USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.47) USER MOD Single : A 45 GLN : amide:sc= 0.209 K(o=0.21,f=-0.41) USER MOD Single : A 49 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.047) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -1.03 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 48:sc= 0.778 USER MOD Single : A 64 HIS : no HD1:sc= -0.938 K(o=-0.94,f=-0.13) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 88 THR OG1 : rot -80:sc= -0.0185 USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.0273 (180deg=-0.297) USER MOD Single : A 97 ASN : amide:sc= -1.61 K(o=-1.6,f=-4.5!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -120:sc= -0.0463 USER MOD Single : A 104 ASN : amide:sc= -0.034 X(o=-0.034,f=0) USER MOD Single : A 112 SER OG : rot 99:sc= -0.717! USER MOD Single : A 113 THR OG1 : rot 103:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 384 N LYS A 25 101.958 3.750 -3.590 1.00 0.00 N ATOM 385 CA LYS A 25 103.044 4.474 -2.940 1.00 0.00 C ATOM 386 C LYS A 25 102.500 5.590 -2.053 1.00 0.00 C ATOM 387 O LYS A 25 103.090 6.665 -1.957 1.00 0.00 O ATOM 388 CB LYS A 25 103.997 5.057 -3.986 1.00 0.00 C ATOM 389 CG LYS A 25 104.438 4.048 -5.035 1.00 0.00 C ATOM 390 CD LYS A 25 105.824 3.500 -4.735 1.00 0.00 C ATOM 391 CE LYS A 25 105.765 2.353 -3.739 1.00 0.00 C ATOM 392 NZ LYS A 25 107.122 1.948 -3.278 1.00 0.00 N ATOM 0 HA LYS A 25 103.591 3.770 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 25 103.509 5.896 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.878 5.454 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.722 3.227 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 25 104.437 4.520 -6.018 1.00 0.00 H new ATOM 0 HD2 LYS A 25 106.289 3.157 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 25 106.453 4.296 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 25 105.163 2.649 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 25 105.267 1.499 -4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 107.039 1.164 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 107.689 1.642 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 107.587 2.756 -2.817 1.00 0.00 H new ATOM 406 N GLU A 26 101.370 5.324 -1.408 1.00 0.00 N ATOM 407 CA GLU A 26 100.742 6.303 -0.530 1.00 0.00 C ATOM 408 C GLU A 26 101.220 6.128 0.909 1.00 0.00 C ATOM 409 O GLU A 26 100.423 5.873 1.813 1.00 0.00 O ATOM 410 CB GLU A 26 99.218 6.176 -0.596 1.00 0.00 C ATOM 411 CG GLU A 26 98.482 7.281 0.142 1.00 0.00 C ATOM 412 CD GLU A 26 97.079 6.874 0.549 1.00 0.00 C ATOM 413 OE1 GLU A 26 96.947 5.961 1.391 1.00 0.00 O ATOM 414 OE2 GLU A 26 96.114 7.469 0.027 1.00 0.00 O ATOM 0 H GLU A 26 100.870 4.438 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 26 101.030 7.298 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 26 98.907 6.179 -1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 26 98.924 5.213 -0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 26 99.048 7.559 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 26 98.430 8.165 -0.493 1.00 