USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 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 11 GLN : amide:sc= 0.422 X(o=1.2,f=0.78) USER MOD Set 1.2: A 78 TYR OH : rot -117:sc= 0.773 USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 ASN : amide:sc= -0.161 K(o=-0.16,f=-3.7!) USER MOD Single : A 0 MET CE :methyl 139:sc= -0.0791 (180deg=-2.43!) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.284 (180deg=-1.11) USER MOD Single : A 3 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0607) USER MOD Single : A 5 THR OG1 : rot 176:sc= 1.59 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 K(o=0,f=-0.69) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0715 USER MOD Single : A 24 MET CE :methyl -178:sc= -0.766 (180deg=-0.778) USER MOD Single : A 25 CYS SG : rot 14:sc= 0.272 USER MOD Single : A 33 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -165:sc= -0.0998 (180deg=-0.436) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0 USER MOD Single : A 55 THR OG1 : rot -84:sc= 1.25 USER MOD Single : A 56 SER OG : rot 140:sc= 0.227 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 73 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 74 THR OG1 : rot 81:sc= 0.391 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.132 X(o=0.13,f=-0.13) USER MOD Single : A 87 HIS : no HD1:sc= 1.1 K(o=1.1,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 99.640 9.418 -2.797 1.00 0.00 N ATOM 296 CA MET A 0 98.944 8.291 -2.184 1.00 0.00 C ATOM 297 C MET A 0 97.507 8.190 -2.681 1.00 0.00 C ATOM 298 O MET A 0 96.717 9.118 -2.525 1.00 0.00 O ATOM 299 CB MET A 0 98.959 8.417 -0.658 1.00 0.00 C ATOM 300 CG MET A 0 98.116 7.368 0.054 1.00 0.00 C ATOM 301 SD MET A 0 98.568 5.680 -0.396 1.00 0.00 S ATOM 302 CE MET A 0 97.467 4.749 0.667 1.00 0.00 C ATOM 0 H1 MET A 0 100.615 9.460 -2.439 1.00 0.00 H new ATOM 0 H2 MET A 0 99.655 9.296 -3.830 1.00 0.00 H new ATOM 0 H3 MET A 0 99.146 10.302 -2.560 1.00 0.00 H new ATOM 0 HA MET A 0 99.471 7.381 -2.473 1.00 0.00 H new ATOM 0 HB2 MET A 0 99.988 8.342 -0.307 1.00 0.00 H new ATOM 0 HB3 MET A 0 98.599 9.408 -0.381 1.00 0.00 H new ATOM 0 HG2 MET A 0 98.224 7.493 1.131 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.065 7.532 -0.182 1.00 0.00 H new ATOM 0 HE1 MET A 0 97.061 3.901 0.116 1.00 0.00 H new ATOM 0 HE2 MET A 0 98.019 4.388 1.535 1.00 0.00 H new ATOM 0 HE3 MET A 0 96.651 5.391 0.997 1.00 0.00 H new ATOM 312 N MET A 1 97.179 7.057 -3.280 1.00 0.00 N ATOM 313 CA MET A 1 95.832 6.812 -3.767 1.00 0.00 C ATOM 314 C MET A 1 95.316 5.471 -3.269 1.00 0.00 C ATOM 315 O MET A 1 95.764 4.418 -3.720 1.00 0.00 O ATOM 316 CB MET A 1 95.787 6.841 -5.298 1.00 0.00 C ATOM 317 CG MET A 1 95.948 8.227 -5.901 1.00 0.00 C ATOM 318 SD MET A 1 95.832 8.213 -7.703 1.00 0.00 S ATOM 319 CE MET A 1 94.231 7.443 -7.937 1.00 0.00 C ATOM 0 H MET A 1 97.831 6.289 -3.441 1.00 0.00 H new ATOM 0 HA MET A 1 95.193 7.607 -3.382 1.00 0.00 H new ATOM 0 HB2 MET A 1 96.575 6.195 -5.686 1.00 0.00 H new ATOM 0 HB3 MET A 1 94.838 6.421 -5.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 95.182 8.888 -5.496 1.00 0.00 H new ATOM 0 HG3 MET A 1 96.913 8.639 -5.605 1.00 0.00 H new ATOM 0 HE1 MET A 1 93.841 7.705 -8.921 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.334 6.360 -7.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 93.542 7.795 -7.169 1.00 0.00 H new ATOM 329 N PHE A 2 94.395 5.509 -2.324 1.00 0.00 N ATOM 330 CA PHE A 2 93.733 4.298 -1.871 1.00 0.00 C ATOM 331 C PHE A 2 92.298 4.309 -2.375 1.00 0.00 C ATOM 332 O PHE A 2 91.456 5.050 -1.867 1.00 0.00 O ATOM 333 CB PHE A 2 93.771 4.187 -0.344 1.00 0.00 C ATOM 334 CG PHE A 2 93.393 2.823 0.168 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.334 1.809 0.231 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.100 2.557 0.587 1.00 0.00 C ATOM 337 CE1 PHE A 2 93.993 0.554 0.700 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.752 1.303 1.055 1.00 0.00 C ATOM 339 CZ PHE A 2 92.700 0.301 1.112 1.00 0.00 C ATOM 0 H PHE A 2 94.088 6.362 -1.856 1.00 0.00 H new ATOM 0 HA PHE A 2 94.256 3.429 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 2 94.774 4.433 0.005 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.094 4.927 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.347 2.001 -0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.355 3.338 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.737 -0.227 0.744 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.739 1.108 1.376 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.431 -0.679 1.478 1.00 0.00 H new ATOM 349 N LYS A 3 92.031 3.509 -3.391 1.00 0.00 N ATOM 350 CA LYS A 3 90.742 3.540 -4.056 1.00 0.00 C ATOM 351 C LYS A 3 89.974 2.258 -3.783 1.00 0.00 C ATOM 352 O LYS A 3 90.506 1.163 -3.946 1.00 0.00 O ATOM 353 CB LYS A 3 90.934 3.723 -5.563 1.00 0.00 C ATOM 354 CG LYS A 3 89.710 4.271 -6.276 1.00 0.00 C ATOM 355 CD LYS A 3 89.906 4.293 -7.783 1.00 0.00 C ATOM 356 CE LYS A 3 88.873 5.172 -8.474 1.00 0.00 C ATOM 357 NZ LYS A 3 87.479 4.817 -8.092 1.00 0.00 N ATOM 0 H LYS A 3 92.689 2.830 -3.773 1.00 0.00 H new ATOM 0 HA LYS A 3 90.169 4.381 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.774 4.397 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 3 91.201 2.763 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 3 88.841 3.661 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 3 89.502 5.280 -5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 3 90.907 4.658 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 3 89.839 3.277 -8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 3 89.061 6.216 -8.222 1.00 0.00 H new ATOM 0 HE3 LYS A 3 88.986 5.080 -9.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 86.811 5.309 -8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 87.346 3.789 -8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 87.305 5.105 -7.108 1.00 0.00 H new ATOM 371 N LEU A 4 88.731 2.398 -3.358 1.00 0.00 N ATOM 372 CA LEU A 4 87.881 1.245 -3.108 1.00 0.00 C ATOM 373 C LEU A 4 86.869 1.110 -4.233 1.00 0.00 C ATOM 374 O LEU A 4 86.437 2.115 -4.802 1.00 0.00 O ATOM 375 CB LEU A 4 87.138 1.372 -1.767 1.00 0.00 C ATOM 376 CG LEU A 4 88.010 1.422 -0.507 1.00 0.00 C ATOM 377 CD1 LEU A 4 88.649 2.792 -0.332 1.00 0.00 C ATOM 378 CD2 LEU A 4 87.185 1.061 0.719 1.00 0.00 C ATOM 0 H LEU A 4 88.287 3.298 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 4 88.516 0.360 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 4 86.530 2.276 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 4 86.453 0.530 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 4 88.811 0.692 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 4 89.261 2.796 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.275 3.015 -1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.869 3.549 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 4 87.816 1.100 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.363 1.769 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.783 0.054 0.604 1.00 0.00 H new ATOM 390 N THR A 5 86.505 -0.117 -4.565 1.00 0.00 N ATOM 391 CA THR A 5 85.468 -0.349 -5.555 1.00 0.00 C ATOM 392 C THR A 5 84.109 0.040 -4.982 1.00 0.00 C ATOM 393 O THR A 5 83.938 0.081 -3.760 1.00 0.00 O ATOM 394 CB THR A 5 85.437 -1.826 -6.000 1.00 0.00 C ATOM 395 OG1 THR A 5 85.293 -2.684 -4.857 1.00 0.00 O ATOM 396 CG2 THR A 5 86.705 -2.186 -6.761 1.00 0.00 C ATOM 0 H THR A 5 86.910 -0.964 -4.166 1.00 0.00 H new ATOM 0 HA THR A 5 85.691 0.266 -6.427 1.00 0.00 H new ATOM 0 HB THR A 5 84.583 -1.966 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.210 -3.614 -5.155 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.662 -3.232 -7.065 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.791 -1.554 -7.645 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.572 -2.030 -6.118 1.00 0.00 H new ATOM 404 N PRO A 6 83.122 0.339 -5.847 1.00 0.00 N ATOM 405 CA PRO A 6 81.762 0.676 -5.407 1.00 0.00 C ATOM 406 C PRO A 6 81.147 -0.430 -4.549 1.00 0.00 C ATOM 407 O PRO A 6 80.206 -0.197 -3.791 1.00 0.00 O ATOM 408 CB PRO A 6 80.986 0.839 -6.717 1.00 0.00 C ATOM 409 CG PRO A 6 82.024 1.143 -7.740 1.00 0.00 C ATOM 410 CD PRO A 6 83.255 0.394 -7.314 1.00 0.00 C ATOM 0 HA PRO A 6 81.744 1.568 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.438 -0.069 -6.968 1.00 0.00 H new ATOM 0 HB3 PRO A 6 80.254 1.643 -6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 6 81.699 0.828 -8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.218 2.214 -7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 6 83.292 -0.603 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.166 0.910 -7.617 1.00 0.00 H new ATOM 418 N ALA A 7 81.687 -1.636 -4.680 1.00 0.00 N ATOM 419 CA ALA A 7 81.277 -2.757 -3.852 1.00 0.00 C ATOM 420 C ALA A 7 81.968 -2.700 -2.494 1.00 0.00 C ATOM 421 O ALA A 7 81.309 -2.696 -1.455 1.00 0.00 O ATOM 422 CB ALA A 7 81.586 -4.072 -4.551 1.00 0.00 C ATOM 0 H ALA A 7 82.415 -1.860 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 7 80.201 -2.693 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.273 -4.903 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.049 -4.115 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.658 -4.142 -4.738 1.00 0.00 H new ATOM 428 N ALA A 8 83.297 -2.630 -2.510 1.00 0.00 N ATOM 429 CA ALA A 8 84.083 -2.644 -1.282 1.00 0.00 C ATOM 430 C ALA A 8 83.761 -1.443 -0.399 1.00 0.00 C ATOM 431 O ALA A 8 83.552 -1.589 0.805 1.00 0.00 O ATOM 432 CB ALA A 8 85.570 -2.679 -1.602 1.00 0.00 C ATOM 0 H ALA A 8 83.852 -2.563 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 8 83.818 -3.546 -0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 8 86.142 -2.689 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.797 -3.576 -2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.838 -1.797 -2.184 1.00 0.00 H new ATOM 438 N ALA A 9 83.705 -0.264 -1.007 1.00 0.00 N ATOM 439 CA ALA A 9 83.431 0.962 -0.271 1.00 0.00 C ATOM 440 C ALA A 9 82.058 0.907 0.386 1.00 0.00 C ATOM 441 O ALA A 9 81.896 1.299 1.541 1.00 0.00 O ATOM 442 CB ALA A 9 83.527 2.169 -1.192 1.00 0.00 C ATOM 0 H ALA A 9 83.846 -0.132 -2.009 1.00 0.00 H new ATOM 0 HA ALA A 9 84.181 1.060 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.319 3.077 -0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.531 2.226 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.800 2.070 -1.998 1.00 0.00 H new ATOM 448 N GLU A 10 81.080 0.392 -0.347 1.00 0.00 N ATOM 449 CA GLU A 10 79.714 0.320 0.147 1.00 0.00 