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 40 TYR OH : rot 32:sc= 1.53 USER MOD Set 1.2: A 92 ASN : amide:sc= 0.721 K(o=2.2,f=-2.8!) USER MOD Single : A 0 MET CE :methyl -131:sc= -1.96 (180deg=-3.19) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.121 (180deg=-0.678) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= -0.144 (180deg=-0.531) USER MOD Single : A 5 THR OG1 : rot 169:sc= 1.22 USER MOD Single : A 11 GLN : amide:sc= 0.11 K(o=0.11,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.18) USER MOD Single : A 18 GLN : amide:sc= -1.8! K(o=-1.8!,f=-0.81) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 24 MET CE :methyl -122:sc= -1.95 (180deg=-2.69!) USER MOD Single : A 25 CYS SG : rot 3:sc= -0.909 USER MOD Single : A 33 ASN : amide:sc= 0.768 K(o=0.77,f=-3.7!) USER MOD Single : A 37 SER OG : rot -35:sc= 0.199 USER MOD Single : A 42 MET CE :methyl -164:sc= -0.188 (180deg=-0.756) USER MOD Single : A 48 THR OG1 : rot -18:sc= 0.581 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.336 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=-0.37) USER MOD Single : A 74 THR OG1 : rot -120:sc= 1.22 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.4!) USER MOD Single : A 87 HIS : no HD1:sc= 0.975 K(o=0.98,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 97.665 10.542 -1.126 1.00 0.00 N ATOM 296 CA MET A 0 97.878 9.126 -0.876 1.00 0.00 C ATOM 297 C MET A 0 97.151 8.295 -1.927 1.00 0.00 C ATOM 298 O MET A 0 95.926 8.358 -2.042 1.00 0.00 O ATOM 299 CB MET A 0 97.393 8.751 0.525 1.00 0.00 C ATOM 300 CG MET A 0 98.441 8.040 1.366 1.00 0.00 C ATOM 301 SD MET A 0 99.042 6.520 0.605 1.00 0.00 S ATOM 302 CE MET A 0 97.550 5.530 0.576 1.00 0.00 C ATOM 0 H1 MET A 0 98.164 11.101 -0.405 1.00 0.00 H new ATOM 0 H2 MET A 0 98.031 10.787 -2.068 1.00 0.00 H new ATOM 0 H3 MET A 0 96.647 10.753 -1.084 1.00 0.00 H new ATOM 0 HA MET A 0 98.946 8.917 -0.938 1.00 0.00 H new ATOM 0 HB2 MET A 0 97.076 9.656 1.044 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.516 8.110 0.436 1.00 0.00 H new ATOM 0 HG2 MET A 0 99.282 8.713 1.534 1.00 0.00 H new ATOM 0 HG3 MET A 0 98.018 7.808 2.344 1.00 0.00 H new ATOM 0 HE1 MET A 0 97.761 4.541 0.983 1.00 0.00 H new ATOM 0 HE2 MET A 0 96.781 6.014 1.178 1.00 0.00 H new ATOM 0 HE3 MET A 0 97.198 5.432 -0.451 1.00 0.00 H new ATOM 312 N MET A 1 97.909 7.530 -2.696 1.00 0.00 N ATOM 313 CA MET A 1 97.345 6.734 -3.779 1.00 0.00 C ATOM 314 C MET A 1 96.705 5.454 -3.249 1.00 0.00 C ATOM 315 O MET A 1 97.358 4.418 -3.148 1.00 0.00 O ATOM 316 CB MET A 1 98.424 6.392 -4.809 1.00 0.00 C ATOM 317 CG MET A 1 99.004 7.603 -5.522 1.00 0.00 C ATOM 318 SD MET A 1 97.788 8.466 -6.535 1.00 0.00 S ATOM 319 CE MET A 1 97.376 7.197 -7.729 1.00 0.00 C ATOM 0 H MET A 1 98.920 7.442 -2.591 1.00 0.00 H new ATOM 0 HA MET A 1 96.569 7.329 -4.260 1.00 0.00 H new ATOM 0 HB2 MET A 1 99.231 5.856 -4.310 1.00 0.00 H new ATOM 0 HB3 MET A 1 98.002 5.714 -5.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 99.411 8.294 -4.783 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.835 7.285 -6.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 96.929 7.658 -8.610 1.00 0.00 H new ATOM 0 HE2 MET A 1 98.281 6.662 -8.019 1.00 0.00 H new ATOM 0 HE3 MET A 1 96.667 6.497 -7.286 1.00 0.00 H new ATOM 329 N PHE A 2 95.434 5.540 -2.895 1.00 0.00 N ATOM 330 CA PHE A 2 94.683 4.383 -2.430 1.00 0.00 C ATOM 331 C PHE A 2 93.343 4.326 -3.152 1.00 0.00 C ATOM 332 O PHE A 2 92.502 5.208 -2.980 1.00 0.00 O ATOM 333 CB PHE A 2 94.468 4.460 -0.914 1.00 0.00 C ATOM 334 CG PHE A 2 93.841 3.230 -0.311 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.628 2.154 0.069 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.471 3.154 -0.115 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.060 1.027 0.634 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.898 2.028 0.449 1.00 0.00 C ATOM 339 CZ PHE A 2 92.694 0.964 0.823 1.00 0.00 C ATOM 0 H PHE A 2 94.896 6.406 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 2 95.248 3.477 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.429 4.637 -0.432 1.00 0.00 H new ATOM 0 HB3 PHE A 2 93.837 5.321 -0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.697 2.196 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 2 91.843 3.983 -0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.685 0.196 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.829 1.982 0.596 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.249 0.084 1.263 1.00 0.00 H new ATOM 349 N LYS A 3 93.160 3.311 -3.981 1.00 0.00 N ATOM 350 CA LYS A 3 91.922 3.170 -4.732 1.00 0.00 C ATOM 351 C LYS A 3 91.015 2.143 -4.076 1.00 0.00 C ATOM 352 O LYS A 3 91.479 1.114 -3.587 1.00 0.00 O ATOM 353 CB LYS A 3 92.208 2.782 -6.184 1.00 0.00 C ATOM 354 CG LYS A 3 93.041 3.815 -6.921 1.00 0.00 C ATOM 355 CD LYS A 3 93.097 3.542 -8.414 1.00 0.00 C ATOM 356 CE LYS A 3 93.882 4.621 -9.142 1.00 0.00 C ATOM 357 NZ LYS A 3 93.348 5.981 -8.862 1.00 0.00 N ATOM 0 H LYS A 3 93.848 2.577 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 3 91.412 4.133 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.728 1.824 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 3 91.263 2.643 -6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 3 92.623 4.807 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 3 94.053 3.821 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.559 2.571 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 3 92.085 3.492 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 3 94.929 4.573 -8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 3 93.849 4.432 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 93.704 6.648 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 92.309 5.960 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 93.657 6.288 -7.918 1.00 0.00 H new ATOM 371 N LEU A 4 89.724 2.426 -4.071 1.00 0.00 N ATOM 372 CA LEU A 4 88.756 1.578 -3.396 1.00 0.00 C ATOM 373 C LEU A 4 87.505 1.447 -4.261 1.00 0.00 C ATOM 374 O LEU A 4 87.021 2.435 -4.806 1.00 0.00 O ATOM 375 CB LEU A 4 88.405 2.196 -2.035 1.00 0.00 C ATOM 376 CG LEU A 4 88.206 1.213 -0.876 1.00 0.00 C ATOM 377 CD1 LEU A 4 88.017 1.969 0.430 1.00 0.00 C ATOM 378 CD2 LEU A 4 87.018 0.300 -1.127 1.00 0.00 C ATOM 0 H LEU A 4 89.320 3.242 -4.530 1.00 0.00 H new ATOM 0 HA LEU A 4 89.177 0.585 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.197 2.893 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.492 2.780 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 4 89.100 0.594 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.877 1.259 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.898 2.579 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.140 2.612 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.902 -0.386 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.114 0.900 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 4 87.184 -0.270 -2.041 1.00 0.00 H new ATOM 390 N THR A 5 86.995 0.234 -4.408 1.00 0.00 N ATOM 391 CA THR A 5 85.780 0.022 -5.179 1.00 0.00 C ATOM 392 C THR A 5 84.546 0.366 -4.348 1.00 0.00 C ATOM 393 O THR A 5 84.513 0.118 -3.140 1.00 0.00 O ATOM 394 CB THR A 5 85.675 -1.431 -5.678 1.00 0.00 C ATOM 395 OG1 THR A 5 85.749 -2.340 -4.572 1.00 0.00 O ATOM 396 CG2 THR A 5 86.782 -1.741 -6.673 1.00 0.00 C ATOM 0 H THR A 5 87.400 -0.612 -4.007 1.00 0.00 H new ATOM 0 HA THR A 5 85.827 0.683 -6.045 1.00 0.00 H new ATOM 0 HB THR A 5 84.714 -1.551 -6.178 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.510 -3.242 -4.873 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.688 -2.773 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.702 -1.069 -7.528 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.751 -1.603 -6.194 1.00 0.00 H new ATOM 404 N PRO A 6 83.518 0.958 -4.980 1.00 0.00 N ATOM 405 CA PRO A 6 82.267 1.313 -4.299 1.00 0.00 C ATOM 406 C PRO A 6 81.626 0.108 -3.620 1.00 0.00 C ATOM 407 O PRO A 6 80.989 0.233 -2.574 1.00 0.00 O ATOM 408 CB PRO A 6 81.373 1.828 -5.431 1.00 0.00 C ATOM 409 CG PRO A 6 82.318 2.264 -6.495 1.00 0.00 C ATOM 410 CD PRO A 6 83.501 1.343 -6.401 1.00 0.00 C ATOM 0 HA PRO A 6 82.426 2.043 -3.505 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.704 1.047 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 6 80.747 2.655 -5.095 1.00 0.00 H new ATOM 0 HG2 PRO A 6 81.853 2.203 -7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.619 3.301 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 6 83.388 0.476 -7.051 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.424 1.843 -6.693 1.00 0.00 H new ATOM 418 N ALA A 7 81.813 -1.063 -4.218 1.00 0.00 N ATOM 419 CA ALA A 7 81.280 -2.298 -3.670 1.00 0.00 C ATOM 420 C ALA A 7 81.968 -2.657 -2.359 1.00 0.00 C ATOM 421 O ALA A 7 81.308 -2.997 -1.376 1.00 0.00 O ATOM 422 CB ALA A 7 81.433 -3.428 -4.675 1.00 0.00 C ATOM 0 H ALA A 7 82.333 -1.180 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 7 80.220 -2.149 -3.465 1.00 0.00 H new ATOM 0 HB1 ALA A 7 81.030 -4.348 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 7 80.890 -3.180 -5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.489 -3.568 -4.907 1.00 0.00 H new ATOM 428 N ALA A 8 83.295 -2.574 -2.345 1.00 0.00 N ATOM 429 CA ALA A 8 84.065 -2.902 -1.152 1.00 0.00 C ATOM 430 C ALA A 8 83.818 -1.877 -0.058 1.00 0.00 C ATOM 431 O ALA A 8 83.732 -2.219 1.122 1.00 0.00 O ATOM 432 CB ALA A 8 85.549 -2.991 -1.477 1.00 0.00 C ATOM 0 H ALA A 8 83.857 -2.283 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 8 83.736 -3.876 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 8 86.105 -3.237 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.712 -3.767 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.894 -2.033 -1.866 1.00 0.00 H new ATOM 438 N ALA A 9 83.686 -0.618 -0.464 1.00 0.00 N ATOM 439 CA ALA A 9 83.401 0.465 0.466 1.00 0.00 C ATOM 440 C ALA A 9 82.080 0.225 1.185 1.00 0.00 C ATOM 441 O ALA A 9 81.932 0.568 2.354 1.00 0.00 O ATOM 442 CB ALA A 9 83.374 1.798 -0.266 1.00 0.00 C ATOM 0 H ALA A 9 83.773 -0.323 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 9 84.195 0.494 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.160 2.598 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.343 1.976 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.600 1.776 -1.033 1.00 0.00 H new ATOM 448 N GLU A 10 81.132 -0.383 0.482 1.00 0.00 N ATOM 449 CA GLU A 10 79.826 -0.697 1.051 1.00 0.00 C ATOM 450 C GLU A 10 79.929 -1.761 2.140 1.00 0.00 C ATOM 451 O GLU A 10 