 HIS A 87 90.802 -16.379 2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 87 88.560 -17.044 1.830 1.00 0.00 H new ATOM 1627 N PHE A 88 89.092 -9.526 1.037 1.00 0.00 N ATOM 1628 CA PHE A 88 89.539 -8.220 0.587 1.00 0.00 C ATOM 1629 C PHE A 88 90.912 -8.361 -0.048 1.00 0.00 C ATOM 1630 O PHE A 88 91.853 -8.826 0.595 1.00 0.00 O ATOM 1631 CB PHE A 88 89.602 -7.223 1.748 1.00 0.00 C ATOM 1632 CG PHE A 88 88.260 -6.868 2.325 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.508 -5.843 1.774 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.755 -7.553 3.419 1.00 0.00 C ATOM 1635 CE1 PHE A 88 86.276 -5.509 2.303 1.00 0.00 C ATOM 1636 CE2 PHE A 88 86.524 -7.223 3.951 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.783 -6.198 3.392 1.00 0.00 C ATOM 0 H PHE A 88 89.169 -9.677 2.043 1.00 0.00 H new ATOM 0 HA PHE A 88 88.825 -7.837 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 88 90.226 -7.640 2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 88 90.090 -6.311 1.404 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.889 -5.299 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 88 88.330 -8.353 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.699 -4.709 1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 88 86.140 -7.765 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.821 -5.937 3.807 1.00 0.00 H new ATOM 1647 N ILE A 89 91.026 -7.975 -1.303 1.00 0.00 N ATOM 1648 CA ILE A 89 92.278 -8.132 -2.020 1.00 0.00 C ATOM 1649 C ILE A 89 92.946 -6.791 -2.240 1.00 0.00 C ATOM 1650 O ILE A 89 92.282 -5.776 -2.467 1.00 0.00 O ATOM 1651 CB ILE A 89 92.095 -8.837 -3.382 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.103 -8.073 -4.263 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.640 -10.271 -3.169 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.998 -8.609 -5.677 1.00 0.00 C ATOM 0 H ILE A 89 90.273 -7.553 -1.846 1.00 0.00 H new ATOM 0 HA ILE A 89 92.911 -8.762 -1.395 1.00 0.00 H new ATOM 0 HB ILE A 89 93.055 -8.851 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.118 -8.107 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.400 -7.025 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.514 -10.760 -4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.389 -10.807 -2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.691 -10.276 -2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.276 -8.016 -6.238 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.972 -8.549 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.670 -9.648 -5.649 1.00 0.00 H new ATOM 1666 N PHE A 90 94.259 -6.796 -2.146 1.00 0.00 N ATOM 1667 CA PHE A 90 95.048 -5.606 -2.372 1.00 0.00 C ATOM 1668 C PHE A 90 95.890 -5.794 -3.621 1.00 0.00 C ATOM 1669 O PHE A 90 96.801 -6.621 -3.637 1.00 0.00 O ATOM 1670 CB PHE A 90 95.960 -5.326 -1.172 1.00 0.00 C ATOM 1671 CG PHE A 90 95.229 -5.188 0.135 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.988 -6.299 0.930 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.782 -3.951 0.570 1.00 0.00 C ATOM 1674 CE1 PHE A 90 94.317 -6.179 2.131 1.00 0.00 C ATOM 1675 CE2 PHE A 90 94.111 -3.825 1.770 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.878 -4.939 2.551 1.00 0.00 C ATOM 0 H PHE A 90 94.807 -7.623 -1.911 1.00 0.00 H new ATOM 0 HA PHE A 90 94.377 -4.757 -2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.687 -6.133 -1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.521 -4.411 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 90 95.330 -7.271 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.960 -3.075 -0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 90 94.136 -7.052 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.768 -2.855 2.098 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.353 -4.841 3.490 1.00 0.00 H new ATOM 1686 N LEU A 91 95.564 -5.060 -4.673 1.00 0.00 N ATOM 1687 CA LEU A 91 96.361 -5.096 -5.890 1.00 0.00 C ATOM 1688 C LEU A 91 97.702 -4.432 -5.636 1.00 0.00 C ATOM 1689 O LEU A 91 97.868 -3.222 -5.819 1.00 0.00 O ATOM 1690 CB LEU A 91 95.622 -4.424 -7.047 1.00 0.00 C ATOM 1691 CG LEU A 91 94.361 -5.157 -7.498 1.00 0.00 C ATOM 1692 CD1 LEU A 91 93.604 -4.345 -8.537 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.710 -6.532 -8.048 1.00 0.00 C ATOM 0 H LEU A 91 94.758 -4.436 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 91 96.531 -6.134 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 91 95.352 -3.410 -6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 91 96.301 -4.338 -7.895 1.00 0.00 H new ATOM 0 HG LEU A 91 93.715 -5.285 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.710 -4.888 -8.842 1.00 0.00 H new ATOM 0 HD12 LEU A 91 93.317 -3.384 -8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 91 94.242 -4.179 -9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.799 -7.039 -8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.380 -6.423 -8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.202 -7.120 -7.273 1.00 0.00 H new ATOM 1705 N ASN A 92 98.636 -5.235 -5.167 1.00 0.00 N ATOM 1706 CA ASN A 92 99.929 -4.750 -4.722 1.00 0.00 C ATOM 1707 C ASN A 92 101.046 -5.326 -5.580 1.00 0.00 C ATOM 1708 O ASN A 92 101.268 -6.535 -5.592 1.00 0.00 O ATOM 1709 CB ASN A 92 100.138 -5.131 -3.254 1.00 0.00 C ATOM 1710 CG ASN A 92 101.407 -4.548 -2.669 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.868 -3.485 -3.083 1.00 0.00 O ATOM 1712 ND2 ASN A 92 101.973 -5.233 -1.688 1.00 0.00 N ATOM 0 H ASN A 92 98.520 -6.245 -5.083 1.00 0.00 H new ATOM 0 HA ASN A 92 99.952 -3.665 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.284 -4.789 -2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 92 100.169 -6.217 -3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 92 102.823 -4.883 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.559 -6.111 -1.374 1.00 0.00 H new