C ATOM 450 C GLU A 10 79.583 -0.758 1.218 1.00 0.00 C ATOM 451 O GLU A 10 78.842 -0.594 2.184 1.00 0.00 O ATOM 452 CB GLU A 10 78.747 0.050 -1.005 1.00 0.00 C ATOM 453 CG GLU A 10 77.284 0.146 -0.614 1.00 0.00 C ATOM 454 CD GLU A 10 76.370 0.162 -1.817 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.149 1.253 -2.380 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.869 -0.914 -2.208 1.00 0.00 O ATOM 0 H GLU A 10 81.209 0.018 -1.287 1.00 0.00 H new ATOM 0 HA GLU A 10 79.460 1.280 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.946 0.760 -1.808 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.942 -0.945 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.025 -0.698 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 10 77.125 1.051 -0.028 1.00 0.00 H new ATOM 463 N GLN A 11 80.317 -1.851 1.049 1.00 0.00 N ATOM 464 CA GLN A 11 80.300 -2.941 2.016 1.00 0.00 C ATOM 465 C GLN A 11 80.783 -2.456 3.381 1.00 0.00 C ATOM 466 O GLN A 11 80.153 -2.726 4.408 1.00 0.00 O ATOM 467 CB GLN A 11 81.176 -4.099 1.529 1.00 0.00 C ATOM 468 CG GLN A 11 81.087 -5.344 2.399 1.00 0.00 C ATOM 469 CD GLN A 11 79.693 -5.940 2.424 1.00 0.00 C ATOM 470 OE1 GLN A 11 79.350 -6.788 1.598 1.00 0.00 O ATOM 471 NE2 GLN A 11 78.875 -5.504 3.371 1.00 0.00 N ATOM 0 H GLN A 11 80.932 -2.006 0.250 1.00 0.00 H new ATOM 0 HA GLN A 11 79.274 -3.294 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.887 -4.358 0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.213 -3.767 1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.791 -6.091 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 11 81.390 -5.094 3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 11 79.195 -4.801 4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 11 77.926 -5.871 3.434 1.00 0.00 H new ATOM 480 N VAL A 12 81.897 -1.731 3.383 1.00 0.00 N ATOM 481 CA VAL A 12 82.454 -1.181 4.614 1.00 0.00 C ATOM 482 C VAL A 12 81.556 -0.068 5.153 1.00 0.00 C ATOM 483 O VAL A 12 81.316 0.027 6.359 1.00 0.00 O ATOM 484 CB VAL A 12 83.883 -0.634 4.395 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.476 -0.118 5.699 1.00 0.00 C ATOM 486 CG2 VAL A 12 84.781 -1.705 3.791 1.00 0.00 C ATOM 0 H VAL A 12 82.433 -1.510 2.544 1.00 0.00 H new ATOM 0 HA VAL A 12 82.506 -1.991 5.341 1.00 0.00 H new ATOM 0 HB VAL A 12 83.819 0.200 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.482 0.261 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 12 83.851 0.685 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.520 -0.930 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.782 -1.300 3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 12 84.830 -2.561 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.374 -2.022 2.831 1.00 0.00 H new ATOM 496 N LEU A 13 81.045 0.757 4.244 1.00 0.00 N ATOM 497 CA LEU A 13 80.151 1.848 4.607 1.00 0.00 C ATOM 498 C LEU A 13 78.881 1.313 5.261 1.00 0.00 C ATOM 499 O LEU A 13 78.382 1.885 6.225 1.00 0.00 O ATOM 500 CB LEU A 13 79.793 2.674 3.367 1.00 0.00 C ATOM 501 CG LEU A 13 78.856 3.857 3.613 1.00 0.00 C ATOM 502 CD1 LEU A 13 79.494 4.860 4.560 1.00 0.00 C ATOM 503 CD2 LEU A 13 78.489 4.523 2.295 1.00 0.00 C ATOM 0 H LEU A 13 81.237 0.688 3.245 1.00 0.00 H new ATOM 0 HA LEU A 13 80.666 2.487 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.715 3.049 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 13 79.331 2.014 2.633 1.00 0.00 H new ATOM 0 HG LEU A 13 77.944 3.484 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 13 78.811 5.694 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 13 79.707 4.376 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 13 80.422 5.231 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 13 77.822 5.363 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 13 79.394 4.882 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.988 3.801 1.650 1.00 0.00 H new ATOM 515 N LYS A 14 78.372 0.208 4.733 1.00 0.00 N ATOM 516 CA LYS A 14 77.153 -0.401 5.247 1.00 0.00 C ATOM 517 C LYS A 14 77.379 -0.957 6.650 1.00 0.00 C ATOM 518 O LYS A 14 76.490 -0.900 7.499 1.00 0.00 O ATOM 519 CB LYS A 14 76.682 -1.505 4.300 1.00 0.00 C ATOM 520 CG LYS A 14 75.279 -2.011 4.589 1.00 0.00 C ATOM 521 CD LYS A 14 74.800 -2.951 3.497 1.00 0.00 C ATOM 522 CE LYS A 14 73.350 -3.354 3.702 1.00 0.00 C ATOM 523 NZ LYS A 14 72.834 -4.167 2.569 1.00 0.00 N ATOM 0 H LYS A 14 78.788 -0.287 3.944 1.00 0.00 H new ATOM 0 HA LYS A 14 76.378 0.364 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.719 -1.132 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.378 -2.342 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.266 -2.527 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.595 -1.167 4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.910 -2.468 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.427 -3.842 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 14 73.259 -3.922 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 14 72.737 -2.460 3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 71.842 -4.421 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.897 -3.616 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.402 -5.033 2.476 1.00 0.00 H new ATOM 537 N ALA A 15 78.576 -1.481 6.891 1.00 0.00 N ATOM 538 CA ALA A 15 78.941 -1.973 8.214 1.00 0.00 C ATOM 539 C ALA A 15 78.929 -0.833 9.228 1.00 0.00 C ATOM 540 O ALA A 15 78.475 -0.993 10.361 1.00 0.00 O ATOM 541 CB ALA A 15 80.308 -2.640 8.177 1.00 0.00 C ATOM 0 H ALA A 15 79.309 -1.576 6.188 1.00 0.00 H new ATOM 0 HA ALA A 15 78.205 -2.716 8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 15 80.564 -3.001 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 15 80.285 -3.479 7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.056 -1.918 7.849 1.00 0.00 H new ATOM 547 N ALA A 16 79.418 0.325 8.806 1.00 0.00 N ATOM 548 CA ALA A 16 79.388 1.513 9.646 1.00 0.00 C ATOM 549 C ALA A 16 77.962 2.040 9.766 1.00 0.00 C ATOM 550 O ALA A 16 77.541 2.481 10.833 1.00 0.00 O ATOM 551 CB ALA A 16 80.310 2.585 9.084 1.00 0.00 C ATOM 0 H ALA A 16 79.840 0.466 7.888 1.00 0.00 H new ATOM 0 HA ALA A 16 79.742 1.245 10.641 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.276 3.467 9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.330 2.204 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.985 2.854 8.079 1.00 0.00 H new ATOM 557 N LYS A 17 77.222 1.955 8.664 1.00 0.00 N ATOM 558 CA LYS A 17 75.837 2.417 8.595 1.00 0.00 C ATOM 559 C LYS A 17 74.959 1.687 9.613 1.00 0.00 C ATOM 560 O LYS A 17 73.929 2.208 10.046 1.00 0.00 O ATOM 561 CB LYS A 17 75.293 2.203 7.176 1.00 0.00 C ATOM 562 CG LYS A 17 73.895 2.757 6.956 1.00 0.00 C ATOM 563 CD LYS A 17 73.393 2.463 5.552 1.00 0.00 C ATOM 564 CE LYS A 17 71.995 3.019 5.335 1.00 0.00 C ATOM 565 NZ LYS A 17 71.471 2.698 3.980 1.00 0.00 N ATOM 0 H LYS A 17 77.567 1.562 7.789 1.00 0.00 H new ATOM 0 HA LYS A 17 75.815 3.480 8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.973 2.670 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.287 1.135 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.212 2.323 7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.899 3.834 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 17 74.076 2.897 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 17 73.388 1.386 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 17 71.322 2.612 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 17 72.010 4.100 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 70.516 3.095 3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 72.099 3.108 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 71.432 1.666 3.858 1.00 0.00 H new ATOM 579 N GLN A 18 75.376 0.482 9.994 1.00 0.00 N ATOM 580 CA GLN A 18 74.682 -0.286 11.025 1.00 0.00 C ATOM 581 C GLN A 18 74.652 0.476 12.349 1.00 0.00 C ATOM 582 O GLN A 18 73.828 0.194 13.219 1.00 0.00 O ATOM 583 CB GLN A 18 75.355 -1.642 11.231 1.00 0.00 C ATOM 584 CG GLN A 18 75.270 -2.561 10.024 1.00 0.00 C ATOM 585 CD GLN A 18 75.982 -3.882 10.245 1.00 0.00 C ATOM 586 OE1 GLN A 18 76.970 -3.958 10.976 1.00 0.00 O ATOM 587 NE2 GLN A 18 75.477 -4.933 9.622 1.00 0.00 N ATOM 0 H GLN A 18 76.194 0.015 9.603 1.00 0.00 H new ATOM 0 HA GLN A 18 73.658 -0.442 10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 18 76.404 -1.482 11.480 1.00 0.00 H new ATOM 0 HB3 GLN A 18 74.896 -2.138 12.086 1.00 0.00 H new ATOM 0 HG2 GLN A 18 74.223 -2.752 9.790 1.00 0.00 H new ATOM 0 HG3 GLN A 18 75.703 -2.059 9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 18 74.657 -4.827 9.025 1.00 0.00 H new ATOM 0 HE22 GLN A 18 75.908 -5.850 9.738 1.00 0.00 H new ATOM 596 N GLY A 19 75.557 1.435 12.497 1.00 0.00 N ATOM 597 CA GLY A 19 75.605 2.236 13.702 1.00 0.00 C ATOM 598 C GLY A 19 76.644 1.734 14.679 1.00 0.00 C ATOM 599 O GLY A 19 76.901 2.366 15.700 1.00 0.00 O ATOM 0 H GLY A 19 76.262 1.672 11.799 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.825 3.271 13.440 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.626 2.229 14.180 1.00 0.00 H new ATOM 603 N GLY A 20 77.255 0.601 14.355 1.00 0.00 N ATOM 604 CA GLY A 20 78.230 0.003 15.244 1.00 0.00 C ATOM 605 C GLY A 20 79.543 0.761 15.273 1.00 0.00 C ATOM 606 O GLY A 20 80.058 1.086 16.342 1.00 0.00 O ATOM 0 H GLY A 20 77.091 0.085 13.490 1.00 0.00 H new ATOM 0 HA2 GLY A 20 77.818 -0.039 16.