79.181 -1.729 3.116 1.00 0.00 O ATOM 452 CB GLU A 10 78.874 -1.155 -0.050 1.00 0.00 C ATOM 453 CG GLU A 10 77.906 -0.078 -0.496 1.00 0.00 C ATOM 454 CD GLU A 10 76.683 0.001 0.392 1.00 0.00 C ATOM 455 OE1 GLU A 10 76.737 0.673 1.441 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.651 -0.608 0.038 1.00 0.00 O ATOM 0 H GLU A 10 81.244 -0.670 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 10 79.433 0.209 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 10 79.457 -1.487 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.309 -2.017 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 10 78.414 0.886 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 10 77.595 -0.275 -1.522 1.00 0.00 H new ATOM 463 N GLN A 11 80.859 -2.696 1.982 1.00 0.00 N ATOM 464 CA GLN A 11 81.062 -3.736 2.983 1.00 0.00 C ATOM 465 C GLN A 11 81.732 -3.137 4.217 1.00 0.00 C ATOM 466 O GLN A 11 81.385 -3.470 5.353 1.00 0.00 O ATOM 467 CB GLN A 11 81.903 -4.882 2.415 1.00 0.00 C ATOM 468 CG GLN A 11 81.990 -6.092 3.337 1.00 0.00 C ATOM 469 CD GLN A 11 82.793 -7.230 2.735 1.00 0.00 C ATOM 470 OE1 GLN A 11 82.848 -7.390 1.521 1.00 0.00 O ATOM 471 NE2 GLN A 11 83.414 -8.036 3.585 1.00 0.00 N ATOM 0 H GLN A 11 81.481 -2.755 1.176 1.00 0.00 H new ATOM 0 HA GLN A 11 80.092 -4.144 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 11 81.479 -5.193 1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.910 -4.517 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 11 82.444 -5.792 4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 11 80.984 -6.443 3.565 1.00 0.00 H new ATOM 0 HE21 GLN A 11 83.344 -7.870 4.589 1.00 0.00 H new ATOM 0 HE22 GLN A 11 83.962 -8.822 3.235 1.00 0.00 H new ATOM 480 N VAL A 12 82.680 -2.234 3.983 1.00 0.00 N ATOM 481 CA VAL A 12 83.327 -1.506 5.068 1.00 0.00 C ATOM 482 C VAL A 12 82.308 -0.613 5.769 1.00 0.00 C ATOM 483 O VAL A 12 82.273 -0.525 6.996 1.00 0.00 O ATOM 484 CB VAL A 12 84.499 -0.640 4.549 1.00 0.00 C ATOM 485 CG1 VAL A 12 85.174 0.105 5.693 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.508 -1.495 3.800 1.00 0.00 C ATOM 0 H VAL A 12 83.017 -1.990 3.052 1.00 0.00 H new ATOM 0 HA VAL A 12 83.728 -2.237 5.770 1.00 0.00 H new ATOM 0 HB VAL A 12 84.092 0.098 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.994 0.706 5.302 1.00 0.00 H new ATOM 0 HG12 VAL A 12 84.449 0.755 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 85.563 -0.613 6.415 1.00 0.00 H new ATOM 0 HG21 VAL A 12 86.324 -0.866 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.904 -2.260 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 12 85.020 -1.973 2.950 1.00 0.00 H new ATOM 496 N LEU A 13 81.466 0.033 4.970 1.00 0.00 N ATOM 497 CA LEU A 13 80.402 0.881 5.487 1.00 0.00 C ATOM 498 C LEU A 13 79.413 0.051 6.300 1.00 0.00 C ATOM 499 O LEU A 13 78.914 0.496 7.329 1.00 0.00 O ATOM 500 CB LEU A 13 79.680 1.579 4.330 1.00 0.00 C ATOM 501 CG LEU A 13 78.712 2.692 4.734 1.00 0.00 C ATOM 502 CD1 LEU A 13 79.459 3.824 5.416 1.00 0.00 C ATOM 503 CD2 LEU A 13 77.960 3.207 3.517 1.00 0.00 C ATOM 0 H LEU A 13 81.502 -0.017 3.952 1.00 0.00 H new ATOM 0 HA LEU A 13 80.840 1.638 6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.429 1.999 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 13 79.128 0.829 3.764 1.00 0.00 H new ATOM 0 HG LEU A 13 77.989 2.283 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 13 78.755 4.607 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 13 79.956 3.446 6.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 80.203 4.233 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 77.275 3.999 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 13 78.670 3.601 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.395 2.391 3.066 1.00 0.00 H new ATOM 515 N LYS A 14 79.153 -1.167 5.833 1.00 0.00 N ATOM 516 CA LYS A 14 78.261 -2.098 6.519 1.00 0.00 C ATOM 517 C LYS A 14 78.784 -2.417 7.918 1.00 0.00 C ATOM 518 O LYS A 14 78.006 -2.595 8.860 1.00 0.00 O ATOM 519 CB LYS A 14 78.119 -3.379 5.692 1.00 0.00 C ATOM 520 CG LYS A 14 77.198 -4.427 6.299 1.00 0.00 C ATOM 521 CD LYS A 14 77.055 -5.622 5.370 1.00 0.00 C ATOM 522 CE LYS A 14 76.235 -6.738 5.998 1.00 0.00 C ATOM 523 NZ LYS A 14 75.992 -7.845 5.037 1.00 0.00 N ATOM 0 H LYS A 14 79.553 -1.536 4.971 1.00 0.00 H new ATOM 0 HA LYS A 14 77.281 -1.633 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.746 -3.117 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 14 79.107 -3.818 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.595 -4.753 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.218 -3.990 6.490 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.582 -5.304 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 14 78.044 -6.000 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.756 -7.124 6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.281 -6.339 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.430 -8.588 5.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.474 -7.481 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.902 -8.241 4.727 1.00 0.00 H new ATOM 537 N ALA A 15 80.106 -2.462 8.052 1.00 0.00 N ATOM 538 CA ALA A 15 80.740 -2.695 9.345 1.00 0.00 C ATOM 539 C ALA A 15 80.458 -1.544 10.308 1.00 0.00 C ATOM 540 O ALA A 15 80.503 -1.712 11.525 1.00 0.00 O ATOM 541 CB ALA A 15 82.240 -2.894 9.178 1.00 0.00 C ATOM 0 H ALA A 15 80.760 -2.340 7.279 1.00 0.00 H new ATOM 0 HA ALA A 15 80.315 -3.604 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.695 -3.066 10.153 1.00 0.00 H new ATOM 0 HB2 ALA A 15 82.423 -3.755 8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.677 -2.004 8.726 1.00 0.00 H new ATOM 547 N ALA A 16 80.163 -0.375 9.757 1.00 0.00 N ATOM 548 CA ALA A 16 79.805 0.781 10.566 1.00 0.00 C ATOM 549 C ALA A 16 78.293 0.846 10.771 1.00 0.00 C ATOM 550 O ALA A 16 77.821 1.272 11.822 1.00 0.00 O ATOM 551 CB ALA A 16 80.312 2.060 9.919 1.00 0.00 C ATOM 0 H ALA A 16 80.165 -0.202 8.752 1.00 0.00 H new ATOM 0 HA ALA A 16 80.278 0.678 11.542 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.036 2.915 10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.397 2.015 9.826 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.867 2.168 8.930 1.00 0.00 H new ATOM 557 N LYS A 17 77.542 0.402 9.764 1.00 0.00 N ATOM 558 CA LYS A 17 76.078 0.411 9.816 1.00 0.00 C ATOM 559 C LYS A 17 75.562 -0.398 10.998 1.00 0.00 C ATOM 560 O LYS A 17 74.571 -0.032 11.630 1.00 0.00 O ATOM 561 CB LYS A 17 75.486 -0.166 8.527 1.00 0.00 C ATOM 562 CG LYS A 17 75.850 0.610 7.277 1.00 0.00 C ATOM 563 CD LYS A 17 75.287 -0.060 6.036 1.00 0.00 C ATOM 564 CE LYS A 17 75.756 0.627 4.766 1.00 0.00 C ATOM 565 NZ LYS A 17 75.282 -0.078 3.548 1.00 0.00 N ATOM 0 H LYS A 17 77.925 0.029 8.896 1.00 0.00 H new ATOM 0 HA LYS A 17 75.767 1.449 9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.824 -1.196 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.400 -0.196 8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 17 75.465 1.627 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 17 76.934 0.685 7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 17 75.591 -1.106 6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.198 -0.045 6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.394 1.655 4.754 1.00 0.00 H new ATOM 0 HE3 LYS A 17 76.845 0.672 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 75.818 0.257 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 75.425 -1.102 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 74.270 0.116 3.406 1.00 0.00 H new ATOM 579 N GLN A 18 76.243 -1.497 11.293 1.00 0.00 N ATOM 580 CA GLN A 18 75.833 -2.386 12.375 1.00 0.00 C ATOM 581 C GLN A 18 76.081 -1.752 13.748 1.00 0.00 C ATOM 582 O GLN A 18 75.581 -2.237 14.763 1.00 0.00 O ATOM 583 CB GLN A 18 76.547 -3.735 12.253 1.00 0.00 C ATOM 584 CG GLN A 18 78.061 -3.634 12.203 1.00 0.00 C ATOM 585 CD GLN A 18 78.720 -4.955 11.860 1.00 0.00 C ATOM 586 OE1 GLN A 18 79.045 -5.751 12.741 1.00 0.00 O ATOM 587 NE2 GLN A 18 78.918 -5.202 10.572 1.00 0.00 N ATOM 0 H GLN A 18 77.083 -1.796 10.798 1.00 0.00 H new ATOM 0 HA GLN A 18 74.760 -2.554 12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 18 76.263 -4.362 13.099 1.00 0.00 H new ATOM 0 HB3 GLN A 18 76.197 -4.239 11.352 1.00 0.00 H new ATOM 0 HG2 GLN A 18 78.348 -2.886 11.464 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.431 -3.287 13.168 1.00 0.00 H new ATOM 0 HE21 GLN A 18 78.635 -4.517 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 18 79.354 -6.077 10.282 1.00 0.00 H new ATOM 596 N GLY A 19 76.841 -0.664 13.774 1.00 0.00 N ATOM 597 CA GLY A 19 77.042 0.068 15.009 1.00 0.00 C ATOM 598 C GLY A 19 78.412 -0.151 15.614 1.00 0.00 C ATOM 599 O GLY A 19 79.204 -0.947 15.111 1.00 0.00 O ATOM 0 H GLY A 19 77.321 -0.276 12.962 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.901 1.132 14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 19 76.281 -0.232 15.730 1.00 0.00 H new ATOM 603 N GLY A 20 78.696 0.582 16.682 1.00 0.00 N ATOM 604 CA GLY A 20 79.937 0.408 17.406 1.00 0.00 C ATOM 605 C GLY A 20 81.034 1.316 16.897 1.00 0.00 C ATOM 606 O GLY A 20 81.513 2.190 17.615 1.00 0.00 O ATOM 0 H GLY A 20 78.081 1.301 17.062 1.00 0.00 H new ATOM 0 HA2 GLY A 20 79.768 0.606 18.464 1.00 0.00 H new ATOM 0 HA3 GLY A 20 80.260 -0.630 17.323 1.00 0.00 H new ATOM 610 N THR A 21 81.413 1.123 15.647 1.00 0.00 N ATOM 611 CA THR A 21 82.515 1.867 15.058 1.00 0.00 C ATOM 612 C THR A 21 82.011 3.019 14.192 1.00 0.00 C ATOM 613 O THR A 21 82.726 3.517 13.324 1.00 0.00 O ATOM 614 CB THR A 21 83.401 0.930 14.217 1.00 0.00 C ATOM 615 OG1 THR A 21 82.580 0.093 13.389 1.00 0.00 O ATOM 616 CG2 THR A 21 84.272 0.063 15.114 1.00 0.00 C ATOM 0 H THR A 21 80.972 0.454 15.016 1.00 0.00 H new ATOM 0 HA THR A 21 83.104 2.288 15.873 1.00 0.00 H new ATOM 0 HB THR A 21 84.048 1.542 13.588 1.00 0.00 H new ATOM 0 HG1 THR A 21 83.150 -0.499 12.855 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.890 -0.591 14.499 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.913 0.700 15.724 1.00 0.00 H new ATOM 0 HG23 THR A 21 83.638 -0.541 15.763 1.00 0.00 H new ATOM 624 N GLU A 22 80.782 3.452 14.461 1.00 0.00 N ATOM 625 CA GLU A 22 80.139 4.506 13.679 1.00 0.00 C ATOM 626 C GLU A 22 80.905 5.823 13.775 1.00 0.00 C ATOM 627 O GLU A 22 81.136 6.493 12.769 1.00 0.00 O ATOM 628 CB GLU A 22 78.701 4.714 14.153 1.00 0.00 C ATOM 629 CG GLU A 22 77.826 3.483 14.005 1.00 0.00 C ATOM 630 CD GLU A 22 76.390 3.734 14.411 