0.00 H new ATOM 421 N GLY A 27 102.526 6.267 1.114 1.00 0.00 N ATOM 422 CA GLY A 27 103.087 6.118 2.443 1.00 0.00 C ATOM 423 C GLY A 27 102.829 4.745 3.028 1.00 0.00 C ATOM 424 O GLY A 27 102.471 3.812 2.310 1.00 0.00 O ATOM 0 H GLY A 27 103.205 6.480 0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 27 104.161 6.297 2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 27 102.662 6.876 3.101 1.00 0.00 H new ATOM 428 N VAL A 28 103.012 4.619 4.338 1.00 0.00 N ATOM 429 CA VAL A 28 102.796 3.350 5.022 1.00 0.00 C ATOM 430 C VAL A 28 101.584 3.424 5.943 1.00 0.00 C ATOM 431 O VAL A 28 101.658 3.977 7.041 1.00 0.00 O ATOM 432 CB VAL A 28 104.030 2.939 5.846 1.00 0.00 C ATOM 433 CG1 VAL A 28 103.857 1.534 6.402 1.00 0.00 C ATOM 434 CG2 VAL A 28 105.291 3.034 5.000 1.00 0.00 C ATOM 0 H VAL A 28 103.310 5.381 4.947 1.00 0.00 H new ATOM 0 HA VAL A 28 102.618 2.600 4.251 1.00 0.00 H new ATOM 0 HB VAL A 28 104.130 3.627 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 28 104.739 1.261 6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 28 102.977 1.503 7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 28 103.731 0.830 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 28 106.153 2.740 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 28 105.203 2.370 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 28 105.421 4.060 4.655 1.00 0.00 H new ATOM 444 N VAL A 29 100.468 2.862 5.489 1.00 0.00 N ATOM 445 CA VAL A 29 99.239 2.865 6.271 1.00 0.00 C ATOM 446 C VAL A 29 98.493 1.544 6.129 1.00 0.00 C ATOM 447 O VAL A 29 98.017 1.201 5.047 1.00 0.00 O ATOM 448 CB VAL A 29 98.308 4.017 5.846 1.00 0.00 C ATOM 449 CG1 VAL A 29 97.096 4.094 6.763 1.00 0.00 C ATOM 450 CG2 VAL A 29 99.063 5.337 5.837 1.00 0.00 C ATOM 0 H VAL A 29 100.391 2.399 4.583 1.00 0.00 H new ATOM 0 HA VAL A 29 99.527 3.005 7.313 1.00 0.00 H new ATOM 0 HB VAL A 29 97.955 3.819 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 96.451 4.914 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 29 96.542 3.157 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 29 97.425 4.267 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 29 98.390 6.139 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 29 99.447 5.543 6.836 1.00 0.00 H new ATOM 0 HG23 VAL A 29 99.894 5.276 5.134 1.00 0.00 H new ATOM 460 N ALA A 30 98.397 0.804 7.229 1.00 0.00 N ATOM 461 CA ALA A 30 97.708 -0.481 7.227 1.00 0.00 C ATOM 462 C ALA A 30 96.688 -0.558 8.358 1.00 0.00 C ATOM 463 O ALA A 30 96.958 -0.130 9.481 1.00 0.00 O ATOM 464 CB ALA A 30 98.715 -1.616 7.344 1.00 0.00 C ATOM 0 H ALA A 30 98.787 1.072 8.132 1.00 0.00 H new ATOM 0 HA ALA A 30 97.172 -0.579 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 30 98.189 -2.571 7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.404 -1.579 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 30 99.274 -1.512 8.274 1.00 0.00 H new ATOM 470 N VAL A 31 95.516 -1.104 8.054 1.00 0.00 N ATOM 471 CA VAL A 31 94.455 -1.237 9.046 1.00 0.00 C ATOM 472 C VAL A 31 94.150 -2.704 9.330 1.00 0.00 C ATOM 473 O