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 78.416 -1.025 14.933 1.00 0.00 H new ATOM 610 N THR A 21 80.083 1.052 14.097 1.00 0.00 N ATOM 611 CA THR A 21 81.379 1.704 13.999 1.00 0.00 C ATOM 612 C THR A 21 81.275 3.101 13.391 1.00 0.00 C ATOM 613 O THR A 21 82.285 3.697 13.018 1.00 0.00 O ATOM 614 CB THR A 21 82.345 0.855 13.156 1.00 0.00 C ATOM 615 OG1 THR A 21 81.695 0.440 11.946 1.00 0.00 O ATOM 616 CG2 THR A 21 82.812 -0.368 13.932 1.00 0.00 C ATOM 0 H THR A 21 79.643 0.847 13.200 1.00 0.00 H new ATOM 0 HA THR A 21 81.762 1.803 15.015 1.00 0.00 H new ATOM 0 HB THR A 21 83.216 1.464 12.914 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.314 -0.099 11.411 1.00 0.00 H new ATOM 0 HG21 THR A 21 83.494 -0.952 13.314 1.00 0.00 H new ATOM 0 HG22 THR A 21 83.326 -0.049 14.839 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.951 -0.980 14.200 1.00 0.00 H new ATOM 624 N GLU A 22 80.061 3.642 13.330 1.00 0.00 N ATOM 625 CA GLU A 22 79.837 4.946 12.706 1.00 0.00 C ATOM 626 C GLU A 22 80.141 6.084 13.689 1.00 0.00 C ATOM 627 O GLU A 22 79.486 7.128 13.690 1.00 0.00 O ATOM 628 CB GLU A 22 78.398 5.052 12.197 1.00 0.00 C ATOM 629 CG GLU A 22 78.192 6.170 11.186 1.00 0.00 C ATOM 630 CD GLU A 22 76.741 6.349 10.804 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.944 6.743 11.679 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.397 6.124 9.626 1.00 0.00 O ATOM 0 H GLU A 22 79.220 3.201 13.703 1.00 0.00 H new ATOM 0 HA GLU A 22 80.517 5.039 11.859 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.111 4.104 11.742 1.00 0.00 H new ATOM 0 HB3 GLU A 22 77.732 5.213 13.045 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.573 7.104 11.600 1.00 0.00 H new ATOM 0 HG3 GLU A 22 78.776 5.957 10.291 1.00 0.00 H new ATOM 639 N GLY A 23 81.149 5.871 14.516 1.00 0.00 N ATOM 640 CA GLY A 23 81.594 6.892 15.439 1.00 0.00 C ATOM 641 C GLY A 23 83.102 6.929 15.515 1.00 0.00 C ATOM 642 O GLY A 23 83.682 7.526 16.420 1.00 0.00 O ATOM 0 H GLY A 23 81.674 4.998 14.565 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.218 7.864 15.121 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.181 6.698 16.429 1.00 0.00 H new ATOM 646 N MET A 24 83.732 6.274 14.549 1.00 0.00 N ATOM 647 CA MET A 24 85.181 6.153 14.502 1.00 0.00 C ATOM 648 C MET A 24 85.647 6.282 13.059 1.00 0.00 C ATOM 649 O MET A 24 84.826 6.303 12.142 1.00 0.00 O ATOM 650 CB MET A 24 85.619 4.802 15.080 1.00 0.00 C ATOM 651 CG MET A 24 85.218 4.601 16.535 1.00 0.00 C ATOM 652 SD MET A 24 85.485 2.913 17.113 1.00 0.00 S ATOM 653 CE MET A 24 87.264 2.783 16.973 1.00 0.00 C ATOM 0 H MET A 24 83.252 5.812 13.777 1.00 0.00 H new ATOM 0 HA MET A 24 85.630 6.945 15.101 1.00 0.00 H new ATOM 0 HB2 MET A 24 85.186 4.002 14.479 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.702 4.714 14.995 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.787 5.288 17.161 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.166 4.858 16.655 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.579 1.780 17.261 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.563 2.975 15.943 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.735 3.514 17.630 1.00 0.00 H new ATOM 663 N CYS A 25 86.951 6.357 12.854 1.00 0.00 N ATOM 664 CA CYS A 25 87.495 6.509 11.515 1.00 0.00 C ATOM 665 C CYS A 25 88.307 5.277 11.140 1.00 0.00 C ATOM 666 O CYS A 25 88.964 4.676 11.991 1.00 0.00 O ATOM 667 CB CYS A 25 88.363 7.771 11.439 1.00 0.00 C ATOM 668 SG CYS A 25 88.898 8.221 9.770 1.00 0.00 S ATOM 0 H CYS A 25 87.651 6.315 13.595 1.00 0.00 H new ATOM 0 HA CYS A 25 86.673 6.612 10.806 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.805 8.605 11.864 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.246 7.627 12.062 1.00 0.00 H new ATOM 0 HG CYS A 25 88.201 7.557 8.897 1.00 0.00 H new ATOM 674 N LEU A 26 88.244 4.886 9.874 1.00 0.00 N ATOM 675 CA LEU A 26 88.986 3.729 9.401 1.00 0.00 C ATOM 676 C LEU A 26 90.471 4.058 9.331 1.00 0.00 C ATOM 677 O LEU A 26 90.878 5.000 8.653 1.00 0.00 O ATOM 678 CB LEU A 26 88.473 3.281 8.030 1.00 0.00 C ATOM 679 CG LEU A 26 89.084 1.979 7.500 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.746 0.815 8.419 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.599 1.698 6.088 1.00 0.00 C ATOM 0 H LEU A 26 87.687 5.353 9.159 1.00 0.00 H new ATOM 0 HA LEU A 26 88.838 2.909 10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.391 3.160 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.668 4.075 7.309 1.00 0.00 H new ATOM 0 HG LEU A 26 90.168 2.095 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.189 -0.100 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.143 1.011 9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.664 0.699 8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.043 0.770 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.513 1.604 6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.892 2.518 5.433 1.00 0.00 H new ATOM 693 N ARG A 27 91.275 3.286 10.041 1.00 0.00 N ATOM 694 CA ARG A 27 92.705 3.522 10.097 1.00 0.00 C ATOM 695 C ARG A 27 93.440 2.287 9.599 1.00 0.00 C ATOM 696 O ARG A 27 93.202 1.178 10.079 1.00 0.00 O ATOM 697 CB ARG A 27 93.116 3.847 11.533 1.00 0.00 C ATOM 698 CG ARG A 27 94.416 4.623 11.649 1.00 0.00 C ATOM 699 CD ARG A 27 94.699 4.992 13.094 1.00 0.00 C ATOM 700 NE ARG A 27 95.702 6.046 13.212 1.00 0.00 N ATOM 701 CZ ARG A 27 96.091 6.576 14.371 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.583 6.138 15.520 1.00 0.00 N ATOM 703 NH2 ARG A 27 96.975 7.557 14.381 1.00 0.00 N ATOM 0 H ARG A 27 90.958 2.486 10.589 1.00 0.00 H new ATOM 0 HA ARG A 27 92.965 4.368 9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.320 4.422 12.005 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.211 2.916 12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.238 4.025 11.254 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.360 5.527 11.043 1.00 0.00 H new ATOM 0 HD2 ARG A 27 93.775 5.319 13.571 1.00 0.00 H new ATOM 0 HD3 ARG A 27 95.040 4.108 13.632 1.00 0.00 H new ATOM 0 HE ARG A 27 96.131 6.398 12.356 1.00 0.00 H new ATOM 0 HH11 ARG A 27 94.889 5.390 15.519 1.00 0.00 H new ATOM 0 HH12 ARG A 27 95.887 6.550 16.402 1.00 0.00 H new ATOM 0 HH21 ARG A 27 97.358 7.907 13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 27 97.275 7.965 15.267 1.00 0.00 H new ATOM 717 N LEU A 28 94.317 2.471 8.627 1.00 0.00 N ATOM 718 CA LEU A 28 95.009 1.343 8.027 1.00 0.00 C ATOM 719 C LEU A 28 96.450 1.274 8.510 1.00 0.00 C ATOM 720 O LEU A 28 97.192 2.254 8.424 1.00 0.00 O ATOM 721 CB LEU A 28 94.973 1.430 6.500 1.00 0.00 C ATOM 722 CG LEU A 28 93.577 1.583 5.883 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.650 1.454 4.371 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.611 0.559 6.457 1.00 0.00 C ATOM 0 H LEU A 28 94.565 3.381 8.239 1.00 0.00 H new ATOM 0 HA LEU A 28 94.493 0.434 8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.585 2.276 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.436 0.532 6.091 1.00 0.00 H new ATOM 0 HG LEU A 28 93.204 2.576 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.652 1.565 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.302 2.230 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.049 0.474 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.629 0.690 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 28 92.978 -0.446 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.533 0.697 7.535 1.00 0.00 H new ATOM 736 N ALA A 29 96.829 0.119 9.025 1.00 0.00 N ATOM 737 CA ALA A 29 98.187 -0.099 9.492 1.00 0.00 C ATOM 738 C ALA A 29 98.932 -1.009 8.528 1.00 0.00 C ATOM 739 O ALA A 29 98.336 -1.904 7.921 1.00 0.00 O ATOM 740 CB ALA A 29 98.178 -0.691 10.891 1.00 0.00 C ATOM 0 H ALA A 29 96.213 -0.687 9.131 1.00 0.00 H new ATOM 0 HA ALA A 29 98.703 0.860 9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.203 -0.848 11.226 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.674 -0.006 11.573 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.650 -1.644 10.879 1.00 0.00 H new ATOM 746 N ALA A 30 100.229 -0.781 8.390 1.00 0.00 N ATOM 747 CA ALA A 30 101.040 -1.534 7.451 1.00 0.00 C ATOM 748 C ALA A 30 102.289 -2.089 8.121 1.00 0.00 C ATOM 749 O ALA A 30 102.970 -1.385 8.869 1.00 0.00 O ATOM 750 CB ALA A 30 101.429 -0.659 6.271 1.00 0.00 C ATOM 0 H ALA A 30 100.743 -0.077 8.920 1.00 0.00 H new ATOM 0 HA ALA A 30 100.444 -2.374 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.037 -1.236 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.529 -0.310 5.764 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.000 0.198 6.627 1.00 0.00 H new ATOM 756 N GLY A 31 102.570 -3.350 7.856 1.00 0.00 N ATOM 757 CA GLY A 31 103.776 -3.968 8.357 1.00 0.00 C ATOM 758 C GLY A 31 104.464 -4.781 7.285 1.00 0.00 C ATOM 759 O GLY A 31 104.011 -4.808 6.139 1.00 0.00 O ATOM 0 H GLY A 31 101.978 -3.964 7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 31 104.455 -3.199 8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 31 103.533 -4.610 9.204 1.00 0.00 H new ATOM 763 N ARG A 32 105.545 -5.453 7.640 1.00 0.00 N ATOM 764 CA ARG A 32 106.278 -6.265 6.682 1.00 0.00 C ATOM 765 C ARG A 32 106.399 -7.704 7.155 1.00 0.00 C ATOM 766 O ARG A 32 107.111 -7.995 8.115 1.00 0.00 O ATOM 767 CB ARG A 32 107.669 -5.682 6.427 1.00 0.00 C ATOM 768 CG ARG A 32 107.678 -4.517 5.455 1.00 0.00 C ATOM 769 CD ARG A 32 109.082 -3.965 5.265 1.00 0.00 C ATOM 770 NE ARG A 32 109.195 -3.169 4.044 1.00 0.00 N ATOM 771 CZ ARG A 32 110.252 -2.422 3.728 1.00 0.00 C ATOM 772 NH1 ARG A 32 111.245 -2.268 4.595 1.00 0.00 N ATOM 773 NH2 ARG A 32 110.300 -1.803 2.558 1.00 0.00 N ATOM 0 H ARG A 32 105.935 -5.453 8.583 1.00 0.00 H new ATOM 0 HA ARG A 32 105.715 -6.256 5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 32 108.095 -5.354 7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 32 108.317 -6.469 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 32 107.279 -4.840 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 32 107.022 -3.728 5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 32 109.350 -3.351 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 32 109.794 -4.789 5.228 1.00 0.00 H new ATOM 0 HE ARG A 32 108.412 -3.187 3.390 1.00 0.00 H new ATOM 0 HH11 ARG A 32 111.201 -2.722 5.507 1.00 0.00 H new ATOM 0 HH12 ARG A 32 112.052 -1.695 4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 32 109.528 -1.898 1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 32 111.109 -1.231 2.316 1.00 0.00 H new ATOM 787 N ASN A 33 105.693 -8.597 6.478 1.00 0.00 N ATOM 788 CA ASN A 33 105.813 -10.024 6.729 1.00 0.00 C ATOM 789 C ASN A 33 106.952 -10.565 5.868 1.00 0.00 C ATOM 790 O ASN A 33 106.802 -10.694 4.654 1.00 0.00 O ATOM 791 CB ASN A 33 104.488 -10.735 6.411 1.00 0.00 C ATOM 792 CG ASN A 33 104.472 -12.206 6.804 1.00 0.00 C ATOM 793 OD1 ASN A 33 105.489 -12.897 6.758 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.303 -12.695 7.193 1.00 0.00 N ATOM 0 H ASN A 33 105.026 -8.355 5.745 1.00 0.00 H new ATOM 0 HA ASN A 33 106.034 -10.207 7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 33 103.677 -10.221 6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 33 104.289 -10.651 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 33 103.226 -13.674 7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 33 102.481 -12.092 7.219 1.00 0.00 H new ATOM 834 N SER A 37 104.366 -11.258 2.715 1.00 0.00 N ATOM 835 CA SER A 37 103.854 -10.151 1.912 1.00 0.00 C ATOM 836 C SER A 37 103.829 -8.900 2.781 1.00 0.00 C ATOM 837 O SER A 37 104.473 -8.859 3.833 1.00 0.00 O ATOM 838 CB SER A 37 102.434 -10.462 1.406 1.00 0.00 C ATOM 839 OG SER A 37 102.298 -10.168 