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.776 4.682 13.881 1.00 0.00 O ATOM 632 OE2 GLU A 22 75.856 2.973 15.244 1.00 0.00 O ATOM 0 H GLU A 22 80.207 3.086 15.220 1.00 0.00 H new ATOM 0 HA GLU A 22 80.138 4.187 12.637 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.713 5.017 15.200 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.257 5.534 13.589 1.00 0.00 H new ATOM 0 HG2 GLU A 22 77.853 3.146 12.969 1.00 0.00 H new ATOM 0 HG3 GLU A 22 78.235 2.676 14.613 1.00 0.00 H new ATOM 639 N GLY A 23 81.297 6.188 14.987 1.00 0.00 N ATOM 640 CA GLY A 23 82.005 7.438 15.192 1.00 0.00 C ATOM 641 C GLY A 23 83.507 7.255 15.199 1.00 0.00 C ATOM 642 O GLY A 23 84.231 7.984 15.880 1.00 0.00 O ATOM 0 H GLY A 23 81.138 5.642 15.833 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.731 8.141 14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.691 7.880 16.138 1.00 0.00 H new ATOM 646 N MET A 24 83.980 6.277 14.443 1.00 0.00 N ATOM 647 CA MET A 24 85.403 5.996 14.357 1.00 0.00 C ATOM 648 C MET A 24 85.829 5.970 12.897 1.00 0.00 C ATOM 649 O MET A 24 85.149 5.384 12.056 1.00 0.00 O ATOM 650 CB MET A 24 85.729 4.662 15.039 1.00 0.00 C ATOM 651 CG MET A 24 85.277 4.600 16.490 1.00 0.00 C ATOM 652 SD MET A 24 85.671 3.030 17.286 1.00 0.00 S ATOM 653 CE MET A 24 87.458 3.116 17.337 1.00 0.00 C ATOM 0 H MET A 24 83.395 5.662 13.878 1.00 0.00 H new ATOM 0 HA MET A 24 85.954 6.782 14.873 1.00 0.00 H new ATOM 0 HB2 MET A 24 85.255 3.853 14.483 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.805 4.492 14.994 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.748 5.411 17.046 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.200 4.764 16.537 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.879 2.260 16.809 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.792 4.037 16.860 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.793 3.103 18.374 1.00 0.00 H new ATOM 663 N CYS A 25 86.944 6.614 12.597 1.00 0.00 N ATOM 664 CA CYS A 25 87.401 6.736 11.224 1.00 0.00 C ATOM 665 C CYS A 25 88.224 5.513 10.841 1.00 0.00 C ATOM 666 O CYS A 25 88.865 4.898 11.695 1.00 0.00 O ATOM 667 CB CYS A 25 88.224 8.016 11.056 1.00 0.00 C ATOM 668 SG CYS A 25 88.589 8.452 9.340 1.00 0.00 S ATOM 0 H CYS A 25 87.549 7.060 13.286 1.00 0.00 H new ATOM 0 HA CYS A 25 86.537 6.794 10.562 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.686 8.842 11.521 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.164 7.902 11.597 1.00 0.00 H new ATOM 0 HG CYS A 25 88.017 7.598 8.544 1.00 0.00 H new ATOM 674 N LEU A 26 88.196 5.156 9.564 1.00 0.00 N ATOM 675 CA LEU A 26 88.918 3.988 9.088 1.00 0.00 C ATOM 676 C LEU A 26 90.418 4.253 9.108 1.00 0.00 C ATOM 677 O LEU A 26 90.930 5.046 8.321 1.00 0.00 O ATOM 678 CB LEU A 26 88.468 3.611 7.674 1.00 0.00 C ATOM 679 CG LEU A 26 89.105 2.339 7.108 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.700 1.124 7.932 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.716 2.147 5.651 1.00 0.00 C ATOM 0 H LEU A 26 87.681 5.659 8.841 1.00 0.00 H new ATOM 0 HA LEU A 26 88.697 3.153 9.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.385 3.487 7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.693 4.441 7.004 1.00 0.00 H new ATOM 0 HG LEU A 26 90.188 2.447 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.163 0.230 7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.031 1.256 8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.616 1.015 7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.179 1.238 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.632 2.064 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.058 3.002 5.067 1.00 0.00 H new ATOM 693 N ARG A 27 91.110 3.600 10.022 1.00 0.00 N ATOM 694 CA ARG A 27 92.544 3.769 10.151 1.00 0.00 C ATOM 695 C ARG A 27 93.257 2.586 9.515 1.00 0.00 C ATOM 696 O ARG A 27 92.946 1.429 9.809 1.00 0.00 O ATOM 697 CB ARG A 27 92.923 3.907 11.627 1.00 0.00 C ATOM 698 CG ARG A 27 94.358 4.346 11.850 1.00 0.00 C ATOM 699 CD ARG A 27 94.608 4.722 13.304 1.00 0.00 C ATOM 700 NE ARG A 27 95.919 5.338 13.483 1.00 0.00 N ATOM 701 CZ ARG A 27 96.165 6.634 13.286 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.169 7.472 13.023 1.00 0.00 N ATOM 703 NH2 ARG A 27 97.401 7.098 13.387 1.00 0.00 N ATOM 0 H ARG A 27 90.700 2.945 10.688 1.00 0.00 H new ATOM 0 HA ARG A 27 92.852 4.678 9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.255 4.627 12.099 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.763 2.951 12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.035 3.542 11.560 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.582 5.199 11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 27 93.833 5.411 13.641 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.536 3.831 13.928 1.00 0.00 H new ATOM 0 HE ARG A 27 96.693 4.742 13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 27 94.211 7.125 12.971 1.00 0.00 H new ATOM 0 HH12 ARG A 27 95.362 8.462 12.873 1.00 0.00 H new ATOM 0 HH21 ARG A 27 98.167 6.464 13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 27 97.588 8.089 13.236 1.00 0.00 H new ATOM 717 N LEU A 28 94.194 2.872 8.627 1.00 0.00 N ATOM 718 CA LEU A 28 94.896 1.820 7.910 1.00 0.00 C ATOM 719 C LEU A 28 96.253 1.536 8.534 1.00 0.00 C ATOM 720 O LEU A 28 97.035 2.449 8.803 1.00 0.00 O ATOM 721 CB LEU A 28 95.072 2.183 6.434 1.00 0.00 C ATOM 722 CG LEU A 28 93.775 2.354 5.640 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.078 2.537 4.162 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.857 1.164 5.850 1.00 0.00 C ATOM 0 H LEU A 28 94.486 3.819 8.386 1.00 0.00 H new ATOM 0 HA LEU A 28 94.286 0.920 7.981 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.641 3.110 6.371 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.671 1.408 5.956 1.00 0.00 H new ATOM 0 HG LEU A 28 93.266 3.247 6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.145 2.657 3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.697 3.423 4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.609 1.662 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.941 1.306 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.357 0.255 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.613 1.075 6.909 1.00 0.00 H new ATOM 736 N ALA A 29 96.514 0.260 8.768 1.00 0.00 N ATOM 737 CA ALA A 29 97.801 -0.186 9.268 1.00 0.00 C ATOM 738 C ALA A 29 98.442 -1.129 8.260 1.00 0.00 C ATOM 739 O ALA A 29 97.740 -1.854 7.550 1.00 0.00 O ATOM 740 CB ALA A 29 97.642 -0.871 10.618 1.00 0.00 C ATOM 0 H ALA A 29 95.841 -0.492 8.617 1.00 0.00 H new ATOM 0 HA ALA A 29 98.449 0.680 9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.618 -1.199 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.209 -0.171 11.332 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.985 -1.735 10.513 1.00 0.00 H new ATOM 746 N ALA A 30 99.763 -1.117 8.190 1.00 0.00 N ATOM 747 CA ALA A 30 100.477 -1.936 7.225 1.00 0.00 C ATOM 748 C ALA A 30 101.759 -2.498 7.823 1.00 0.00 C ATOM 749 O ALA A 30 102.296 -1.957 8.793 1.00 0.00 O ATOM 750 CB ALA A 30 100.789 -1.128 5.974 1.00 0.00 C ATOM 0 H ALA A 30 100.362 -0.550 8.790 1.00 0.00 H new ATOM 0 HA ALA A 30 99.835 -2.774 6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.324 -1.754 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.859 -0.779 5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.408 -0.271 6.239 1.00 0.00 H new ATOM 756 N GLY A 31 102.231 -3.592 7.247 1.00 0.00 N ATOM 757 CA GLY A 31 103.477 -4.195 7.670 1.00 0.00 C ATOM 758 C GLY A 31 103.899 -5.295 6.720 1.00 0.00 C ATOM 759 O GLY A 31 103.344 -5.415 5.629 1.00 0.00 O ATOM 0 H GLY A 31 101.765 -4.080 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 31 104.255 -3.433 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 31 103.365 -4.601 8.675 1.00 0.00 H new ATOM 763 N ARG A 32 104.872 -6.098 7.119 1.00 0.00 N ATOM 764 CA ARG A 32 105.305 -7.219 6.298 1.00 0.00 C ATOM 765 C ARG A 32 104.896 -8.529 6.954 1.00 0.00 C ATOM 766 O ARG A 32 105.089 -8.719 8.153 1.00 0.00 O ATOM 767 CB ARG A 32 106.817 -7.179 6.060 1.00 0.00 C ATOM 768 CG ARG A 32 107.274 -5.937 5.310 1.00 0.00 C ATOM 769 CD ARG A 32 108.731 -6.033 4.881 1.00 0.00 C ATOM 770 NE ARG A 32 109.178 -4.809 4.213 1.00 0.00 N ATOM 771 CZ ARG A 32 109.548 -4.738 2.934 1.00 0.00 C ATOM 772 NH1 ARG A 32 109.612 -5.834 2.185 1.00 0.00 N ATOM 773 NH2 ARG A 32 109.885 -3.564 2.416 1.00 0.00 N ATOM 0 H ARG A 32 105.375 -5.996 8.001 1.00 0.00 H new ATOM 0 HA ARG A 32 104.818 -7.144 5.326 1.00 0.00 H new ATOM 0 HB2 ARG A 32 107.331 -7.225 7.020 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.113 -8.064 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 32 106.646 -5.793 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 32 107.140 -5.061 5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 32 109.356 -6.221 5.754 1.00 0.00 H new ATOM 0 HD3 ARG A 32 108.858 -6.882 4.209 1.00 0.00 H new ATOM 0 HE ARG A 32 109.208 -3.951 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 32 109.377 -6.741 2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 32 109.896 -5.768 1.208 1.00 0.00 H new ATOM 0 HH21 ARG A 32 109.860 -2.725 2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 32 110.169 -3.501 1.438 1.00 0.00 H new ATOM 787 N ASN A 33 104.326 -9.422 6.160 1.00 0.00 N ATOM 788 CA ASN A 33 103.786 -10.673 6.669 1.00 0.00 C ATOM 789 C ASN A 33 104.439 -11.849 5.952 1.00 0.00 C ATOM 790 O ASN A 33 104.380 -11.945 4.729 1.00 0.00 O ATOM 791 CB ASN A 33 102.262 -10.684 6.477 1.00 0.00 C ATOM 792 CG ASN A 33 101.566 -11.893 7.087 1.00 0.00 C ATOM 793 OD1 ASN A 33 102.086 -13.008 7.080 1.00 0.00 O ATOM 794 ND2 ASN A 33 100.379 -11.674 7.627 1.00 0.00 N ATOM 0 H ASN A 33 104.225 -9.302 5.152 1.00 0.00 H new ATOM 0 HA ASN A 33 104.003 -10.765 7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 33 101.845 -9.778 6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 33 102.041 -10.651 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 33 99.864 -12.443 8.056 1.00 0.00 H new ATOM 0 HD22 ASN A 33 99.978 -10.736 7.615 1.00 0.00 H new ATOM 834 N SER A 37 102.588 -12.041 2.453 1.00 0.00 N ATOM 835 CA SER A 37 103.471 -11.068 1.785 1.00 0.00 C ATOM 836 C SER A 37 103.459 -9.692 2.470 1.00 0.00 C ATOM 837 O SER A 37 104.274 -9.427 3.357 1.00 0.00 O ATOM 838 CB SER A 37 103.159 -10.958 0.276 1.00 0.00 C ATOM 839 OG SER A 37 101.768 -10.822 0.016 1.00 0.00 O ATOM 0 HA SER A 37 104.486 -11.452 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 37 103.688 -10.101 -0.140 1.00 0.00 H new ATOM 0 HB3 SER A 37 103.536 -11.844 -0.235 1.00 0.00 H new ATOM 0 HG SER A 37 101.260 -11.345 0.671 1.00 0.00 H new ATOM 845 N ILE A 38 102.549 -8.817 2.071 1.00 0.00 N ATOM 846 CA ILE A 38 102.415 -7.524 2.715 1.00 0.00 C ATOM 847 C ILE A 38 101.157 -7.511 3.574 1.00 0.00 C ATOM 848 O ILE A 38 100.072 -7.852 3.104 1.00 0.00 O ATOM 849 CB ILE A 38 102.359 -6.369 1.689 1.00 0.00 C ATOM 850 CG1 ILE A 38 103.532 -6.476 0.706 1.00 0.00 C ATOM 851 CG2 ILE A 38 102.387 -5.023 2.403 1.00 0.00 C ATOM 852 CD1 ILE A 38 103.511 -5.428 -0.385 1.00 0.00 C ATOM 0 H ILE A 38 101.895 -8.980 1.306 1.00 0.00 H new ATOM 0 HA ILE A 38 103.296 -7.369 3.338 1.00 0.00 H new ATOM 0 HB ILE A 38 101.427 -6.445 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 38 104.467 -6.392 1.260 1.00 0.00 H new ATOM 0 HG13 ILE A 38 103.521 -7.465 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.347 -4.220 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 38 101.528 -4.947 3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.306 -4.938 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 38 104.371 -5.568 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 38 102.593 -5.525 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 38 103.554 -4.435 0.063 1.00 0.00 H new ATOM 864 N ASP A 39 101.304 -7.128 4.830 1.00 0.00 N ATOM 865 CA ASP A 39 100.214 -7.215 5.788 1.00 0.00 C ATOM 866 C ASP A 39 99.397 -5.931 5.787 1.00 0.00 C ATOM 867 O ASP A 39 99.926 -4.853 6.077 1.00 0.00 O ATOM 868 CB ASP A 39 100.756 -7.506 7.186 1.00 0.00 C ATOM 869 CG ASP A 39 99.685 -7.986 8.146 1.00 0.00 C ATOM 870 OD1 ASP A 39 99.401 -9.205 8.161 1.00 0.00 O ATOM 871 OD2 ASP A 39 99.133 -7.163 8.899 1.00 0.00 O ATOM 0 H ASP A 39 102.172 -6.752 5.212 1.00 0.00 H new ATOM 0 HA ASP A 39 99.560 -8.036 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.539 -8.261 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 39 101.218 -6.603 7.586 1.00 0.00 H new ATOM 876 N TYR A 40 98.128 -6.044 5.441 1.00 0.00 N ATOM 877 CA TYR A 40 97.232 -4.899 5.404 1.00 0.00 C ATOM 878 C TYR A 40 96.125 -5.052 6.435 1.00 0.00 C ATOM 879 O TYR A 40 95.443 -6.076 6.477 1.00 0.00 O ATOM 880 CB TYR A 40 96.619 -4.734 4.012 1.00 0.00 C ATOM 881 CG TYR A 40 97.597 -4.262 2.961 1.00 0.00 C ATOM 882 CD1 TYR A 40 97.839 -2.909 2.780 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.277 -5.163 2.152 1.00 0.00 C ATOM 884 CE1 TYR A 40 98.730 -2.465 1.827 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.172 -4.727 1.195 1.00 0.00 C ATOM 886 CZ TYR A 40 99.396 -3.374 1.038 1.00 0.00 C ATOM 887 OH TYR A 40 100.290 -2.927 0.095 1.00 0.00 O ATOM 0 H TYR A 40 97.689 -6.927 5.179 1.00 0.00 H new ATOM 0 HA TYR A 40 97.817 -4.010 5.639 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.196 -5.688 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 40 95.794 -4.024 4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 40 97.320 -2.190 3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 40 98.103 -6.222 2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 40 98.905 -1.407 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.693 -5.440 0.573 1.00 0.00 H new ATOM 0 HH TYR A 40 100.720 -2.106 0.415 1.00 0.00 H new ATOM 897 N ARG A 41 95.950 -4.037 7.266 1.00 0.00 N ATOM 898 CA ARG A 41 94.929 -4.069 8.302 1.00 0.00 C ATOM 899 C ARG A 41 94.067 -2.817 8.243 1.00 0.00 C ATOM 900 O ARG A 41 94.576 -1.697 8.271 1.00 0.00 O ATOM 901 CB ARG A 41 95.579 -4.203 9.680 1.00 0.00 C ATOM 902 CG ARG A 41 96.447 -5.442 9.808 1.00 0.00 C ATOM 903 CD ARG A 41 97.104 -5.543 11.171 1.00 0.00 C ATOM 904 NE ARG A 41 98.000 -6.693 11.242 1.00 0.00 N ATOM 905 CZ ARG A 41 98.266 -7.369 12.356 1.00 0.00 C ATOM 906 NH1 ARG A 41 97.720 -7.003 13.510 1.00 0.00 N ATOM 907 NH2 ARG A 41 99.080 -8.418 12.317 1.00 0.00 N ATOM 0 H ARG A 41 96.502 -3.180 7.244 1.00 0.00 H new ATOM 0 HA ARG A 41 94.289 -4.934 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.186 -3.319 9.877 1.00 0.00 H new ATOM 0 HB3 ARG A 41 94.800 -4.231 10.442 1.00 0.00 H new ATOM 0 HG2 ARG A 41 95.839 -6.329 9.633 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.216 -5.426 9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 41 97.663 -4.630 11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 41 96.338 -5.628 11.941 1.00 0.00 H new ATOM 0 HE ARG A 41 98.452 -6.998 10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 41 97.093 -6.199 13.545 1.00 0.00 H new ATOM 0 HH12 ARG A 41 97.928 -7.526 14.361 1.00 0.00 H new ATOM 0 HH21 ARG A 41 99.501 -8.705 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 41 99.284 -8.937 13.171 1.00 0.00 H new ATOM 921 N MET A 42 92.760 -3.012 8.147 1.00 0.00 N ATOM 922 CA MET A 42 91.819 -1.902 8.080 1.00 0.00 C ATOM 923 C MET A 42 90.918 -1.918 9.305 1.00 0.00 C ATOM 924 O MET A 42 90.068 -2.796 9.439 1.00 0.00 O ATOM 925 CB MET A 42 90.957 -1.992 6.816 1.00 0.00 C ATOM 926 CG MET A 42 91.750 -2.154 5.532 1.00 0.00 C ATOM 927 SD MET A 42 90.693 -2.166 4.072 1.00 0.00 S ATOM 928 CE MET A 42 89.651 -3.581 4.416 1.00 0.00 C ATOM 0 H MET A 42 92.325 -3.934 8.114 1.00 0.00 H new ATOM 0 HA MET A 42 92.388 -0.973 8.050 1.00 0.00 H new ATOM 0 HB2 MET A 42 90.273 -2.834 6.916 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.346 -1.092 6.742 1.00 0.00 H new ATOM 0 HG2 MET A 42 92.472 -1.342 5.448 1.00 0.00 H new ATOM 0 HG3 MET A 42 92.319 -3.083 5.574 1.00 0.00 H new ATOM 0 HE1 MET A 42 89.146 -3.892 3.501 1.00 0.00 H new ATOM 0 HE2 MET A 42 90.263 -4.402 4.789 1.00 0.00 H new ATOM 0 HE3 MET A 42 88.908 -3.312 5.167 1.00 0.00 H new ATOM 938 N GLY A 43 91.108 -0.961 10.196 1.00 0.00 N ATOM 939 CA GLY A 43 90.319 -0.930 11.406 1.00 0.00 C ATOM 940 C GLY A 43 89.881 0.469 11.771 1.00 0.00 C ATOM 941 O GLY A 43 90.664 1.410 11.683 1.00 0.00 O ATOM 0 H GLY A 43 91.791 -0.209 10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.440 -1.562 11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.900 -1.352 12.226 1.00 0.00 H new ATOM 945 N PHE A 44 88.623 0.608 12.158 1.00 0.00 N ATOM 946 CA PHE A 44 88.111 1.888 12.614 1.00 0.00 C ATOM 947 C PHE A 44 88.783 2.265 13.927 1.00 0.00 C ATOM 948 O PHE A 44 88.779 1.485 14.880 1.00 0.00 O ATOM 949 CB PHE A 44 86.591 1.830 12.793 1.00 0.00 C ATOM 950 CG PHE A 44 85.845 1.470 11.540 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.504 2.445 10.616 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.479 0.158 11.289 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.813 2.118 9.465 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.789 -0.176 10.140 1.00 0.00 C ATOM 955 CZ PHE A 44 84.455 0.806 9.228 1.00 0.00 C ATOM 0 H PHE A 44 87.940 -0.149 12.165 1.00 0.00 H new ATOM 0 HA PHE A 44 88.335 2.646 11.863 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.354 1.101 13.568 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.239 2.799 13.148 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.782 3.473 10.798 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.736 -0.613 12.000 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.554 2.887 8.752 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.511 -1.203 9.955 1.00 0.00 H new ATOM 0 HZ PHE A 44 83.914 0.548 8.330 1.00 0.00 H new ATOM 965 N ASP A 45 89.371 3.449 13.969 1.00 0.00 N ATOM 966 CA ASP A 45 90.112 3.888 15.139 1.00 0.00 C ATOM 967 C ASP A 45 90.022 5.406 15.274 1.00 0.00 C ATOM 968 O ASP A 45 89.161 6.040 14.657 1.00 0.00 O ATOM 969 CB ASP A 45 91.576 3.434 15.043 1.00 0.00 C ATOM 970 CG ASP A 45 92.238 3.279 16.403 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.743 4.283 16.948 1.00 0.00 O ATOM 972 OD2 ASP A 45 92.258 2.149 16.933 1.00 0.00 O ATOM 0 H ASP A 45 89.349 4.124 13.205 1.00 0.00 H new ATOM 0 HA ASP A 45 89.674 3.435 16.028 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.622 2.483 14.512 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.137 4.157 14.452 1.00 0.00 H new ATOM 977 N ASP A 46 90.899 5.976 16.087 1.00 0.00 N ATOM 978 CA ASP A 46 90.886 7.402 16.382 1.00 0.00 C ATOM 979 C ASP A 46 91.198 8.231 15.142 1.00 0.00 C ATOM 980 O ASP A 46 92.022 7.841 14.311 1.00 0.00 O ATOM 981 CB ASP A 46 91.913 7.712 17.471 1.00 0.00 C ATOM 982 CG ASP A 46 91.790 9.121 18.012 1.00 0.00 C ATOM 983 OD1 ASP A 46 91.002 9.322 18.962 1.00 0.00 O ATOM 984 OD2 ASP A 46 92.486 10.027 17.508 1.00 0.00 O ATOM 0 H ASP A 46 91.641 5.462 16.562 1.00 0.00 H new ATOM 0 HA ASP A 46 89.885 7.665 16.725 1.00 0.00 H new ATOM 0 HB2 ASP A 46 91.793 7.002 18.289 1.00 0.00 H new ATOM 0 HB3 ASP A 46 92.916 7.569 17.069 1.00 0.00 H new ATOM 989 N LEU A 47 90.532 9.369 15.026 1.00 0.00 N ATOM 990 CA LEU A 47 90.792 10.298 13.943 1.00 0.00 C ATOM 991 C LEU A 47 91.698 11.407 14.462 1.00 0.00 C ATOM 992 O LEU A 47 91.248 12.305 15.173 1.00 0.00 O ATOM 993 CB LEU A 47 89.470 10.875 13.405 1.00 0.00 C ATOM 994 CG LEU A 47 89.516 11.492 11.995 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.105 11.778 11.508 1.00 0.00 C ATOM 996 CD2 LEU A 47 90.343 12.772 11.967 1.00 0.00 C ATOM 0 H LEU A 47 89.804 9.671 15.674 1.00 0.00 H new ATOM 0 HA LEU A 47 91.286 9.782 13.120 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.725 10.080 13.406 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.122 11.638 14.101 1.00 0.00 H new ATOM 0 HG LEU A 47 89.994 10.771 11.332 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.146 12.214 10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 47 87.536 10.849 11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 47 87.619 12.476 12.190 1.00 0.00 H new ATOM 0 HD21 LEU A 47 90.352 13.177 10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 47 89.905 13.503 12.647 1.00 0.00 H new ATOM 0 HD23 LEU A 47 91.364 12.552 12.279 1.00 0.00 H new ATOM 1008 N THR A 48 92.974 11.319 14.138 1.00 0.00 N ATOM 1009 CA THR A 48 93.934 12.313 14.570 1.00 0.00 C ATOM 1010 C THR A 48 94.283 13.243 13.408 1.00 0.00 C ATOM 1011 O THR A 48 94.396 12.805 12.263 1.00 0.00 O ATOM 1012 CB THR A 48 95.204 11.629 15.114 1.00 0.00 C ATOM 1013 OG1 THR A 48 94.834 10.653 16.100 1.00 0.00 O ATOM 1014 CG2 THR A 48 96.155 12.641 15.738 1.00 0.00 C ATOM 0 H THR A 48 93.369 10.566 13.575 1.00 0.00 H new ATOM 0 HA THR A 48 93.492 12.906 15.371 1.00 0.00 H new ATOM 0 HB THR A 48 95.716 11.148 14.280 1.00 0.00 H new ATOM 0 HG1 THR A 48 93.923 10.833 16.413 1.00 0.00 H new ATOM 0 HG21 THR A 48 97.040 12.126 16.112 1.00 0.00 H new ATOM 0 HG22 THR A 48 96.451 13.373 14.987 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.655 13.149 16.563 1.00 0.00 H new ATOM 1022 N GLU A 49 94.450 14.528 13.700 1.00 0.00 N ATOM 1023 CA GLU A 49 94.718 15.517 12.662 1.00 0.00 C ATOM 1024 C GLU A 49 96.200 15.536 12.292 1.00 0.00 C ATOM 1025 O GLU A 49 96.706 16.513 11.738 1.00 0.00 O ATOM 1026 CB GLU A 49 94.265 16.907 13.116 1.00 0.00 C ATOM 1027 CG GLU A 49 92.808 16.956 13.553 1.00 0.00 C ATOM 1028 CD GLU A 49 92.227 18.352 13.493 1.00 0.00 C ATOM 1029 OE1 GLU A 49 92.467 19.148 14.421 1.00 0.00 O ATOM 1030 OE2 GLU A 49 91.523 18.662 12.506 1.00 0.00 O ATOM 0 H GLU A 49 94.405 14.909 14.645 1.00 0.00 H new ATOM 0 HA GLU A 49 94.150 15.236 11.775 1.00 0.00 H new ATOM 0 HB2 GLU A 49 94.896 17.234 13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 49 94.416 17.614 12.301 1.00 0.00 H new ATOM 0 HG2 GLU A 49 92.220 16.294 12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 49 92.725 16.576 14.571 1.00 0.00 H new ATOM 1037 N ASP A 50 96.887 14.445 12.597 1.00 0.00 N ATOM 1038 CA ASP A 50 98.291 14.295 12.249 1.00 0.00 C ATOM 1039 C ASP A 50 98.432 13.278 11.124 1.00 0.00 C ATOM 1040 O ASP A 50 99.496 13.127 10.526 1.00 0.00 O ATOM 1041 CB ASP A 50 99.097 13.846 13.470 1.00 0.00 C ATOM 1042 CG ASP A 50 100.594 13.966 13.258 1.00 0.00 C ATOM 1043 OD1 ASP A 50 101.096 15.109 13.228 1.00 0.00 O ATOM 1044 OD2 ASP A 50 101.276 12.928 13.149 1.00 0.00 O ATOM 0 H ASP A 50 96.490 13.645 13.089 1.00 0.00 H new ATOM 0 HA ASP A 50 98.679 15.257 11.914 1.00 0.00 H new ATOM 0 HB2 ASP A 50 98.807 14.446 14.333 1.00 0.00 H new ATOM 0 HB3 ASP A 50 98.849 12.811 13.704 1.00 0.00 H new ATOM 1049 N ASP A 51 97.334 12.596 10.836 1.00 0.00 N ATOM 1050 CA ASP A 51 97.320 11.565 9.811 1.00 0.00 C ATOM 1051 C ASP A 51 96.870 12.150 8.480 1.00 0.00 C ATOM 1052 O ASP A 51 96.342 13.264 8.428 1.00 0.00 O ATOM 1053 CB ASP A 51 96.376 10.423 10.202 1.00 0.00 C ATOM 1054 CG ASP A 51 96.655 9.862 11.582 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.738 9.279 11.788 1.00 0.00 O ATOM 1056 OD2 ASP A 51 95.774 9.979 12.459 1.00 0.00 O ATOM 0 H ASP A 51 96.437 12.739 11.300 1.00 0.00 H new ATOM 0 HA ASP A 51 98.333 11.174 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.347 10.782 10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.462 9.622 9.467 1.00 0.00 H new ATOM 1061 N ILE A 52 97.076 11.400 7.408 1.00 0.00 N ATOM 1062 CA ILE A 52 96.619 11.812 6.089 1.00 0.00 C ATOM 1063 C ILE A 52 95.204 11.297 5.851 1.00 0.00 C ATOM 1064 O ILE A 52 94.951 10.095 5.948 1.00 0.00 O ATOM 1065 CB ILE A 52 97.555 11.292 4.976 1.00 0.00 C ATOM 1066 CG1 ILE A 52 98.988 11.775 5.224 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.065 11.750 3.608 1.00 0.00 C ATOM 1068 CD1 ILE A 52 99.988 11.274 4.204 1.00 0.00 C ATOM 0 H ILE A 52 97.558 10.501 7.426 1.00 0.00 H new ATOM 0 HA ILE A 52 96.628 12.901 6.055 1.00 0.00 H new ATOM 0 HB ILE A 52 97.546 10.202 4.994 1.00 0.00 H new ATOM 0 HG12 ILE A 52 98.999 12.865 5.224 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.303 11.453 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.737 11.374 2.836 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.060 11.365 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.047 12.839 3.574 1.00 0.00 H new ATOM 0 HD11 ILE A 52 100.979 11.658 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.008 10.184 4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.699 11.618 3.211 1.00 0.00 H new ATOM 1080 N ARG A 53 94.286 12.205 5.556 1.00 0.00 N ATOM 1081 CA ARG A 53 92.886 11.843 5.388 1.00 0.00 C ATOM 1082 C ARG A 53 92.558 11.615 3.920 1.00 0.00 C ATOM 1083 O ARG A 53 92.927 12.414 3.058 1.00 0.00 O ATOM 1084 CB ARG A 53 91.981 12.941 5.946 1.00 0.00 C ATOM 1085 CG ARG A 53 92.395 13.424 7.322 1.00 0.00 C ATOM 1086 CD ARG A 53 91.470 14.517 7.820 1.00 0.00 C ATOM 1087 NE ARG A 53 92.110 15.335 8.843 1.00 0.00 N ATOM 1088 CZ ARG A 53 91.486 16.257 9.570 1.00 0.00 C ATOM 1089 NH1 ARG A 53 90.173 16.427 9.467 1.00 0.00 N ATOM 1090 NH2 ARG A 53 92.187 17.004 10.410 1.00 0.00 N ATOM 0 H ARG A 53 94.485 13.197 5.428 1.00 0.00 H new ATOM 0 HA ARG A 53 92.712 10.917 5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 53 91.981 13.786 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 53 90.958 12.569 5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 53 92.385 12.588 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 53 93.418 13.798 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 53 91.168 15.148 6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 53 90.562 14.070 8.226 1.00 0.00 H new ATOM 0 HE ARG A 53 93.105 15.190 9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 53 89.632 15.847 8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.705 17.137 10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 53 93.195 16.869 10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 53 91.719 17.714 10.973 1.00 0.00 H new ATOM 1104 N LEU A 54 91.872 10.520 3.646 1.00 0.00 N ATOM 1105 CA LEU A 54 91.436 10.200 2.297 1.00 0.00 C ATOM 1106 C LEU A 54 89.921 10.105 2.243 1.00 0.00 C ATOM 1107 O LEU A 54 89.285 9.662 3.196 1.00 0.00 O ATOM 1108 CB LEU A 54 92.041 8.874 1.836 1.00 0.00 C ATOM 1109 CG LEU A 54 93.564 8.844 1.738 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.036 7.456 1.338 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.053 9.883 0.741 1.00 0.00 C ATOM 0 H LEU A 54 91.602 9.830 4.347 1.00 0.00 H new ATOM 0 HA LEU A 54 91.774 10.996 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 54 91.723 8.091 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 54 91.627 8.626 0.859 1.00 0.00 H new ATOM 0 HG LEU A 54 93.982 9.085 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.124 7.447 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 54 93.712 6.732 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.611 7.192 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.141 9.848 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.631 9.672 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 54 93.738 10.875 1.065 1.00 0.00 H new ATOM 1123 N THR A 55 89.347 10.543 1.141 1.00 0.00 N ATOM 1124 CA THR A 55 87.924 10.382 0.913 1.00 0.00 C ATOM 1125 C THR A 55 87.692 9.775 -0.466 1.00 0.00 C ATOM 1126 O THR A 55 87.668 10.481 -1.473 1.00 0.00 O ATOM 1127 CB THR A 55 87.186 11.727 1.035 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.570 12.377 2.260 1.00 0.00 O ATOM 1129 CG2 THR A 55 85.677 11.525 1.019 1.00 0.00 C ATOM 0 H THR A 55 89.845 11.015 0.386 1.00 0.00 H new ATOM 0 HA THR A 55 87.525 9.713 1.675 1.00 0.00 H new ATOM 0 HB THR A 55 87.460 12.348 0.182 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.101 13.234 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.180 12.491 1.107 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.383 11.049 0.083 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.386 10.890 1.856 1.00 0.00 H new ATOM 1137 N SER A 56 87.554 8.457 -0.503 1.00 0.00 N ATOM 1138 CA SER A 56 87.471 7.738 -1.762 1.00 0.00 C ATOM 1139 C SER A 56 86.039 7.689 -2.291 1.00 0.00 C ATOM 1140 O SER A 56 85.634 8.519 -3.107 1.00 0.00 O ATOM 1141 CB SER A 56 88.030 6.324 -1.580 1.00 0.00 C ATOM 1142 OG SER A 56 87.498 5.717 -0.409 1.00 0.00 O ATOM 0 H SER A 56 87.497 7.866 0.326 1.00 0.00 H new ATOM 0 HA SER A 56 88.068 8.271 -2.502 1.00 0.00 H new ATOM 0 HB2 SER A 56 87.787 5.717 -2.452 1.00 0.00 H new ATOM 0 HB3 SER A 56 89.117 6.364 -1.512 1.00 0.00 H new ATOM 0 HG SER A 56 87.866 4.814 -0.312 1.00 0.00 H new ATOM 1148 N GLU A 57 85.274 6.729 -1.804 1.00 0.00 N ATOM 1149 CA GLU A 57 83.920 6.510 -2.287 1.00 0.00 C ATOM 1150 C GLU A 57 82.905 7.074 -1.299 1.00 0.00 C ATOM 1151 O GLU A 57 81.716 6.759 -1.356 1.00 0.00 O ATOM 1152 CB GLU A 57 83.678 5.014 -2.501 1.00 0.00 C ATOM 1153 CG GLU A 57 84.801 4.311 -3.255 1.00 0.00 C ATOM 1154 CD GLU A 57 85.123 4.964 -4.587 1.00 0.00 C ATOM 1155 OE1 GLU A 57 84.302 4.861 -5.518 1.00 0.00 O ATOM 1156 OE2 GLU A 57 86.199 5.589 -4.710 1.00 0.00 O ATOM 0 H GLU A 57 85.568 6.085 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 57 83.799 7.027 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 57 83.548 4.534 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.746 4.881 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 57 85.697 4.303 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 57 84.521 3.271 -3.425 1.00 0.00 H new ATOM 1163 N GLY A 58 83.386 7.923 -0.404 1.00 0.00 N ATOM 1164 CA GLY A 58 82.540 8.477 0.633 1.00 0.00 C ATOM 1165 C GLY A 58 83.051 8.113 2.007 1.00 0.00 C ATOM 1166 O GLY A 58 82.815 8.823 2.982 1.00 0.00 O ATOM 0 H GLY A 58 84.355 8.241 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 58 82.500 9.562 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.522 8.108 0.511 1.00 0.00 H new ATOM 1170 N VAL A 59 83.765 6.998 2.076 1.00 0.00 N ATOM 1171 CA VAL A 59 84.370 6.550 3.317 1.00 0.00 C ATOM 1172 C VAL A 59 85.663 7.315 3.565 1.00 0.00 C ATOM 1173 O VAL A 59 86.540 7.362 2.697 1.00 0.00 O ATOM 1174 CB VAL A 59 84.666 5.033 3.292 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.254 4.571 4.618 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.404 4.248 2.963 1.00 0.00 C ATOM 0 H VAL A 59 83.939 6.385 1.279 1.00 0.00 H new ATOM 0 HA VAL A 59 83.661 6.744 4.122 1.00 0.00 H new ATOM 0 HB VAL A 59 85.403 4.844 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.453 3.500 4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.184 5.106 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.546 4.776 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 59 83.632 3.182 2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 59 82.644 4.447 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.031 4.552 1.985 1.00 0.00 H new ATOM 1186 N GLU A 60 85.764 7.937 4.730 1.00 0.00 N ATOM 1187 CA GLU A 60 86.954 8.686 5.090 1.00 0.00 C ATOM 1188 C GLU A 60 87.971 7.768 5.754 1.00 0.00 C ATOM 1189 O GLU A 60 87.625 6.952 6.612 1.00 0.00 O ATOM 1190 CB GLU A 60 86.597 9.858 6.010 1.00 0.00 C ATOM 1191 CG GLU A 60 87.782 10.749 6.348 1.00 0.00 C ATOM 1192 CD GLU A 60 87.376 12.008 7.080 1.00 0.00 C ATOM 1193 OE1 GLU A 60 87.184 11.956 8.311 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.255 13.064 6.423 1.00 0.00 O ATOM 0 H GLU A 60 85.034 7.937 5.442 1.00 0.00 H new ATOM 0 HA GLU A 60 87.397 9.094 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.824 10.461 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.172 9.467 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.489 