0.024 1.00 0.00 O ATOM 0 HA SER A 37 104.498 -9.999 1.046 1.00 0.00 H new ATOM 0 HB2 SER A 37 102.207 -11.514 1.579 1.00 0.00 H new ATOM 0 HB3 SER A 37 101.708 -9.881 1.976 1.00 0.00 H new ATOM 0 HG SER A 37 101.386 -10.378 -0.267 1.00 0.00 H new ATOM 845 N ILE A 38 103.098 -7.883 2.361 1.00 0.00 N ATOM 846 CA ILE A 38 102.908 -6.707 3.184 1.00 0.00 C ATOM 847 C ILE A 38 101.784 -6.965 4.181 1.00 0.00 C ATOM 848 O ILE A 38 100.798 -7.624 3.855 1.00 0.00 O ATOM 849 CB ILE A 38 102.607 -5.458 2.329 1.00 0.00 C ATOM 850 CG1 ILE A 38 103.729 -5.239 1.311 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.438 -4.225 3.208 1.00 0.00 C ATOM 852 CD1 ILE A 38 103.509 -4.057 0.394 1.00 0.00 C ATOM 0 H ILE A 38 102.628 -7.850 1.456 1.00 0.00 H new ATOM 0 HA ILE A 38 103.833 -6.508 3.725 1.00 0.00 H new ATOM 0 HB ILE A 38 101.671 -5.622 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 38 104.668 -5.100 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 38 103.837 -6.139 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.227 -3.358 2.582 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.611 -4.383 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.355 -4.051 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 38 104.348 -3.971 -0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 38 102.588 -4.201 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 38 103.432 -3.146 0.987 1.00 0.00 H new ATOM 864 N ASP A 39 101.946 -6.474 5.398 1.00 0.00 N ATOM 865 CA ASP A 39 100.988 -6.739 6.464 1.00 0.00 C ATOM 866 C ASP A 39 99.909 -5.659 6.483 1.00 0.00 C ATOM 867 O ASP A 39 100.152 -4.532 6.914 1.00 0.00 O ATOM 868 CB ASP A 39 101.714 -6.801 7.815 1.00 0.00 C ATOM 869 CG ASP A 39 100.802 -7.159 8.970 1.00 0.00 C ATOM 870 OD1 ASP A 39 100.446 -8.345 9.104 1.00 0.00 O ATOM 871 OD2 ASP A 39 100.463 -6.263 9.766 1.00 0.00 O ATOM 0 H ASP A 39 102.733 -5.888 5.675 1.00 0.00 H new ATOM 0 HA ASP A 39 100.508 -7.701 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 39 102.517 -7.535 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 39 102.179 -5.836 8.014 1.00 0.00 H new ATOM 876 N TYR A 40 98.733 -6.006 5.977 1.00 0.00 N ATOM 877 CA TYR A 40 97.617 -5.068 5.901 1.00 0.00 C ATOM 878 C TYR A 40 96.664 -5.263 7.070 1.00 0.00 C ATOM 879 O TYR A 40 95.986 -6.286 7.166 1.00 0.00 O ATOM 880 CB TYR A 40 96.848 -5.248 4.587 1.00 0.00 C ATOM 881 CG TYR A 40 97.617 -4.836 3.353 1.00 0.00 C ATOM 882 CD1 TYR A 40 98.567 -5.676 2.789 1.00 0.00 C ATOM 883 CD2 TYR A 40 97.387 -3.608 2.749 1.00 0.00 C ATOM 884 CE1 TYR A 40 99.268 -5.301 1.660 1.00 0.00 C ATOM 885 CE2 TYR A 40 98.082 -3.227 1.619 1.00 0.00 C ATOM 886 CZ TYR A 40 99.021 -4.078 1.078 1.00 0.00 C ATOM 887 OH TYR A 40 99.724 -3.697 -0.042 1.00 0.00 O ATOM 0 H TYR A 40 98.525 -6.935 5.611 1.00 0.00 H new ATOM 0 HA TYR A 40 98.030 -4.060 5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.561 -6.295 4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 40 95.927 -4.668 4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 40 98.761 -6.638 3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 40 96.651 -2.939 3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 40 100.007 -5.964 1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 40 97.891 -2.268 1.162 1.00 0.00 H new ATOM 0 HH TYR A 40 99.428 -2.807 -0.327 1.00 0.00 H new ATOM 897 N ARG A 41 96.615 -4.284 7.959 1.00 0.00 N ATOM 898 CA ARG A 41 95.706 -4.337 9.093 1.00 0.00 C ATOM 899 C ARG A 41 94.681 -3.215 8.989 1.00 0.00 C ATOM 900 O ARG A 41 95.008 -2.042 9.172 1.00 0.00 O ATOM 901 CB ARG A 41 96.481 -4.250 10.410 1.00 0.00 C ATOM 902 CG ARG A 41 97.599 -5.276 10.506 1.00 0.00 C ATOM 903 CD ARG A 41 98.213 -5.341 11.896 1.00 0.00 C ATOM 904 NE ARG A 41 98.722 -4.049 12.357 1.00 0.00 N ATOM 905 CZ ARG A 41 99.999 -3.673 12.275 1.00 0.00 C ATOM 906 NH1 ARG A 41 100.872 -4.389 11.577 1.00 0.00 N ATOM 907 NH2 ARG A 41 100.393 -2.547 12.856 1.00 0.00 N ATOM 0 H ARG A 41 97.193 -3.444 7.918 1.00 0.00 H new ATOM 0 HA ARG A 41 95.179 -5.291 9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.902 -3.250 10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.791 -4.392 11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 41 97.210 -6.258 10.238 1.00 0.00 H new ATOM 0 HG3 ARG A 41 98.375 -5.032 9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 41 97.465 -5.703 12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 41 99.027 -6.066 11.894 1.00 0.00 H new ATOM 0 HE ARG A 41 98.057 -3.393 12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 41 100.569 -5.236 11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 41 101.846 -4.092 11.521 1.00 0.00 H new ATOM 0 HH21 ARG A 41 99.720 -1.972 13.363 1.00 0.00 H new ATOM 0 HH22 ARG A 41 101.369 -2.256 12.795 1.00 0.00 H new ATOM 921 N MET A 42 93.446 -3.579 8.669 1.00 0.00 N ATOM 922 CA MET A 42 92.389 -2.596 8.467 1.00 0.00 C ATOM 923 C MET A 42 91.416 -2.610 9.639 1.00 0.00 C ATOM 924 O MET A 42 90.728 -3.606 9.872 1.00 0.00 O ATOM 925 CB MET A 42 91.627 -2.876 7.165 1.00 0.00 C ATOM 926 CG MET A 42 92.520 -3.038 5.944 1.00 0.00 C ATOM 927 SD MET A 42 91.585 -3.128 4.403 1.00 0.00 S ATOM 928 CE MET A 42 90.517 -4.529 4.727 1.00 0.00 C ATOM 0 H MET A 42 93.151 -4.547 8.544 1.00 0.00 H new ATOM 0 HA MET A 42 92.855 -1.613 8.400 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.035 -3.782 7.291 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.927 -2.060 6.984 1.00 0.00 H new ATOM 0 HG2 MET A 42 93.215 -2.200 5.894 1.00 0.00 H new ATOM 0 HG3 MET A 42 93.118 -3.942 6.054 1.00 0.00 H new ATOM 0 HE1 MET A 42 90.076 -4.874 3.792 1.00 0.00 H new ATOM 0 HE2 MET A 42 91.100 -5.335 5.173 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.724 -4.231 5.413 1.00 0.00 H new ATOM 938 N GLY A 43 91.361 -1.512 10.376 1.00 0.00 N ATOM 939 CA GLY A 43 90.458 -1.428 11.502 1.00 0.00 C ATOM 940 C GLY A 43 90.028 -0.006 11.779 1.00 0.00 C ATOM 941 O GLY A 43 90.615 0.937 11.256 1.00 0.00 O ATOM 0 H GLY A 43 91.926 -0.678 10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.578 -2.041 11.307 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.943 -1.839 12.387 1.00 0.00 H new ATOM 945 N PHE A 44 88.996 0.154 12.588 1.00 0.00 N ATOM 946 CA PHE A 44 88.529 1.478 12.963 1.00 0.00 C ATOM 947 C PHE A 44 89.276 1.958 14.197 1.00 0.00 C ATOM 948 O PHE A 44 89.498 1.189 15.132 1.00 0.00 O ATOM 949 CB PHE A 44 87.020 1.468 13.226 1.00 0.00 C ATOM 950 CG PHE A 44 86.198 1.180 12.001 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.764 2.213 11.185 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.860 -0.122 11.664 1.00 0.00 C ATOM 953 CE1 PHE A 44 85.011 1.952 10.056 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.106 -0.388 10.537 1.00 0.00 C ATOM 955 CZ PHE A 44 84.680 0.651 9.732 1.00 0.00 C ATOM 0 H PHE A 44 88.466 -0.615 12.998 1.00 0.00 H new ATOM 0 HA PHE A 44 88.725 2.163 12.138 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.797 0.720 13.987 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.724 2.435 13.633 1.00 0.00 H new ATOM 0 HD1 PHE A 44 86.017 3.233 11.434 1.00 0.00 H new ATOM 0 HD2 PHE A 44 86.190 -0.938 12.290 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.681 2.766 9.427 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.850 -1.407 10.286 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.089 0.446 8.851 1.00 0.00 H new ATOM 965 N ASP A 45 89.667 3.220 14.193 1.00 0.00 N ATOM 966 CA ASP A 45 90.443 3.787 15.287 1.00 0.00 C ATOM 967 C ASP A 45 90.061 5.256 15.469 1.00 0.00 C ATOM 968 O ASP A 45 89.146 5.746 14.803 1.00 0.00 O ATOM 969 CB ASP A 45 91.939 3.640 14.980 1.00 0.00 C ATOM 970 CG ASP A 45 92.812 3.689 16.219 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.944 2.649 16.897 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.373 4.760 16.515 1.00 0.00 O ATOM 0 H ASP A 45 89.459 3.877 13.441 1.00 0.00 H new ATOM 0 HA ASP A 45 90.229 3.257 16.215 1.00 0.00 H new ATOM 0 HB2 ASP A 45 92.106 2.695 14.463 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.243 4.434 14.298 1.00 0.00 H new ATOM 977 N ASP A 46 90.745 5.956 16.362 1.00 0.00 N ATOM 978 CA ASP A 46 90.459 7.367 16.597 1.00 0.00 C ATOM 979 C ASP A 46 91.400 8.231 15.766 1.00 0.00 C ATOM 980 O ASP A 46 92.547 7.857 15.527 1.00 0.00 O ATOM 981 CB ASP A 46 90.583 7.709 18.084 1.00 0.00 C ATOM 982 CG ASP A 46 90.283 9.166 18.373 1.00 0.00 C ATOM 983 OD1 ASP A 46 89.172 9.627 18.037 1.00 0.00 O ATOM 984 OD2 ASP A 46 91.158 9.855 18.943 1.00 0.00 O ATOM 0 H ASP A 46 91.498 5.574 16.934 1.00 0.00 H new ATOM 0 HA ASP A 46 89.432 7.570 16.293 1.00 0.00 H new ATOM 0 HB2 ASP A 46 89.900 7.081 18.656 1.00 0.00 H new ATOM 0 HB3 ASP A 46 91.592 7.475 18.424 1.00 0.00 H new ATOM 989 N LEU A 47 90.913 9.384 15.332 1.00 0.00 N ATOM 990 CA LEU A 47 91.644 10.211 14.383 1.00 0.00 C ATOM 991 C LEU A 47 92.721 11.042 15.078 1.00 0.00 C ATOM 992 O LEU A 47 92.422 11.979 15.820 1.00 0.00 O ATOM 993 CB LEU A 47 90.665 11.117 13.619 1.00 0.00 C ATOM 994 CG LEU A 47 91.212 11.794 12.351 1.00 0.00 C ATOM 995 CD1 LEU A 47 90.068 12.199 11.439 1.00 0.00 C ATOM 996 CD2 LEU A 47 92.051 13.019 12.694 1.00 0.00 C ATOM 0 H LEU A 47 90.014 9.769 15.622 1.00 0.00 H new ATOM 0 HA LEU A 47 92.148 9.554 13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 47 89.794 10.523 13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 47 90.317 11.894 14.299 1.00 0.00 H new ATOM 0 HG LEU A 47 91.850 11.074 11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 47 90.467 12.677 10.545 1.00 0.00 H new ATOM 0 HD12 LEU A 47 89.499 11.314 11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 47 89.415 12.897 11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 47 92.423 13.474 11.776 1.00 0.00 H new ATOM 0 HD22 LEU A 47 91.438 13.740 13.234 1.00 0.00 H new ATOM 0 HD23 LEU A 47 92.894 12.720 13.317 1.00 0.00 H new ATOM 1008 N THR A 48 93.969 10.674 14.841 1.00 0.00 N ATOM 1009 CA THR A 48 95.103 11.464 15.286 1.00 0.00 C ATOM 1010 C THR A 48 95.518 12.418 14.168 1.00 0.00 C ATOM 1011 O THR A 48 95.626 12.006 13.010 1.00 0.00 O ATOM 1012 CB THR A 48 96.293 10.554 15.658 1.00 0.00 C ATOM 1013 OG1 THR A 48 95.852 9.524 16.553 1.00 0.00 O ATOM 1014 CG2 THR A 48 97.412 11.351 16.315 1.00 0.00 C ATOM 0 H THR A 48 94.223 9.824 14.338 1.00 0.00 H new ATOM 0 HA THR A 48 94.812 12.029 16.172 1.00 0.00 H new ATOM 0 HB THR A 48 96.680 10.110 14.741 1.00 0.00 H new ATOM 0 HG1 THR A 48 96.629 9.047 16.911 1.00 0.00 H new ATOM 0 HG21 THR A 48 98.236 10.683 