10.189 6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.302 11.020 5.429 1.00 0.00 H new ATOM 1201 N ILE A 61 89.217 7.896 5.331 1.00 0.00 N ATOM 1202 CA ILE A 61 90.294 7.056 5.826 1.00 0.00 C ATOM 1203 C ILE A 61 91.406 7.918 6.416 1.00 0.00 C ATOM 1204 O ILE A 61 91.758 8.952 5.850 1.00 0.00 O ATOM 1205 CB ILE A 61 90.877 6.186 4.690 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.772 5.353 4.032 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.981 5.282 5.219 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.241 4.558 2.833 1.00 0.00 C ATOM 0 H ILE A 61 89.510 8.583 4.637 1.00 0.00 H new ATOM 0 HA ILE A 61 89.885 6.405 6.599 1.00 0.00 H new ATOM 0 HB ILE A 61 91.306 6.848 3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.357 4.668 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.964 6.017 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.378 4.678 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.780 5.892 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.577 4.628 5.992 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.404 3.994 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.629 5.238 2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 61 91.028 3.868 3.139 1.00 0.00 H new ATOM 1220 N VAL A 62 91.943 7.501 7.554 1.00 0.00 N ATOM 1221 CA VAL A 62 93.083 8.182 8.154 1.00 0.00 C ATOM 1222 C VAL A 62 94.308 7.273 8.140 1.00 0.00 C ATOM 1223 O VAL A 62 94.267 6.138 8.626 1.00 0.00 O ATOM 1224 CB VAL A 62 92.796 8.663 9.595 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.868 9.866 9.575 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.199 7.547 10.443 1.00 0.00 C ATOM 0 H VAL A 62 91.608 6.694 8.081 1.00 0.00 H new ATOM 0 HA VAL A 62 93.278 9.069 7.551 1.00 0.00 H new ATOM 0 HB VAL A 62 93.744 8.955 10.046 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.675 10.194 10.597 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.335 10.677 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.927 9.592 9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.009 7.917 11.450 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.263 7.212 9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.898 6.712 10.489 1.00 0.00 H new ATOM 1236 N ILE A 63 95.386 7.764 7.552 1.00 0.00 N ATOM 1237 CA ILE A 63 96.602 6.980 7.416 1.00 0.00 C ATOM 1238 C ILE A 63 97.793 7.705 8.030 1.00 0.00 C ATOM 1239 O ILE A 63 98.119 8.826 7.637 1.00 0.00 O ATOM 1240 CB ILE A 63 96.910 6.677 5.935 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.745 5.918 5.295 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.200 5.880 5.811 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.930 5.651 3.817 1.00 0.00 C ATOM 0 H ILE A 63 95.444 8.704 7.160 1.00 0.00 H new ATOM 0 HA ILE A 63 96.436 6.042 7.947 1.00 0.00 H new ATOM 0 HB ILE A 63 97.039 7.622 5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.614 4.968 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.828 6.489 5.440 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.402 5.675 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.025 6.454 6.233 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.099 4.939 6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.065 5.110 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.030 6.598 3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.828 5.053 3.665 1.00 0.00 H new ATOM 1255 N ALA A 64 98.433 7.058 8.994 1.00 0.00 N ATOM 1256 CA ALA A 64 99.635 7.600 9.611 1.00 0.00 C ATOM 1257 C ALA A 64 100.799 7.566 8.622 1.00 0.00 C ATOM 1258 O ALA A 64 100.925 6.620 7.839 1.00 0.00 O ATOM 1259 CB ALA A 64 99.979 6.818 10.869 1.00 0.00 C ATOM 0 H ALA A 64 98.139 6.155 9.366 1.00 0.00 H new ATOM 0 HA ALA A 64 99.450 8.637 9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.880 7.233 11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.153 6.886 11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.151 5.773 10.612 1.00 0.00 H new ATOM 1265 N PRO A 65 101.667 8.595 8.654 1.00 0.00 N ATOM 1266 CA PRO A 65 102.796 8.740 7.720 1.00 0.00 C ATOM 1267 C PRO A 65 103.648 7.476 7.603 1.00 0.00 C ATOM 1268 O PRO A 65 104.141 7.150 6.522 1.00 0.00 O ATOM 1269 CB PRO A 65 103.626 9.889 8.315 1.00 0.00 C ATOM 1270 CG PRO A 65 103.046 10.159 9.665 1.00 0.00 C ATOM 1271 CD PRO A 65 101.614 9.715 9.603 1.00 0.00 C ATOM 0 HA PRO A 65 102.442 8.931 6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.678 9.612 8.390 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.574 10.776 7.683 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.589 9.615 10.438 1.00 0.00 H new ATOM 0 HG3 PRO A 65 103.115 11.218 9.913 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.244 9.402 10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.957 10.512 9.254 1.00 0.00 H new ATOM 1279 N ASP A 66 103.802 6.764 8.714 1.00 0.00 N ATOM 1280 CA ASP A 66 104.598 5.538 8.749 1.00 0.00 C ATOM 1281 C ASP A 66 104.027 4.478 7.816 1.00 0.00 C ATOM 1282 O ASP A 66 104.767 3.773 7.132 1.00 0.00 O ATOM 1283 CB ASP A 66 104.650 4.973 10.169 1.00 0.00 C ATOM 1284 CG ASP A 66 105.307 5.911 11.156 1.00 0.00 C ATOM 1285 OD1 ASP A 66 104.599 6.769 11.724 1.00 0.00 O ATOM 1286 OD2 ASP A 66 106.527 5.781 11.386 1.00 0.00 O ATOM 0 H ASP A 66 103.383 7.016 9.610 1.00 0.00 H new ATOM 0 HA ASP A 66 105.604 5.796 8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 66 103.636 4.754 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 66 105.193 4.028 10.158 1.00 0.00 H new ATOM 1291 N TYR A 67 102.704 4.380 7.783 1.00 0.00 N ATOM 1292 CA TYR A 67 102.039 3.324 7.030 1.00 0.00 C ATOM 1293 C TYR A 67 101.871 3.712 5.567 1.00 0.00 C ATOM 1294 O TYR A 67 101.725 2.847 4.705 1.00 0.00 O ATOM 1295 CB TYR A 67 100.680 3.001 7.652 1.00 0.00 C ATOM 1296 CG TYR A 67 100.768 2.581 9.100 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.494 1.456 9.473 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.129 3.308 10.095 1.00 0.00 C ATOM 1299 CE1 TYR A 67 101.581 1.069 10.795 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.211 2.928 11.420 1.00 0.00 C ATOM 1301 CZ TYR A 67 100.938 1.809 11.765 1.00 0.00 C ATOM 1302 OH TYR A 67 101.021 1.427 13.084 1.00 0.00 O ATOM 0 H TYR A 67 102.072 5.017 8.267 1.00 0.00 H new ATOM 0 HA TYR A 67 102.668 2.435 7.073 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.036 3.877 7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.206 2.204 7.078 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.999 0.875 8.715 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.558 4.185 9.828 1.00 0.00 H new ATOM 0 HE1 TYR A 67 102.149 0.192 11.068 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.708 3.505 12.182 1.00 0.00 H new ATOM 0 HH TYR A 67 100.513 2.055 13.639 1.00 0.00 H new ATOM 1312 N VAL A 68 101.907 5.015 5.298 1.00 0.00 N ATOM 1313 CA VAL A 68 101.773 5.537 3.936 1.00 0.00 C ATOM 1314 C VAL A 68 102.751 4.854 2.980 1.00 0.00 C ATOM 1315 O VAL A 68 102.412 4.559 1.835 1.00 0.00 O ATOM 1316 CB VAL A 68 102.015 7.065 3.899 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.955 7.601 2.476 1.00 0.00 C ATOM 1318 CG2 VAL A 68 101.008 7.787 4.777 1.00 0.00 C ATOM 0 H VAL A 68 102.029 5.735 6.010 1.00 0.00 H new ATOM 0 HA VAL A 68 100.753 5.325 3.614 1.00 0.00 H new ATOM 0 HB VAL A 68 103.016 7.251 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 68 102.129 8.677 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.720 7.115 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.972 7.396 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 68 101.195 8.860 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.999 7.581 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 68 101.106 7.439 5.805 1.00 0.00 H new ATOM 1328 N SER A 69 103.947 4.560 3.479 1.00 0.00 N ATOM 1329 CA SER A 69 105.019 4.013 2.655 1.00 0.00 C ATOM 1330 C SER A 69 104.715 2.595 2.155 1.00 0.00 C ATOM 1331 O SER A 69 105.430 2.073 1.299 1.00 0.00 O ATOM 1332 CB SER A 69 106.324 4.016 3.450 1.00 0.00 C ATOM 1333 OG SER A 69 106.615 5.315 3.941 1.00 0.00 O ATOM 0 H SER A 69 104.199 4.693 4.458 1.00 0.00 H new ATOM 0 HA SER A 69 105.111 4.648 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.249 3.317 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 69 107.141 3.671 2.817 1.00 0.00 H new ATOM 0 HG SER A 69 107.453 5.293 4.448 1.00 0.00 H new ATOM 1339 N LEU A 70 103.666 1.971 2.681 1.00 0.00 N ATOM 1340 CA LEU A 70 103.313 0.613 2.276 1.00 0.00 C ATOM 1341 C LEU A 70 101.869 0.535 1.790 1.00 0.00 C ATOM 1342 O LEU A 70 101.395 -0.536 1.402 1.00 0.00 O ATOM 1343 CB LEU A 70 103.516 -0.361 3.442 1.00 0.00 C ATOM 1344 CG LEU A 70 104.961 -0.522 3.924 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.016 -1.431 5.142 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.837 -1.076 2.809 1.00 0.00 C ATOM 0 H LEU A 70 103.049 2.379 3.383 1.00 0.00 H new ATOM 0 HA LEU A 70 103.969 0.334 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.907 -0.027 4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.140 -1.340 3.145 1.00 0.00 H new ATOM 0 HG LEU A 70 105.341 0.460 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.050 -1.535 5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.420 -0.999 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.618 -2.412 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.860 -1.184 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.458 -2.049 2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.822 -0.392 1.960 1.00 0.00 H new ATOM 1358 N LEU A 71 101.178 1.668 1.799 1.00 0.00 N ATOM 1359 CA LEU A 71 99.758 1.690 1.472 1.00 0.00 C ATOM 1360 C LEU A 71 99.492 2.356 0.129 1.00 0.00 C ATOM 1361 O LEU A 71 98.422 2.182 -0.450 1.00 0.00 O ATOM 1362 CB LEU A 71 98.972 2.418 2.566 1.00 0.00 C ATOM 1363 CG LEU A 71 98.899 1.691 3.909 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.246 2.571 4.954 1.00 0.00 C ATOM 1365 CD2 LEU A 71 98.130 0.390 3.771 1.00 0.00 C ATOM 0 H LEU A 71 101.575 2.579 2.028 1.00 0.00 H new ATOM 0 HA LEU A 71 99.427 0.653 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.424 3.397 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.957 2.590 2.208 1.00 0.00 H new ATOM 0 HG LEU A 71 99.916 1.463 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.202 2.037 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.829 3.484 5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.236 2.826 4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.089 -0.113 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.117 0.601 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.631 -0.254 3.048 1.00 0.00 H new ATOM 1377 N ASP A 72 100.453 3.117 -0.370 1.00 0.00 N ATOM 1378 CA ASP A 72 100.244 3.857 -1.607 1.00 0.00 C ATOM 1379 C ASP A 72 100.402 2.947 -2.826 1.00 0.00 C ATOM 1380 O ASP A 72 101.068 1.912 -2.762 1.00 0.00 O ATOM 1381 CB ASP A 72 101.190 5.067 -1.699 1.00 0.00 C ATOM 1382 CG ASP A 72 102.635 4.699 -1.976 1.00 0.00 C ATOM 1383 OD1 ASP A 72 103.308 4.153 -1.077 1.00 0.00 O ATOM 1384 OD2 ASP A 72 103.110 4.964 -3.098 1.00 0.00 O ATOM 0 H ASP A 72 101.373 3.239 0.054 1.00 0.00 H new ATOM 0 HA ASP A 72 99.221 4.233 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 72 100.837 5.732 -2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 72 101.141 5.626 -0.765 1.00 0.00 H new ATOM 1389 N GLN A 73 99.733 3.332 -3.913 1.00 0.00 N ATOM 1390 CA GLN A 73 99.787 2.621 -5.195 1.00 0.00 C ATOM 1391 C GLN A 73 98.993 1.318 -5.152 1.00 0.00 C ATOM 1392 O GLN A 73 99.196 0.434 -5.987 1.00 0.00 O ATOM 1393 CB GLN A 73 101.233 2.340 -5.624 1.00 0.00 C ATOM 1394 CG GLN A 73 102.058 3.595 -5.852 1.00 0.00 C ATOM 1395 CD GLN A 73 103.434 3.297 -6.415 1.00 0.00 C ATOM 1396 OE1 GLN A 73 104.013 2.236 -6.165 1.00 0.00 O ATOM 1397 NE2 GLN A 73 103.968 4.231 -7.187 1.00 0.00 N ATOM 0 H GLN A 73 99.131 4.155 -3.931 1.00 0.00 H new ATOM 0 HA GLN A 73 99.329 3.277 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.717 1.731 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 73 101.222 1.751 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 73 101.525 4.256 -6.536 1.00 0.00 H new ATOM 0 HG3 GLN A 73 102.164 4.131 -4.909 1.00 0.00 H new ATOM 0 HE21 GLN A 73 103.457 5.095 -7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 73 104.890 4.087 -7.599 1.00 0.00 H new ATOM 1406 N THR A 74 98.064 1.213 -4.211 1.00 0.00 N ATOM 1407 CA THR A 74 97.288 -0.007 -4.051 1.00 0.00 C ATOM 1408 C THR A 74 95.846 0.172 -4.531 1.00 0.00 C ATOM 1409 O THR A 74 95.371 1.296 -4.721 1.00 0.00 O ATOM 1410 CB THR A 74 97.277 -0.470 -2.583 1.00 0.00 C ATOM 1411 OG1 THR A 74 96.760 0.573 -1.747 1.00 0.00 O ATOM 1412 CG2 THR A 74 98.675 -0.854 -2.124 1.00 0.00 C ATOM 0 H THR A 74 97.831 1.955 -3.550 1.00 0.00 H new ATOM 0 HA THR A 74 97.771 -0.767 -4.666 1.00 0.00 H new ATOM 0 HB THR A 74 96.637 -1.349 -2.505 1.00 0.00 H new ATOM 0 HG1 THR A 74 97.440 0.833 -1.091 1.00 0.00 H new ATOM 0 HG21 THR A 74 98.640 -1.177 -1.084 1.00 0.00 H new ATOM 0 HG22 THR A 74 99.051 -1.667 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 74 99.337 0.007 -2.214 1.00 0.00 H new ATOM 1420 N THR A 75 95.168 -0.946 -4.746 1.00 0.00 N ATOM 1421 CA THR A 75 93.760 -0.942 -5.111 1.00 0.00 C ATOM 1422 C THR A 75 93.003 -1.975 -4.278 1.00 0.00 C ATOM 1423 O THR A 75 93.417 -3.131 -4.190 1.00 0.00 O ATOM 1424 CB THR A 75 93.573 -1.242 -6.611 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.300 -0.277 -7.384 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.102 -1.207 -7.002 1.00 0.00 C ATOM 0 H THR A 75 95.577 -1.878 -4.673 1.00 0.00 H new ATOM 0 HA THR A 75 93.360 0.052 -4.909 1.00 0.00 H new ATOM 0 HB THR A 75 93.953 -2.244 -6.811 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.183 -0.467 -8.338 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.003 -1.422 -8.066 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.555 -1.955 -6.428 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.693 -0.219 -6.792 1.00 0.00 H new ATOM 1434 N LEU A 76 91.912 -1.545 -3.659 1.00 0.00 N ATOM 1435 CA LEU A 76 91.144 -2.401 -2.769 1.00 0.00 C ATOM 1436 C LEU A 76 89.798 -2.787 -3.377 1.00 0.00 C ATOM 1437 O LEU A 76 89.023 -1.926 -3.800 1.00 0.00 O ATOM 1438 CB LEU A 76 90.921 -1.691 -1.432 1.00 0.00 C ATOM 1439 CG LEU A 76 90.038 -2.440 -0.432 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.672 -3.764 -0.043 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.790 -1.585 0.798 1.00 0.00 C ATOM 0 H LEU A 76 91.538 -0.601 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 76 91.715 -3.316 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.891 -1.510 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.474 -0.716 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 76 89.080 -2.648 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.028 -4.281 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.799 -4.382 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.645 -3.581 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.160 -2.132 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.741 -1.347 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.290 -0.662 0.505 1.00 0.00 H new ATOM 1453 N ASP A 77 89.537 -4.088 -3.411 1.00 0.00 N ATOM 1454 CA ASP A 77 88.250 -4.623 -3.843 1.00 0.00 C ATOM 1455 C ASP A 77 87.956 -5.886 -3.043 1.00 0.00 C ATOM 1456 O ASP A 77 88.853 -6.416 -2.388 1.00 0.00 O ATOM 1457 CB ASP A 77 88.266 -4.935 -5.345 1.00 0.00 C ATOM 1458 CG ASP A 77 86.906 -5.358 -5.871 1.00 0.00 C ATOM 1459 OD1 ASP A 77 85.884 -4.849 -5.365 1.00 0.00 O ATOM 1460 OD2 ASP A 77 86.853 -6.190 -6.801 1.00 0.00 O ATOM 0 H ASP A 77 90.212 -4.803 -3.140 1.00 0.00 H new ATOM 0 HA ASP A 77 87.471 -3.881 -3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.604 -4.054 -5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.989 -5.728 -5.539 1.00 0.00 H new ATOM 1465 N TYR A 78 86.725 -6.371 -3.075 1.00 0.00 N ATOM 1466 CA TYR A 78 86.397 -7.582 -2.344 1.00 0.00 C ATOM 1467 C TYR A 78 85.825 -8.638 -3.276 1.00 0.00 C ATOM 1468 O TYR A 78 85.035 -8.335 -4.176 1.00 0.00 O ATOM 1469 CB TYR A 78 85.431 -7.296 -1.183 1.00 0.00 C ATOM 1470 CG TYR A 78 83.961 -7.238 -1.559 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.385 -6.070 -2.036 1.00 0.00 C ATOM 1472 CD2 TYR A 78 83.147 -8.355 -1.412 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.042 -6.018 -2.359 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.804 -8.309 -1.729 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.257 -7.138 -2.203 1.00 0.00 C ATOM 1476 OH TYR A 78 79.916 -7.085 -2.511 1.00 0.00 O ATOM 0 H TYR A 78 85.950 -5.953 -3.590 1.00 0.00 H new ATOM 0 HA TYR A 78 87.322 -7.968 -1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.564 -8.066 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.710 -6.346 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 78 83.995 -5.187 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.573 -9.276 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 78 81.610 -5.101 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 78 81.186 -9.186 -1.606 1.00 0.00 H new ATOM 0 HH TYR A 78 79.508 -7.960 -2.346 1.00 0.00 H new ATOM 1486 N VAL A 79 86.248 -9.873 -3.065 1.00 0.00 N ATOM 1487 CA VAL A 79 85.766 -11.008 -3.836 1.00 0.00 C ATOM 1488 C VAL A 79 85.487 -12.179 -2.905 1.00 0.00 C ATOM 1489 O VAL A 79 86.042 -12.250 -1.804 1.00 0.00 O ATOM 1490 CB VAL A 79 86.782 -11.453 -4.917 1.00 0.00 C ATOM 1491 CG1 VAL A 79 86.939 -10.385 -5.989 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.130 -11.781 -4.286 1.00 0.00 C ATOM 0 H VAL A 79 86.936 -10.118 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 79 84.852 -10.694 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 79 86.396 -12.355 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 79 87.658 -10.722 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 79 85.976 -10.205 -6.467 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.296 -9.461 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 79 88.829 -12.091 -5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.519 -10.898 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.007 -12.589 -3.564 1.00 0.00 H new ATOM 1502 N GLU A 80 84.639 -13.097 -3.332 1.00 0.00 N ATOM 1503 CA GLU A 80 84.324 -14.247 -2.509 1.00 0.00 C ATOM 1504 C GLU A 80 85.258 -15.403 -2.846 1.00 0.00 C ATOM 1505 O GLU A 80 84.951 -16.250 -3.683 1.00 0.00 O ATOM 1506 CB GLU A 80 82.860 -14.665 -2.670 1.00 0.00 C ATOM 1507 CG GLU A 80 82.466 -15.803 -1.748 1.00 0.00 C ATOM 1508 CD GLU A 80 80.983 -16.094 -1.754 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.487 -16.679 -2.737 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.306 -15.763 -0.761 1.00 0.00 O ATOM 0 H GLU A 80 84.162 -13.069 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 80 84.471 -13.969 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.218 -13.806 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.684 -14.964 -3.703 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.007 -16.703 -2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.777 -15.562 -0.732 1.00 0.00 H new ATOM 1517 N LEU A 81 86.421 -15.402 -2.210 1.00 0.00 N ATOM 1518 CA LEU A 81 87.404 -16.464 -2.397 1.00 0.00 C ATOM 1519 C LEU A 81 86.901 -17.759 -1.776 1.00 0.00 C ATOM 1520 O LEU A 81 87.251 -18.858 -2.214 1.00 0.00 O ATOM 1521 CB LEU A 81 88.741 -16.070 -1.765 1.00 0.00 C ATOM 1522 CG LEU A 81 89.407 -14.829 -2.365 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.654 -14.464 -1.577 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.755 -15.063 -3.829 1.00 0.00 C ATOM 0 H LEU A 81 86.709 -14.674 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 81 87.551 -16.615 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 81 88.584 -15.899 -0.700 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.429 -16.911 -1.855 1.00 0.00 H new ATOM 0 HG LEU A 81 88.703 -13.999 -2.307 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.116 -13.580 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.382 -14.256 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.359 -15.295 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.227 -14.170 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.441 -15.906 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.846 -15.281 -4.389 1.00 0.00 H new ATOM 1536 N GLU A 82 86.077 -17.613 -0.750 1.00 0.00 N ATOM 1537 CA GLU A 82 85.494 -18.743 -0.056 1.00 0.00 C ATOM 1538 C GLU A 82 84.001 -18.516 0.078 1.00 0.00 C ATOM 1539 O GLU A 82 83.589 -17.465 0.552 1.00 0.00 O ATOM 1540 CB GLU A 82 86.121 -18.890 1.329 1.00 0.00 C ATOM 1541 CG GLU A 82 87.639 -18.897 1.312 1.00 0.00 C ATOM 1542 CD GLU A 82 88.224 -18.984 2.698 1.00 0.00 C ATOM 1543 OE1 GLU A 82 88.296 -17.942 3.375 1.00 0.00 O ATOM 1544 OE2 GLU A 82 88.601 -20.098 3.118 1.00 0.00 O ATOM 0 H GLU A 82 85.796 -16.706 -0.377 1.00 0.00 H new ATOM 0 HA GLU A 82 85.682 -19.656 