16.566 1.00 0.00 H new ATOM 0 HG22 THR A 48 97.764 12.119 15.627 1.00 0.00 H new ATOM 0 HG23 THR A 48 97.038 11.822 17.224 1.00 0.00 H new ATOM 1022 N GLU A 49 95.734 13.687 14.500 1.00 0.00 N ATOM 1023 CA GLU A 49 96.067 14.680 13.486 1.00 0.00 C ATOM 1024 C GLU A 49 97.536 14.576 13.076 1.00 0.00 C ATOM 1025 O GLU A 49 98.368 15.407 13.444 1.00 0.00 O ATOM 1026 CB GLU A 49 95.735 16.096 13.964 1.00 0.00 C ATOM 1027 CG GLU A 49 94.260 16.301 14.274 1.00 0.00 C ATOM 1028 CD GLU A 49 93.902 17.761 14.461 1.00 0.00 C ATOM 1029 OE1 GLU A 49 94.141 18.306 15.561 1.00 0.00 O ATOM 1030 OE2 GLU A 49 93.388 18.377 13.503 1.00 0.00 O ATOM 0 H GLU A 49 95.685 14.049 15.452 1.00 0.00 H new ATOM 0 HA GLU A 49 95.455 14.471 12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 49 96.320 16.316 14.857 1.00 0.00 H new ATOM 0 HB3 GLU A 49 96.040 16.810 13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 49 93.661 15.885 13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 49 94.002 15.749 15.178 1.00 0.00 H new ATOM 1037 N ASP A 50 97.833 13.521 12.338 1.00 0.00 N ATOM 1038 CA ASP A 50 99.162 13.281 11.783 1.00 0.00 C ATOM 1039 C ASP A 50 99.019 12.351 10.592 1.00 0.00 C ATOM 1040 O ASP A 50 99.691 12.503 9.571 1.00 0.00 O ATOM 1041 CB ASP A 50 100.099 12.657 12.824 1.00 0.00 C ATOM 1042 CG ASP A 50 101.526 12.520 12.320 1.00 0.00 C ATOM 1043 OD1 ASP A 50 102.254 13.535 12.314 1.00 0.00 O ATOM 1044 OD2 ASP A 50 101.935 11.400 11.942 1.00 0.00 O ATOM 0 H ASP A 50 97.154 12.797 12.102 1.00 0.00 H new ATOM 0 HA ASP A 50 99.599 14.232 11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 50 100.094 13.270 13.726 1.00 0.00 H new ATOM 0 HB3 ASP A 50 99.721 11.674 13.104 1.00 0.00 H new ATOM 1049 N ASP A 51 98.120 11.386 10.752 1.00 0.00 N ATOM 1050 CA ASP A 51 97.732 10.480 9.682 1.00 0.00 C ATOM 1051 C ASP A 51 97.181 11.258 8.492 1.00 0.00 C ATOM 1052 O ASP A 51 96.552 12.307 8.657 1.00 0.00 O ATOM 1053 CB ASP A 51 96.663 9.502 10.187 1.00 0.00 C ATOM 1054 CG ASP A 51 97.153 8.600 11.307 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.653 9.123 12.327 1.00 0.00 O ATOM 1056 OD2 ASP A 51 97.038 7.364 11.177 1.00 0.00 O ATOM 0 H ASP A 51 97.638 11.211 11.634 1.00 0.00 H new ATOM 0 HA ASP A 51 98.616 9.927 9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.800 10.068 10.537 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.324 8.885 9.355 1.00 0.00 H new ATOM 1061 N ILE A 52 97.418 10.745 7.297 1.00 0.00 N ATOM 1062 CA ILE A 52 96.901 11.362 6.088 1.00 0.00 C ATOM 1063 C ILE A 52 95.431 11.007 5.917 1.00 0.00 C ATOM 1064 O ILE A 52 95.063 9.830 5.923 1.00 0.00 O ATOM 1065 CB ILE A 52 97.699 10.929 4.836 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.168 11.345 4.976 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.090 11.531 3.572 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.030 10.969 3.789 1.00 0.00 C ATOM 0 H ILE A 52 97.967 9.900 7.138 1.00 0.00 H new ATOM 0 HA ILE A 52 97.009 12.442 6.191 1.00 0.00 H new ATOM 0 HB ILE A 52 97.649 9.843 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.217 12.424 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.582 10.884 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.667 11.214 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.060 11.191 3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.108 12.619 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.054 11.297 3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.013 9.887 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.643 11.451 2.891 1.00 0.00 H new ATOM 1080 N ARG A 53 94.600 12.029 5.775 1.00 0.00 N ATOM 1081 CA ARG A 53 93.162 11.840 5.666 1.00 0.00 C ATOM 1082 C ARG A 53 92.764 11.546 4.222 1.00 0.00 C ATOM 1083 O ARG A 53 92.888 12.398 3.344 1.00 0.00 O ATOM 1084 CB ARG A 53 92.430 13.088 6.172 1.00 0.00 C ATOM 1085 CG ARG A 53 90.923 13.021 6.015 1.00 0.00 C ATOM 1086 CD ARG A 53 90.262 14.299 6.502 1.00 0.00 C ATOM 1087 NE ARG A 53 88.834 14.325 6.202 1.00 0.00 N ATOM 1088 CZ ARG A 53 88.038 15.360 6.457 1.00 0.00 C ATOM 1089 NH1 ARG A 53 88.513 16.437 7.067 1.00 0.00 N ATOM 1090 NH2 ARG A 53 86.759 15.301 6.114 1.00 0.00 N ATOM 0 H ARG A 53 94.900 13.003 5.732 1.00 0.00 H new ATOM 0 HA ARG A 53 92.877 10.986 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.670 13.236 7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 53 92.803 13.960 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 53 90.671 12.855 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 53 90.534 12.171 6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 53 90.408 14.395 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 53 90.746 15.158 6.036 1.00 0.00 H new ATOM 0 HE ARG A 53 88.421 13.499 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 53 89.494 16.475 7.344 1.00 0.00 H new ATOM 0 HH12 ARG A 53 87.897 17.227 7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 53 86.391 14.466 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 53 86.142 16.091 6.306 1.00 0.00 H new ATOM 1104 N LEU A 54 92.292 10.334 3.995 1.00 0.00 N ATOM 1105 CA LEU A 54 91.866 9.906 2.674 1.00 0.00 C ATOM 1106 C LEU A 54 90.352 9.748 2.639 1.00 0.00 C ATOM 1107 O LEU A 54 89.811 8.750 3.113 1.00 0.00 O ATOM 1108 CB LEU A 54 92.528 8.576 2.304 1.00 0.00 C ATOM 1109 CG LEU A 54 94.057 8.575 2.306 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.588 7.173 2.053 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.592 9.537 1.259 1.00 0.00 C ATOM 0 H LEU A 54 92.193 9.621 4.717 1.00 0.00 H new ATOM 0 HA LEU A 54 92.167 10.665 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.181 7.812 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.184 8.283 1.312 1.00 0.00 H new ATOM 0 HG LEU A 54 94.399 8.905 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.678 7.190 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.232 6.503 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.235 6.820 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.682 9.523 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.240 9.234 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 54 94.239 10.545 1.477 1.00 0.00 H new ATOM 1123 N THR A 55 89.668 10.736 2.098 1.00 0.00 N ATOM 1124 CA THR A 55 88.228 10.660 1.953 1.00 0.00 C ATOM 1125 C THR A 55 87.874 10.038 0.608 1.00 0.00 C ATOM 1126 O THR A 55 87.955 10.689 -0.435 1.00 0.00 O ATOM 1127 CB THR A 55 87.579 12.054 2.079 1.00 0.00 C ATOM 1128 OG1 THR A 55 88.032 12.694 3.281 1.00 0.00 O ATOM 1129 CG2 THR A 55 86.060 11.949 2.100 1.00 0.00 C ATOM 0 H THR A 55 90.085 11.600 1.752 1.00 0.00 H new ATOM 0 HA THR A 55 87.838 10.033 2.755 1.00 0.00 H new ATOM 0 HB THR A 55 87.873 12.647 1.213 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.483 12.397 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.628 12.946 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.715 11.485 1.176 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.749 11.341 2.950 1.00 0.00 H new ATOM 1137 N SER A 56 87.519 8.762 0.637 1.00 0.00 N ATOM 1138 CA SER A 56 87.172 8.036 -0.570 1.00 0.00 C ATOM 1139 C SER A 56 85.681 8.207 -0.861 1.00 0.00 C ATOM 1140 O SER A 56 85.003 9.005 -0.207 1.00 0.00 O ATOM 1141 CB SER A 56 87.538 6.556 -0.407 1.00 0.00 C ATOM 1142 OG SER A 56 87.516 5.872 -1.649 1.00 0.00 O ATOM 0 H SER A 56 87.464 8.207 1.491 1.00 0.00 H new ATOM 0 HA SER A 56 87.734 8.435 -1.415 1.00 0.00 H new ATOM 0 HB2 SER A 56 88.530 6.473 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 56 86.839 6.082 0.282 1.00 0.00 H new ATOM 0 HG SER A 56 88.271 5.249 -1.692 1.00 0.00 H new ATOM 1148 N GLU A 57 85.168 7.444 -1.815 1.00 0.00 N ATOM 1149 CA GLU A 57 83.789 7.589 -2.256 1.00 0.00 C ATOM 1150 C GLU A 57 82.853 6.827 -1.322 1.00 0.00 C ATOM 1151 O GLU A 57 82.203 5.851 -1.707 1.00 0.00 O ATOM 1152 CB GLU A 57 83.648 7.101 -3.700 1.00 0.00 C ATOM 1153 CG GLU A 57 82.369 7.552 -4.386 1.00 0.00 C ATOM 1154 CD GLU A 57 82.331 7.151 -5.845 1.00 0.00 C ATOM 1155 OE1 GLU A 57 82.907 7.880 -6.682 1.00 0.00 O ATOM 1156 OE2 GLU A 57 81.733 6.103 -6.164 1.00 0.00 O ATOM 0 H GLU A 57 85.690 6.714 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 57 83.511 8.642 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.502 7.456 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 57 83.688 6.012 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 57 81.511 7.121 -3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 57 82.278 8.635 -4.306 1.00 0.00 H new ATOM 1163 N GLY A 58 82.828 7.265 -0.074 1.00 0.00 N ATOM 1164 CA GLY A 58 81.953 6.673 0.916 1.00 0.00 C ATOM 1165 C GLY A 58 82.657 6.423 2.232 1.00 0.00 C ATOM 1166 O GLY A 58 82.069 6.584 3.301 1.00 0.00 O ATOM 0 H GLY A 58 83.406 8.030 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.100 7.331 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.560 5.731 0.533 1.00 0.00 H new ATOM 1170 N VAL A 59 83.925 6.044 2.159 1.00 0.00 N ATOM 1171 CA VAL A 59 84.691 5.710 3.351 1.00 0.00 C ATOM 1172 C VAL A 59 85.803 6.727 3.577 1.00 0.00 C ATOM 1173 O VAL A 59 86.562 7.042 2.660 1.00 0.00 O ATOM 1174 CB VAL A 59 85.306 4.297 3.251 1.00 0.00 C ATOM 1175 CG1 VAL A 59 86.019 3.920 4.541 1.00 0.00 C ATOM 1176 CG2 VAL A 59 84.238 3.268 2.912 1.00 0.00 C ATOM 0 H VAL A 59 84.445 5.960 1.286 1.00 0.00 H new ATOM 0 HA VAL A 59 84.001 5.731 4.194 1.00 0.00 H new ATOM 0 HB VAL A 59 86.042 4.308 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.443 2.921 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.818 4.635 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.308 3.934 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.693 2.280 2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.475 3.265 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.780 3.521 1.956 1.00 0.00 H new ATOM 1186 N GLU A 60 85.884 7.247 4.793 1.00 0.00 N ATOM 1187 CA GLU A 60 86.925 8.198 5.146 1.00 0.00 C ATOM 1188 C GLU A 60 87.996 7.508 5.986 1.00 0.00 C ATOM 1189 O GLU A 60 87.726 7.018 7.086 1.00 0.00 O ATOM 1190 CB GLU A 60 86.326 9.395 5.885 1.00 0.00 C ATOM 1191 CG GLU A 60 87.310 10.528 6.116 1.00 0.00 C ATOM 1192 CD GLU A 60 86.613 11.838 6.407 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.190 12.052 7.561 1.00 0.00 O ATOM 1194 OE2 GLU A 60 86.474 12.658 5.474 1.00 0.00 O ATOM 0 H GLU A 60 85.240 7.025 5.552 1.00 0.00 H new ATOM 0 HA GLU A 60 87.393 8.571 4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.477 9.774 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.940 9.060 6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 60 87.965 10.274 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.943 10.643 5.236 1.00 0.00 H new ATOM 1201 N ILE A 61 89.202 7.468 5.443 1.00 0.00 N ATOM 1202 CA ILE A 61 90.295 6.701 6.020 1.00 0.00 C ATOM 1203 C ILE A 61 91.417 7.620 6.497 1.00 0.00 C ATOM 1204 O ILE A 61 91.628 8.693 5.937 1.00 0.00 O ATOM 1205 CB ILE A 61 90.852 5.715 4.964 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.730 4.816 4.441 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.988 4.876 5.534 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.142 3.939 3.281 1.00 0.00 C ATOM 0 H ILE A 61 89.451 7.967 4.589 1.00 0.00 H new ATOM 0 HA ILE A 61 89.911 6.150 6.878 1.00 0.00 H new ATOM 0 HB ILE A 61 91.255 6.297 4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.375 4.183 5.255 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.891 5.440 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.357 4.194 4.768 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.797 5.531 5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.624 4.302 6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.294 3.331 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.469 4.564 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 61 90.960 3.288 3.589 1.00 0.00 H new ATOM 1220 N VAL A 62 92.117 7.208 7.544 1.00 0.00 N ATOM 1221 CA VAL A 62 93.306 7.912 7.994 1.00 0.00 C ATOM 1222 C VAL A 62 94.496 6.958 8.048 1.00 0.00 C ATOM 1223 O VAL A 62 94.419 5.880 8.642 1.00 0.00 O ATOM 1224 CB VAL A 62 93.107 8.588 9.373 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.191 9.794 9.246 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.552 7.605 10.393 1.00 0.00 C ATOM 0 H VAL A 62 91.880 6.386 8.099 1.00 0.00 H new ATOM 0 HA VAL A 62 93.502 8.703 7.270 1.00 0.00 H new ATOM 0 HB VAL A 62 94.082 8.924 9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 62 92.062 10.257 10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.632 10.515 8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.221 9.476 8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.423 8.109 11.351 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.589 7.228 10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.246 6.773 10.511 1.00 0.00 H new ATOM 1236 N ILE A 63 95.577 7.335 7.381 1.00 0.00 N ATOM 1237 CA ILE A 63 96.787 6.522 7.361 1.00 0.00 C ATOM 1238 C ILE A 63 98.012 7.397 7.584 1.00 0.00 C ATOM 1239 O ILE A 63 98.312 8.267 6.766 1.00 0.00 O ATOM 1240 CB ILE A 63 96.967 5.777 6.019 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.684 5.051 5.613 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.122 4.788 6.121 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.753 4.425 4.237 1.00 0.00 C ATOM 0 H ILE A 63 95.642 8.200 6.845 1.00 0.00 H new ATOM 0 HA ILE A 63 96.684 5.788 8.160 1.00 0.00 H new ATOM 0 HB ILE A 63 97.194 6.515 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.468 4.274 6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.853 5.756 5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.241 4.268 5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.041 5.325 6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.912 4.063 6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.809 3.928 4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.938 5.200 3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.562 3.696 4.209 1.00 0.00 H new ATOM 1255 N ALA A 64 98.700 7.184 8.698 1.00 0.00 N ATOM 1256 CA ALA A 64 99.934 7.907 8.987 1.00 0.00 C ATOM 1257 C ALA A 64 100.929 7.758 7.837 1.00 0.00 C ATOM 1258 O ALA A 64 101.136 6.651 7.335 1.00 0.00 O ATOM 1259 CB ALA A 64 100.544 7.410 10.289 1.00 0.00 C ATOM 0 H ALA A 64 98.425 6.516 9.418 1.00 0.00 H new ATOM 0 HA ALA A 64 99.696 8.965 9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.464 7.958 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.839 7.569 11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.767 6.346 10.204 1.00 0.00 H new ATOM 1265 N PRO A 65 101.545 8.875 7.402 1.00 0.00 N ATOM 1266 CA PRO A 65 102.478 8.900 6.266 1.00 0.00 C ATOM 1267 C PRO A 65 103.559 7.823 6.353 1.00 0.00 C ATOM 1268 O PRO A 65 104.024 7.316 5.331 1.00 0.00 O ATOM 1269 CB PRO A 65 103.110 10.300 6.328 1.00 0.00 C ATOM 1270 CG PRO A 65 102.663 10.896 7.623 1.00 0.00 C ATOM 1271 CD PRO A 65 101.376 10.213 7.980 1.00 0.00 C ATOM 0 HA PRO A 65 101.958 8.697 5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.197 10.240 6.281 1.00 0.00 H new ATOM 0 HB3 PRO A 65 102.788 10.911 5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.412 10.744 8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.518 11.972 7.526 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.226 10.171 9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.514 10.730 7.558 1.00 0.00 H new ATOM 1279 N ASP A 66 103.943 7.466 7.573 1.00 0.00 N ATOM 1280 CA ASP A 66 104.940 6.423 7.788 1.00 0.00 C ATOM 1281 C ASP A 66 104.463 5.087 7.219 1.00 0.00 C ATOM 1282 O ASP A 66 105.220 4.374 6.560 1.00 0.00 O ATOM 1283 CB ASP A 66 105.249 6.279 9.280 1.00 0.00 C ATOM 1284 CG ASP A 66 106.271 5.196 9.557 1.00 0.00 C ATOM 1285 OD1 ASP A 66 107.439 5.351 9.140 1.00 0.00 O ATOM 1286 OD2 ASP A 66 105.917 4.190 10.203 1.00 0.00 O ATOM 0 H ASP A 66 103.579 7.884 8.429 1.00 0.00 H new ATOM 0 HA ASP A 66 105.851 6.714 7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 66 105.618 7.230 9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 66 104.329 6.052 9.818 1.00 0.00 H new ATOM 1291 N TYR A 67 103.194 4.768 7.448 1.00 0.00 N ATOM 1292 CA TYR A 67 102.618 3.524 6.947 1.00 0.00 C ATOM 1293 C TYR A 67 102.260 3.657 5.471 1.00 0.00 C ATOM 1294 O TYR A 67 102.250 2.672 4.734 1.00 0.00 O ATOM 1295 CB TYR A 67 101.377 3.137 7.755 1.00 0.00 C ATOM 1296 CG TYR A 67 101.668 2.799 9.201 1.00 0.00 C ATOM 1297 CD1 TYR A 67 102.306 1.614 9.540 1.00 0.00 C ATOM 1298 CD2 TYR A 67 101.302 3.663 10.226 1.00 0.00 C ATOM 1299 CE1 TYR A 67 102.570 1.297 10.858 1.00 0.00 C ATOM 1300 CE2 TYR A 67 101.562 3.352 11.547 1.00 0.00 C ATOM 1301 CZ TYR A 67 102.196 2.167 11.858 1.00 0.00 C ATOM 1302 OH TYR A 67 102.450 1.849 13.173 1.00 0.00 O ATOM 0 H TYR A 67 102.545 5.352 7.976 1.00 0.00 H new ATOM 0 HA TYR A 67 103.364 2.737 7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.662 3.959 7.721 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.899 2.280 7.281 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.601 0.928 8.760 1.00 0.00 H new ATOM 0 HD2 TYR A 67 100.807 4.592 9.986 1.00 0.00 H new ATOM 0 HE1 TYR A 67 103.068 0.371 11.104 1.00 0.00 H new ATOM 0 HE2 TYR A 67 101.270 4.034 12.332 1.00 0.00 H new ATOM 0 HH TYR A 67 102.124 2.569 13.752 1.00 0.00 H new ATOM 1312 N VAL A 68 101.982 4.886 5.047 1.00 0.00 N ATOM 1313 CA VAL A 68 101.661 5.175 3.651 1.00 0.00 C ATOM 1314 C VAL A 68 102.799 4.742 2.727 1.00 0.00 C ATOM 1315 O VAL A 68 102.567 4.333 1.591 1.00 0.00 O ATOM 1316 CB VAL A 68 101.368 6.681 3.445 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.197 7.019 1.972 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.128 7.086 4.222 1.00 0.00 C ATOM 0 H VAL A 68 101.972 5.705 5.655 1.00 0.00 H new ATOM 0 HA VAL A 68 100.766 4.607 3.399 1.00 0.00 H new ATOM 0 HB VAL A 68 102.225 7.241 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 68 100.993 8.084 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.111 6.769 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.365 6.447 1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 68 99.933 8.147 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.274 6.506 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.286 6.896 5.284 1.00 0.00 H new ATOM 1328 N SER A 69 104.024 4.799 3.236 1.00 0.00 N ATOM 1329 CA SER A 69 105.199 4.418 2.465 1.00 0.00 C ATOM 1330 C SER A 69 105.148 2.941 2.055 1.00 0.00 C ATOM 1331 O SER A 69 105.841 2.525 1.126 1.00 0.00 O ATOM 1332 CB SER A 69 106.469 4.697 3.274 1.00 0.00 C ATOM 1333 OG SER A 69 107.636 4.414 2.520 1.00 0.00 O ATOM 0 H SER A 69 104.229 5.108 4.186 1.00 0.00 H new ATOM 0 HA SER A 69 105.212 5.016 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.481 5.741 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.465 4.092 4.181 1.00 0.00 H new ATOM 0 HG SER A 69 108.430 4.603 3.063 1.00 0.00 H new ATOM 1339 N LEU A 70 104.330 2.153 2.748 1.00 0.00 N ATOM 1340 CA LEU A 70 104.200 0.733 2.440 1.00 0.00 C ATOM 1341 C LEU A 70 102.863 0.444 1.762 1.00 0.00 C ATOM 1342 O LEU A 70 102.656 -0.632 1.204 1.00 0.00 O ATOM 1343 CB LEU A 70 104.326 -0.103 3.718 1.00 0.00 C ATOM 1344 CG LEU A 70 105.636 0.076 4.493 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.636 -0.789 5.744 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.831 -0.260 3.613 1.00 0.00 C ATOM 0 H LEU A 70 103.750 2.473 3.523 1.00 0.00 H new ATOM 0 HA LEU A 70 105.003 0.461 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.496 0.146 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.220 -1.156 3.456 1.00 0.00 H new ATOM 0 HG LEU A 70 105.716 1.120 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.573 -0.650 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.803 -0.501 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 70 105.532 -1.837 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.751 -0.126 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 70 106.758 -1.295 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.842 0.401 2.746 1.00 0.00 H new ATOM 1358 N LEU A 71 101.961 1.416 1.802 1.00 0.00 N ATOM 1359 CA LEU A 71 100.619 1.245 1.254 1.00 0.00 C ATOM 1360 C LEU A 71 100.445 2.075 -0.011 1.00 0.00 C ATOM 1361 O LEU A 71 99.320 2.283 -0.472 1.00 0.00 O ATOM 1362 CB LEU A 71 99.570 1.659 2.290 1.00 0.00 C ATOM 1363 CG LEU A 71 99.600 0.874 3.602 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.535 1.389 4.557 1.00 0.00 C ATOM 1365 CD2 LEU A 71 99.405 -0.610 3.341 1.00 0.00 C ATOM 0 H LEU A 71 102.134 2.335 2.210 1.00 0.00 H new ATOM 0 HA LEU A 71 100.483 0.193 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.704 2.717 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.581 1.551 1.844 1.00 0.00 H new ATOM 0 HG LEU A 71 100.577 1.017 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.572 0.818 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.717 2.442 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.552 1.276 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 71 99.429 -1.152 