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.777 -18.073 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.767 -19.816 1.782 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.990 -19.741 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.999 -17.992 0.824 1.00 0.00 H new ATOM 1551 N PRO A 83 83.175 -19.480 -0.355 1.00 0.00 N ATOM 1552 CA PRO A 83 81.713 -19.359 -0.293 1.00 0.00 C ATOM 1553 C PRO A 83 81.223 -18.933 1.090 1.00 0.00 C ATOM 1554 O PRO A 83 81.295 -19.702 2.051 1.00 0.00 O ATOM 1555 CB PRO A 83 81.230 -20.771 -0.626 1.00 0.00 C ATOM 1556 CG PRO A 83 82.315 -21.349 -1.466 1.00 0.00 C ATOM 1557 CD PRO A 83 83.598 -20.765 -0.942 1.00 0.00 C ATOM 0 HA PRO A 83 81.335 -18.594 -0.972 1.00 0.00 H new ATOM 0 HB2 PRO A 83 81.072 -21.360 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 83 80.282 -20.750 -1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 83 82.324 -22.437 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 83 82.172 -21.097 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 83 84.060 -21.414 -0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.329 -20.622 -1.738 1.00 0.00 H new ATOM 1565 N GLY A 84 80.754 -17.694 1.189 1.00 0.00 N ATOM 1566 CA GLY A 84 80.278 -17.176 2.455 1.00 0.00 C ATOM 1567 C GLY A 84 81.211 -16.130 3.031 1.00 0.00 C ATOM 1568 O GLY A 84 80.809 -15.325 3.874 1.00 0.00 O ATOM 0 H GLY A 84 80.696 -17.038 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 84 79.287 -16.742 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 84 80.172 -17.996 3.165 1.00 0.00 H new ATOM 1572 N GLN A 85 82.454 -16.129 2.574 1.00 0.00 N ATOM 1573 CA GLN A 85 83.453 -15.204 3.085 1.00 0.00 C ATOM 1574 C GLN A 85 83.930 -14.256 1.992 1.00 0.00 C ATOM 1575 O GLN A 85 84.755 -14.618 1.146 1.00 0.00 O ATOM 1576 CB GLN A 85 84.650 -15.954 3.668 1.00 0.00 C ATOM 1577 CG GLN A 85 84.283 -16.934 4.767 1.00 0.00 C ATOM 1578 CD GLN A 85 85.481 -17.355 5.595 1.00 0.00 C ATOM 1579 OE1 GLN A 85 86.435 -16.592 5.755 1.00 0.00 O ATOM 1580 NE2 GLN A 85 85.439 -18.562 6.133 1.00 0.00 N ATOM 0 H GLN A 85 82.795 -16.760 1.849 1.00 0.00 H new ATOM 0 HA GLN A 85 82.981 -14.623 3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 85 85.154 -16.494 2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 85 85.363 -15.230 4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 85 83.536 -16.481 5.419 1.00 0.00 H new ATOM 0 HG3 GLN A 85 83.824 -17.817 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 85 84.630 -19.163 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 85 86.216 -18.893 6.705 1.00 0.00 H new ATOM 1589 N PHE A 86 83.404 -13.043 2.012 1.00 0.00 N ATOM 1590 CA PHE A 86 83.829 -12.012 1.083 1.00 0.00 C ATOM 1591 C PHE A 86 85.105 -11.357 1.597 1.00 0.00 C ATOM 1592 O PHE A 86 85.081 -10.593 2.564 1.00 0.00 O ATOM 1593 CB PHE A 86 82.725 -10.970 0.896 1.00 0.00 C ATOM 1594 CG PHE A 86 81.468 -11.528 0.287 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.355 -11.675 -1.086 1.00 0.00 C ATOM 1596 CD2 PHE A 86 80.401 -11.905 1.087 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.202 -12.186 -1.650 1.00 0.00 C ATOM 1598 CE2 PHE A 86 79.245 -12.418 0.528 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.146 -12.558 -0.842 1.00 0.00 C ATOM 0 H PHE A 86 82.678 -12.748 2.665 1.00 0.00 H new ATOM 0 HA PHE A 86 84.030 -12.467 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.485 -10.529 1.864 1.00 0.00 H new ATOM 0 HB3 PHE A 86 83.099 -10.166 0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.178 -11.387 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 86 80.473 -11.797 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.127 -12.294 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 86 78.421 -12.709 1.162 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.244 -12.958 -1.281 1.00 0.00 H new ATOM 1609 N HIS A 87 86.216 -11.673 0.949 1.00 0.00 N ATOM 1610 CA HIS A 87 87.524 -11.219 1.404 1.00 0.00 C ATOM 1611 C HIS A 87 87.975 -9.991 0.631 1.00 0.00 C ATOM 1612 O HIS A 87 87.719 -9.869 -0.567 1.00 0.00 O ATOM 1613 CB HIS A 87 88.575 -12.325 1.246 1.00 0.00 C ATOM 1614 CG HIS A 87 88.429 -13.464 2.207 1.00 0.00 C ATOM 1615 ND1 HIS A 87 88.887 -13.414 3.502 1.00 0.00 N ATOM 1616 CD2 HIS A 87 87.895 -14.697 2.046 1.00 0.00 C ATOM 1617 CE1 HIS A 87 88.644 -14.566 4.097 1.00 0.00 C ATOM 1618 NE2 HIS A 87 88.044 -15.365 3.238 1.00 0.00 N ATOM 0 H HIS A 87 86.239 -12.244 0.104 1.00 0.00 H new ATOM 0 HA HIS A 87 87.428 -10.963 2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 87 88.523 -12.715 0.230 1.00 0.00 H new ATOM 0 HB3 HIS A 87 89.566 -11.887 1.369 1.00 0.00 H new ATOM 0 HD2 HIS A 87 87.437 -15.084 1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 87 88.895 -14.813 5.118 1.00 0.00 H new ATOM 0 HE2 HIS A 87 87.741 -16.320 3.426 1.00 0.00 H new ATOM 1627 N PHE A 88 88.648 -9.089 1.327 1.00 0.00 N ATOM 1628 CA PHE A 88 89.215 -7.905 0.704 1.00 0.00 C ATOM 1629 C PHE A 88 90.586 -8.223 0.129 1.00 0.00 C ATOM 1630 O PHE A 88 91.441 -8.783 0.816 1.00 0.00 O ATOM 1631 CB PHE A 88 89.336 -6.768 1.719 1.00 0.00 C ATOM 1632 CG PHE A 88 88.019 -6.205 2.169 1.00 0.00 C ATOM 1633 CD1 PHE A 88 87.359 -5.258 1.403 1.00 0.00 C ATOM 1634 CD2 PHE A 88 87.445 -6.615 3.362 1.00 0.00 C ATOM 1635 CE1 PHE A 88 86.152 -4.731 1.817 1.00 0.00 C ATOM 1636 CE2 PHE A 88 86.237 -6.092 3.780 1.00 0.00 C ATOM 1637 CZ PHE A 88 85.590 -5.148 3.007 1.00 0.00 C ATOM 0 H PHE A 88 88.815 -9.156 2.331 1.00 0.00 H new ATOM 0 HA PHE A 88 88.550 -7.589 -0.100 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.881 -7.130 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.931 -5.966 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.794 -4.928 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.948 -7.351 3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.648 -3.993 1.210 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.799 -6.421 4.711 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.646 -4.737 3.333 1.00 0.00 H new ATOM 1647 N ILE A 89 90.787 -7.879 -1.132 1.00 0.00 N ATOM 1648 CA ILE A 89 92.062 -8.108 -1.788 1.00 0.00 C ATOM 1649 C ILE A 89 92.756 -6.784 -2.081 1.00 0.00 C ATOM 1650 O ILE A 89 92.139 -5.837 -2.574 1.00 0.00 O ATOM 1651 CB ILE A 89 91.905 -8.918 -3.097 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.911 -8.237 -4.047 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.462 -10.343 -2.785 1.00 0.00 C ATOM 1654 CD1 ILE A 89 90.770 -8.932 -5.385 1.00 0.00 C ATOM 0 H ILE A 89 90.081 -7.439 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 89 92.674 -8.696 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 89 92.873 -8.956 -3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.934 -8.194 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.229 -7.208 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.355 -10.903 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.208 -10.826 -2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.505 -10.321 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.051 -8.392 -6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 89 91.737 -8.952 -5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.421 -9.953 -5.230 1.00 0.00 H new ATOM 1666 N PHE A 90 94.036 -6.716 -1.750 1.00 0.00 N ATOM 1667 CA PHE A 90 94.821 -5.512 -1.968 1.00 0.00 C ATOM 1668 C PHE A 90 95.763 -5.706 -3.144 1.00 0.00 C ATOM 1669 O PHE A 90 96.703 -6.500 -3.076 1.00 0.00 O ATOM 1670 CB PHE A 90 95.618 -5.152 -0.711 1.00 0.00 C ATOM 1671 CG PHE A 90 94.761 -4.799 0.472 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.246 -5.789 1.295 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.475 -3.475 0.763 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.463 -5.465 2.387 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.691 -3.145 1.854 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.186 -4.143 2.665 1.00 0.00 C ATOM 0 H PHE A 90 94.555 -7.485 -1.327 1.00 0.00 H new ATOM 0 HA PHE A 90 94.138 -4.692 -2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.259 -5.993 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.273 -4.311 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.459 -6.826 1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.868 -2.692 0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.069 -6.245 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.474 -2.110 2.071 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.574 -3.888 3.517 1.00 0.00 H new ATOM 1686 N LEU A 91 95.501 -4.997 -4.226 1.00 0.00 N ATOM 1687 CA LEU A 91 96.326 -5.096 -5.416 1.00 0.00 C ATOM 1688 C LEU A 91 97.536 -4.182 -5.310 1.00 0.00 C ATOM 1689 O LEU A 91 97.411 -2.956 -5.326 1.00 0.00 O ATOM 1690 CB LEU A 91 95.509 -4.763 -6.663 1.00 0.00 C ATOM 1691 CG LEU A 91 94.377 -5.745 -6.960 1.00 0.00 C ATOM 1692 CD1 LEU A 91 93.518 -5.241 -8.109 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.939 -7.122 -7.284 1.00 0.00 C ATOM 0 H LEU A 91 94.721 -4.344 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 91 96.682 -6.123 -5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 91 95.086 -3.765 -6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 91 96.179 -4.729 -7.522 1.00 0.00 H new ATOM 0 HG LEU A 91 93.751 -5.825 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.718 -5.954 -8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 91 93.087 -4.275 -7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 91 94.133 -5.131 -9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.119 -7.810 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.587 -7.054 -8.158 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.513 -7.490 -6.434 1.00 0.00 H new ATOM 1705 N ASN A 92 98.697 -4.796 -5.181 1.00 0.00 N ATOM 1706 CA ASN A 92 99.954 -4.067 -5.076 1.00 0.00 C ATOM 1707 C ASN A 92 100.927 -4.575 -6.140 1.00 0.00 C ATOM 1708 O ASN A 92 101.330 -5.736 -6.116 1.00 0.00 O ATOM 1709 CB ASN A 92 100.545 -4.235 -3.667 1.00 0.00 C ATOM 1710 CG ASN A 92 101.742 -3.333 -3.407 1.00 0.00 C ATOM 1711 OD1 ASN A 92 102.521 -3.024 -4.307 1.00 0.00 O ATOM 1712 ND2 ASN A 92 101.894 -2.899 -2.165 1.00 0.00 N ATOM 0 H ASN A 92 98.799 -5.810 -5.146 1.00 0.00 H new ATOM 0 HA ASN A 92 99.776 -3.005 -5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.772 -4.024 -2.928 1.00 0.00 H new ATOM 0 HB3 ASN A 92 100.844 -5.274 -3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 92 102.677 -2.288 -1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 92 101.228 -3.175 -1.443 1.00 0.00 H new