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 71 98.442 -0.771 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 71 100.203 -0.974 2.694 1.00 0.00 H new ATOM 1377 N ASP A 72 101.572 2.515 -0.566 1.00 0.00 N ATOM 1378 CA ASP A 72 101.596 3.424 -1.716 1.00 0.00 C ATOM 1379 C ASP A 72 100.698 2.952 -2.856 1.00 0.00 C ATOM 1380 O ASP A 72 101.035 2.012 -3.580 1.00 0.00 O ATOM 1381 CB ASP A 72 103.031 3.591 -2.225 1.00 0.00 C ATOM 1382 CG ASP A 72 103.111 4.484 -3.448 1.00 0.00 C ATOM 1383 OD1 ASP A 72 102.753 5.670 -3.339 1.00 0.00 O ATOM 1384 OD2 ASP A 72 103.550 4.008 -4.517 1.00 0.00 O ATOM 0 H ASP A 72 102.499 2.252 -0.232 1.00 0.00 H new ATOM 0 HA ASP A 72 101.208 4.383 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 72 103.649 4.011 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 72 103.444 2.612 -2.466 1.00 0.00 H new ATOM 1389 N GLN A 73 99.542 3.607 -2.979 1.00 0.00 N ATOM 1390 CA GLN A 73 98.590 3.363 -4.064 1.00 0.00 C ATOM 1391 C GLN A 73 98.087 1.920 -4.068 1.00 0.00 C ATOM 1392 O GLN A 73 98.749 1.007 -4.567 1.00 0.00 O ATOM 1393 CB GLN A 73 99.202 3.737 -5.418 1.00 0.00 C ATOM 1394 CG GLN A 73 99.647 5.190 -5.479 1.00 0.00 C ATOM 1395 CD GLN A 73 100.167 5.599 -6.841 1.00 0.00 C ATOM 1396 OE1 GLN A 73 100.698 4.782 -7.596 1.00 0.00 O ATOM 1397 NE2 GLN A 73 100.033 6.876 -7.159 1.00 0.00 N ATOM 0 H GLN A 73 99.238 4.327 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 73 97.725 4.003 -3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.057 3.091 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 73 98.472 3.551 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 73 98.808 5.832 -5.210 1.00 0.00 H new ATOM 0 HG3 GLN A 73 100.426 5.356 -4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 73 99.587 7.520 -6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 73 100.375 7.216 -8.058 1.00 0.00 H new ATOM 1406 N THR A 74 96.909 1.724 -3.498 1.00 0.00 N ATOM 1407 CA THR A 74 96.318 0.402 -3.397 1.00 0.00 C ATOM 1408 C THR A 74 94.829 0.458 -3.746 1.00 0.00 C ATOM 1409 O THR A 74 94.112 1.349 -3.286 1.00 0.00 O ATOM 1410 CB THR A 74 96.486 -0.169 -1.972 1.00 0.00 C ATOM 1411 OG1 THR A 74 97.842 -0.004 -1.530 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.120 -1.646 -1.931 1.00 0.00 C ATOM 0 H THR A 74 96.341 2.470 -3.096 1.00 0.00 H new ATOM 0 HA THR A 74 96.834 -0.250 -4.102 1.00 0.00 H new ATOM 0 HB THR A 74 95.815 0.378 -1.310 1.00 0.00 H new ATOM 0 HG1 THR A 74 97.972 0.913 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.247 -2.024 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.082 -1.772 -2.238 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.769 -2.201 -2.609 1.00 0.00 H new ATOM 1420 N THR A 75 94.377 -0.471 -4.577 1.00 0.00 N ATOM 1421 CA THR A 75 92.966 -0.563 -4.919 1.00 0.00 C ATOM 1422 C THR A 75 92.312 -1.698 -4.131 1.00 0.00 C ATOM 1423 O THR A 75 92.750 -2.847 -4.209 1.00 0.00 O ATOM 1424 CB THR A 75 92.780 -0.802 -6.430 1.00 0.00 C ATOM 1425 OG1 THR A 75 93.589 0.126 -7.169 1.00 0.00 O ATOM 1426 CG2 THR A 75 91.322 -0.640 -6.836 1.00 0.00 C ATOM 0 H THR A 75 94.967 -1.171 -5.026 1.00 0.00 H new ATOM 0 HA THR A 75 92.489 0.382 -4.659 1.00 0.00 H new ATOM 0 HB THR A 75 93.088 -1.823 -6.654 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.470 -0.029 -8.129 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.221 -0.814 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 75 90.711 -1.360 -6.292 1.00 0.00 H new ATOM 0 HG23 THR A 75 90.989 0.371 -6.600 1.00 0.00 H new ATOM 1434 N LEU A 76 91.282 -1.372 -3.366 1.00 0.00 N ATOM 1435 CA LEU A 76 90.639 -2.346 -2.494 1.00 0.00 C ATOM 1436 C LEU A 76 89.333 -2.855 -3.094 1.00 0.00 C ATOM 1437 O LEU A 76 88.459 -2.072 -3.474 1.00 0.00 O ATOM 1438 CB LEU A 76 90.376 -1.736 -1.113 1.00 0.00 C ATOM 1439 CG LEU A 76 89.708 -2.674 -0.101 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.578 -3.894 0.160 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.422 -1.937 1.199 1.00 0.00 C ATOM 0 H LEU A 76 90.872 -0.439 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 76 91.317 -3.193 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.324 -1.395 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 76 89.747 -0.854 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 76 88.762 -3.013 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.084 -4.545 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.733 -4.437 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.541 -3.575 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.948 -2.617 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.357 -1.568 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.756 -1.097 1.002 1.00 0.00 H new ATOM 1453 N ASP A 77 89.220 -4.172 -3.167 1.00 0.00 N ATOM 1454 CA ASP A 77 88.015 -4.833 -3.644 1.00 0.00 C ATOM 1455 C ASP A 77 87.825 -6.125 -2.859 1.00 0.00 C ATOM 1456 O ASP A 77 88.782 -6.636 -2.283 1.00 0.00 O ATOM 1457 CB ASP A 77 88.132 -5.127 -5.144 1.00 0.00 C ATOM 1458 CG ASP A 77 86.865 -5.714 -5.730 1.00 0.00 C ATOM 1459 OD1 ASP A 77 85.765 -5.268 -5.346 1.00 0.00 O ATOM 1460 OD2 ASP A 77 86.965 -6.609 -6.597 1.00 0.00 O ATOM 0 H ASP A 77 89.964 -4.815 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 77 87.152 -4.185 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.377 -4.205 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.958 -5.819 -5.310 1.00 0.00 H new ATOM 1465 N TYR A 78 86.611 -6.649 -2.803 1.00 0.00 N ATOM 1466 CA TYR A 78 86.380 -7.873 -2.050 1.00 0.00 C ATOM 1467 C TYR A 78 85.640 -8.906 -2.890 1.00 0.00 C ATOM 1468 O TYR A 78 84.657 -8.596 -3.566 1.00 0.00 O ATOM 1469 CB TYR A 78 85.635 -7.591 -0.734 1.00 0.00 C ATOM 1470 CG TYR A 78 84.142 -7.366 -0.868 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.633 -6.201 -1.429 1.00 0.00 C ATOM 1472 CD2 TYR A 78 83.241 -8.325 -0.421 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.270 -6.002 -1.542 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.879 -8.132 -0.529 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.399 -6.970 -1.089 1.00 0.00 C ATOM 1476 OH TYR A 78 80.041 -6.771 -1.193 1.00 0.00 O ATOM 0 H TYR A 78 85.787 -6.257 -3.258 1.00 0.00 H new ATOM 0 HA TYR A 78 87.355 -8.289 -1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.800 -8.429 -0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 78 86.078 -6.711 -0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.313 -5.440 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.614 -9.238 0.019 1.00 0.00 H new ATOM 0 HE1 TYR A 78 81.889 -5.093 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 78 81.194 -8.888 -0.176 1.00 0.00 H new ATOM 0 HH TYR A 78 79.644 -6.752 -0.297 1.00 0.00 H new ATOM 1486 N VAL A 79 86.141 -10.128 -2.853 1.00 0.00 N ATOM 1487 CA VAL A 79 85.535 -11.242 -3.568 1.00 0.00 C ATOM 1488 C VAL A 79 85.534 -12.471 -2.678 1.00 0.00 C ATOM 1489 O VAL A 79 86.376 -12.595 -1.787 1.00 0.00 O ATOM 1490 CB VAL A 79 86.292 -11.582 -4.874 1.00 0.00 C ATOM 1491 CG1 VAL A 79 86.236 -10.426 -5.858 1.00 0.00 C ATOM 1492 CG2 VAL A 79 87.737 -11.963 -4.575 1.00 0.00 C ATOM 0 H VAL A 79 86.979 -10.378 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 79 84.519 -10.945 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 79 85.798 -12.438 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 79 86.776 -10.694 -6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 79 85.197 -10.209 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 79 86.694 -9.544 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 79 88.251 -12.198 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.239 -11.129 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 79 87.756 -12.834 -3.920 1.00 0.00 H new ATOM 1502 N GLU A 80 84.602 -13.375 -2.897 1.00 0.00 N ATOM 1503 CA GLU A 80 84.591 -14.608 -2.139 1.00 0.00 C ATOM 1504 C GLU A 80 85.437 -15.666 -2.839 1.00 0.00 C ATOM 1505 O GLU A 80 84.959 -16.406 -3.698 1.00 0.00 O ATOM 1506 CB GLU A 80 83.160 -15.100 -1.885 1.00 0.00 C ATOM 1507 CG GLU A 80 82.302 -15.224 -3.129 1.00 0.00 C ATOM 1508 CD GLU A 80 80.903 -15.701 -2.812 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.754 -16.840 -2.318 1.00 0.00 O ATOM 1510 OE2 GLU A 80 79.943 -14.949 -3.068 1.00 0.00 O ATOM 0 H GLU A 80 83.853 -13.282 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 80 85.034 -14.414 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 80 83.206 -16.072 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.673 -14.415 -1.191 1.00 0.00 H new ATOM 0 HG2 GLU A 80 82.250 -14.257 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.772 -15.919 -3.825 1.00 0.00 H new ATOM 1517 N LEU A 81 86.722 -15.689 -2.497 1.00 0.00 N ATOM 1518 CA LEU A 81 87.647 -16.683 -3.033 1.00 0.00 C ATOM 1519 C LEU A 81 87.176 -18.081 -2.665 1.00 0.00 C ATOM 1520 O LEU A 81 87.348 -19.035 -3.419 1.00 0.00 O ATOM 1521 CB LEU A 81 89.057 -16.445 -2.487 1.00 0.00 C ATOM 1522 CG LEU A 81 89.688 -15.107 -2.876 1.00 0.00 C ATOM 1523 CD1 LEU A 81 91.013 -14.917 -2.155 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.888 -15.033 -4.383 1.00 0.00 C ATOM 0 H LEU A 81 87.148 -15.027 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 81 87.672 -16.590 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 81 89.024 -16.511 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.705 -17.249 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 81 89.013 -14.305 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.450 -13.960 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.846 -14.931 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.694 -15.723 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.338 -14.075 -4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.545 -15.842 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.924 -15.129 -4.883 1.00 0.00 H new ATOM 1536 N GLU A 82 86.573 -18.176 -1.494 1.00 0.00 N ATOM 1537 CA GLU A 82 85.987 -19.414 -1.026 1.00 0.00 C ATOM 1538 C GLU A 82 84.473 -19.268 -1.047 1.00 0.00 C ATOM 1539 O GLU A 82 83.956 -18.205 -0.703 1.00 0.00 O ATOM 1540 CB GLU A 82 86.469 -19.716 0.392 1.00 0.00 C ATOM 1541 CG GLU A 82 87.977 -19.631 0.549 1.00 0.00 C ATOM 1542 CD GLU A 82 88.409 -19.691 1.995 1.00 0.00 C ATOM 1543 OE1 GLU A 82 88.182 -18.706 2.727 1.00 0.00 O ATOM 1544 OE2 GLU A 82 88.980 -20.717 2.407 1.00 0.00 O ATOM 0 H GLU A 82 86.477 -17.397 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 82 86.288 -20.238 -1.673 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.999 -19.017 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 82 86.138 -20.715 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 82 88.444 -20.448 -0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.334 -18.702 0.104 1.00 0.00 H new ATOM 1551 N PRO A 83 83.748 -20.312 -1.465 1.00 0.00 N ATOM 1552 CA PRO A 83 82.286 -20.273 -1.569 1.00 0.00 C ATOM 1553 C PRO A 83 81.619 -19.848 -0.264 1.00 0.00 C ATOM 1554 O PRO A 83 81.579 -20.612 0.704 1.00 0.00 O ATOM 1555 CB PRO A 83 81.900 -21.715 -1.923 1.00 0.00 C ATOM 1556 CG PRO A 83 83.123 -22.532 -1.663 1.00 0.00 C ATOM 1557 CD PRO A 83 84.288 -21.613 -1.874 1.00 0.00 C ATOM 0 HA PRO A 83 81.958 -19.542 -2.308 1.00 0.00 H new ATOM 0 HB2 PRO A 83 81.063 -22.058 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 83 81.590 -21.794 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 83 83.118 -22.929 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 83 83.172 -23.386 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 83 85.148 -21.903 -1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.616 -21.607 -2.913 1.00 0.00 H new ATOM 1565 N GLY A 84 81.123 -18.617 -0.233 1.00 0.00 N ATOM 1566 CA GLY A 84 80.433 -18.123 0.939 1.00 0.00 C ATOM 1567 C GLY A 84 81.316 -17.272 1.832 1.00 0.00 C ATOM 1568 O GLY A 84 80.819 -16.563 2.712 1.00 0.00 O ATOM 0 H GLY A 84 81.188 -17.951 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 84 79.570 -17.536 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 84 80.052 -18.968 1.513 1.00 0.00 H new ATOM 1572 N GLN A 85 82.620 -17.324 1.603 1.00 0.00 N ATOM 1573 CA GLN A 85 83.569 -16.607 2.443 1.00 0.00 C ATOM 1574 C GLN A 85 84.303 -15.544 1.636 1.00 0.00 C ATOM 1575 O GLN A 85 85.180 -15.848 0.824 1.00 0.00 O ATOM 1576 CB GLN A 85 84.562 -17.585 3.080 1.00 0.00 C ATOM 1577 CG GLN A 85 85.562 -16.934 4.028 1.00 0.00 C ATOM 1578 CD GLN A 85 84.894 -16.120 5.118 1.00 0.00 C ATOM 1579 OE1 GLN A 85 84.528 -16.649 6.167 1.00 0.00 O ATOM 1580 NE2 GLN A 85 84.764 -14.820 4.892 1.00 0.00 N ATOM 0 H GLN A 85 83.045 -17.855 0.843 1.00 0.00 H new ATOM 0 HA GLN A 85 83.018 -16.108 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 85 84.005 -18.347 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 85 85.109 -18.096 2.288 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.179 -17.708 4.485 1.00 0.00 H new ATOM 0 HG3 GLN A 85 86.230 -16.289 3.457 1.00 0.00 H new ATOM 0 HE21 GLN A 85 85.081 -14.422 4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 85 84.347 -14.218 5.602 1.00 0.00 H new ATOM 1589 N PHE A 86 83.931 -14.293 1.865 1.00 0.00 N ATOM 1590 CA PHE A 86 84.528 -13.171 1.160 1.00 0.00 C ATOM 1591 C PHE A 86 85.909 -12.855 1.717 1.00 0.00 C ATOM 1592 O PHE A 86 86.179 -13.079 2.897 1.00 0.00 O ATOM 1593 CB PHE A 86 83.634 -11.933 1.276 1.00 0.00 C ATOM 1594 CG PHE A 86 82.246 -12.131 0.730 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.978 -11.907 -0.611 1.00 0.00 C ATOM 1596 CD2 PHE A 86 81.213 -12.540 1.558 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.704 -12.088 -1.115 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.938 -12.723 1.059 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.683 -12.497 -0.280 1.00 0.00 C ATOM 0 H PHE A 86 83.213 -14.030 2.539 1.00 0.00 H new ATOM 0 HA PHE A 86 84.627 -13.447 0.110 1.00 0.00 H new ATOM 0 HB2 PHE A 86 83.564 -11.644 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 86 84.107 -11.105 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.773 -11.588 -1.269 1.00 0.00 H new ATOM 0 HD2 PHE A 86 81.407 -12.718 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.507 -11.910 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 86 79.141 -13.042 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.687 -12.640 -0.673 1.00 0.00 H new ATOM 1609 N HIS A 87 86.783 -12.368 0.853 1.00 0.00 N ATOM 1610 CA HIS A 87 88.108 -11.913 1.249 1.00 0.00 C ATOM 1611 C HIS A 87 88.401 -10.581 0.579 1.00 0.00 C ATOM 1612 O HIS A 87 88.006 -10.360 -0.568 1.00 0.00 O ATOM 1613 CB HIS A 87 89.194 -12.927 0.854 1.00 0.00 C ATOM 1614 CG HIS A 87 89.168 -14.204 1.636 1.00 0.00 C ATOM 1615 ND1 HIS A 87 90.040 -14.474 2.670 1.00 0.00 N ATOM 1616 CD2 HIS A 87 88.379 -15.297 1.519 1.00 0.00 C ATOM 1617 CE1 HIS A 87 89.784 -15.673 3.157 1.00 0.00 C ATOM 1618 NE2 HIS A 87 88.781 -16.193 2.477 1.00 0.00 N ATOM 0 H HIS A 87 86.595 -12.276 -0.145 1.00 0.00 H new ATOM 0 HA HIS A 87 88.120 -11.806 2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 87 89.085 -13.162 -0.205 1.00 0.00 H new ATOM 0 HB3 HIS A 87 90.171 -12.460 0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 87 87.581 -15.438 0.805 1.00 0.00 H new ATOM 0 HE1 HIS A 87 90.307 -16.148 3.974 1.00 0.00 H new ATOM 0 HE2 HIS A 87 88.370 -17.113 2.637 1.00 0.00 H new ATOM 1627 N PHE A 88 89.077 -9.698 1.291 1.00 0.00 N ATOM 1628 CA PHE A 88 89.461 -8.414 0.732 1.00 0.00 C ATOM 1629 C PHE A 88 90.776 -8.558 -0.015 1.00 0.00 C ATOM 1630 O PHE A 88 91.780 -8.986 0.556 1.00 0.00 O ATOM 1631 CB PHE A 88 89.585 -7.353 1.828 1.00 0.00 C ATOM 1632 CG PHE A 88 88.272 -6.976 2.451 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.789 -7.660 3.555 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.520 -5.934 1.931 1.00 0.00 C ATOM 1635 CE1 PHE A 88 86.581 -7.313 4.129 1.00 0.00 C ATOM 1636 CE2 PHE A 88 86.311 -5.583 2.500 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.840 -6.273 3.600 1.00 0.00 C ATOM 0 H PHE A 88 89.371 -9.846 2.256 1.00 0.00 H new ATOM 0 HA PHE A 88 88.685 -8.089 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 88 90.254 -7.722 2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 88 90.048 -6.460 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 88 88.364 -8.474 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.883 -5.390 1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 88 86.216 -7.854 4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.734 -4.770 2.085 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.895 -6.000 4.046 1.00 0.00 H new ATOM 1647 N ILE A 89 90.761 -8.218 -1.292 1.00 0.00 N ATOM 1648 CA ILE A 89 91.945 -8.336 -2.120 1.00 0.00 C ATOM 1649 C ILE A 89 92.500 -6.957 -2.444 1.00 0.00 C ATOM 1650 O ILE A 89 91.749 -5.997 -2.634 1.00 0.00 O ATOM 1651 CB ILE A 89 91.665 -9.107 -3.432 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.560 -8.421 -4.247 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.289 -10.550 -3.124 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.299 -9.071 -5.590 1.00 0.00 C ATOM 0 H ILE A 89 89.940 -7.857 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 89 92.680 -8.905 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 89 92.574 -9.104 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.637 -8.425 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 89 90.833 -7.378 -4.405 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.094 -11.082 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.109 -11.034 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.394 -10.568 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 89 89.506 -8.531 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.208 -9.043 -6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 89 89.995 -10.107 -5.440 1.00 0.00 H new ATOM 1666 N PHE A 90 93.814 -6.863 -2.487 1.00 0.00 N ATOM 1667 CA PHE A 90 94.474 -5.601 -2.749 1.00 0.00 C ATOM 1668 C PHE A 90 95.088 -5.612 -4.137 1.00 0.00 C ATOM 1669 O PHE A 90 96.060 -6.319 -4.391 1.00 0.00 O ATOM 1670 CB PHE A 90 95.544 -5.332 -1.688 1.00 0.00 C ATOM 1671 CG PHE A 90 94.998 -5.279 -0.289 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.464 -4.104 0.216 1.00 0.00 C ATOM 1673 CD2 PHE A 90 95.012 -6.405 0.518 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.956 -4.055 1.500 1.00 0.00 C ATOM 1675 CE2 PHE A 90 94.504 -6.362 1.802 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.974 -5.184 2.294 1.00 0.00 C ATOM 0 H PHE A 90 94.447 -7.649 -2.343 1.00 0.00 H new ATOM 0 HA PHE A 90 93.736 -4.800 -2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.304 -6.111 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.039 -4.387 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.445 -3.217 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 90 95.425 -7.328 0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.545 -3.133 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 90 94.521 -7.247 2.420 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.575 -5.147 3.297 1.00 0.00 H new ATOM 1686 N LEU A 91 94.496 -4.851 -5.040 1.00 0.00 N ATOM 1687 CA LEU A 91 95.010 -4.746 -6.391 1.00 0.00 C ATOM 1688 C LEU A 91 96.087 -3.679 -6.443 1.00 0.00 C ATOM 1689 O LEU A 91 95.802 -2.480 -6.516 1.00 0.00 O ATOM 1690 CB LEU A 91 93.884 -4.439 -7.376 1.00 0.00 C ATOM 1691 CG LEU A 91 92.800 -5.511 -7.451 1.00 0.00 C ATOM 1692 CD1 LEU A 91 91.618 -5.023 -8.274 1.00 0.00 C ATOM 1693 CD2 LEU A 91 93.359 -6.799 -8.036 1.00 0.00 C ATOM 0 H LEU A 91 93.659 -4.297 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 91 95.448 -5.701 -6.681 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.422 -3.492 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 91 94.313 -4.304 -8.369 1.00 0.00 H new ATOM 0 HG LEU A 91 92.453 -5.715 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 91 90.857 -5.802 -8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 91 91.198 -4.129 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 91 91.951 -4.788 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.571 -7.550 -8.081 1.00 0.00 H new ATOM 0 HD22 LEU A 91 93.737 -6.609 -9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.171 -7.162 -7.406 1.00 0.00 H new ATOM 1705 N ASN A 92 97.320 -4.130 -6.349 1.00 0.00 N ATOM 1706 CA ASN A 92 98.472 -3.245 -6.320 1.00 0.00 C ATOM 1707 C ASN A 92 99.649 -3.888 -7.048 1.00 0.00 C ATOM 1708 O ASN A 92 99.683 -5.104 -7.226 1.00 0.00 O ATOM 1709 CB ASN A 92 98.849 -2.923 -4.864 1.00 0.00 C ATOM 1710 CG ASN A 92 99.306 -4.144 -4.077 1.00 0.00 C ATOM 1711 OD1 ASN A 92 98.932 -5.273 -4.373 1.00 0.00 O ATOM 1712 ND2 ASN A 92 100.110 -3.918 -3.055 1.00 0.00 N ATOM 0 H ASN A 92 97.555 -5.121 -6.290 1.00 0.00 H new ATOM 0 HA ASN A 92 98.219 -2.315 -6.829 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.644 -2.177 -4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 92 97.990 -2.477 -4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 92 100.440 -4.696 -2.484 1.00 0.00 H new ATOM 0 HD22 ASN A 92 100.402 -2.965 -2.837 1.00 0.00 H new