VAL A 31 93.983 -3.504 8.409 1.00 0.00 O ATOM 474 CB VAL A 31 93.163 -0.536 8.585 1.00 0.00 C ATOM 475 CG1 VAL A 31 93.303 0.973 8.704 1.00 0.00 C ATOM 476 CG2 VAL A 31 92.816 -0.937 7.159 1.00 0.00 C ATOM 0 H VAL A 31 95.276 -1.462 7.129 1.00 0.00 H new ATOM 0 HA VAL A 31 94.813 -0.759 9.958 1.00 0.00 H new ATOM 0 HB VAL A 31 92.348 -0.854 9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 31 92.381 1.451 8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 31 93.498 1.239 9.743 1.00 0.00 H new ATOM 0 HG13 VAL A 31 94.131 1.312 8.081 1.00 0.00 H new ATOM 0 HG21 VAL A 31 91.900 -0.432 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 31 93.630 -0.651 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.669 -2.016 7.110 1.00 0.00 H new ATOM 486 N ASP A 32 94.079 -3.050 10.611 1.00 0.00 N ATOM 487 CA ASP A 32 93.795 -4.423 11.018 1.00 0.00 C ATOM 488 C ASP A 32 92.327 -4.766 10.787 1.00 0.00 C ATOM 489 O ASP A 32 91.534 -4.816 11.728 1.00 0.00 O ATOM 490 CB ASP A 32 94.153 -4.626 12.492 1.00 0.00 C ATOM 491 CG ASP A 32 95.647 -4.759 12.710 1.00 0.00 C ATOM 492 OD1 ASP A 32 96.328 -3.717 12.817 1.00 0.00 O ATOM 493 OD2 ASP A 32 96.137 -5.906 12.776 1.00 0.00 O ATOM 0 H ASP A 32 94.214 -2.400 11.385 1.00 0.00 H new ATOM 0 HA ASP A 32 94.406 -5.089 10.409 1.00 0.00 H new ATOM 0 HB2 ASP A 32 93.777 -3.784 13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 32 93.653 -5.520 12.865 1.00 0.00 H new ATOM 498 N ASP A 33 91.971 -5.001 9.528 1.00 0.00 N ATOM 499 CA ASP A 33 90.597 -5.339 9.173 1.00 0.00 C ATOM 500 C ASP A 33 89.653 -4.189 9.508 1.00 0.00 C ATOM 501 O ASP A 33 89.867 -3.459 10.476 1.00 0.00 O ATOM 502 CB ASP A 33 90.156 -6.608 9.903 1.00 0.00 C ATOM 503 CG ASP A 33 88.802 -7.105 9.434 1.00 0.00 C ATOM 504 OD1 ASP A 33 88.571 -7.125 8.208 1.00 0.00 O ATOM 505 OD2 ASP A 33 87.974 -7.473 10.293 1.00 0.00 O ATOM 0 H ASP A 33 92.614 -4.964 8.737 1.00 0.00 H new ATOM 0 HA ASP A 33 90.558 -5.517 8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 33 90.900 -7.390 9.749 1.00 0.00 H new ATOM 0 HB3 ASP A 33 90.117 -6.412 10.975 1.00 0.00 H new ATOM 510 N ARG A 34 88.607 -4.034 8.702 1.00 0.00 N ATOM 511 CA ARG A 34 87.627 -2.971 8.911 1.00 0.00 C ATOM 512 C ARG A 34 88.261 -1.599 8.694 1.00 0.00 C ATOM 513 O ARG A 34 88.044 -0.961 7.664 1.00 0.00 O ATOM 514 CB ARG A 34 87.033 -3.060 10.320 1.00 0.00 C ATOM 515 CG ARG A 34 85.526 -3.260 10.333 1.00 0.00 C ATOM 516 CD ARG A 34 84.788 -1.948 10.548 1.00 0.00 C ATOM 517 NE ARG A 34 83.718 -2.077 11.533 1.00 0.00 N ATOM 518 CZ ARG A 34 83.135 -1.042 12.135 1.00 0.00 C ATOM 519 NH1 ARG A 34 83.518 0.199 11.856 1.00 0.00 N ATOM 520 NH2 ARG A 34 82.166 -1.247 13.016 1.00 0.00 N ATOM 0 H ARG A 34 88.415 -4.631 7.897 1.00 0.00 H new ATOM 0 HA ARG A 34 86.826 -3.100 8.183 1.00 0.00 H new ATOM 0 HB2 ARG A 34 87.505 -3.885 10.853 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.275 -2.148 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 34 85.210 -3.706 9.390 1.00 0.00 H new ATOM 0 HG3 ARG A 34 85.259 -3.962 11.123 1.00 0.00 H new ATOM 0 HD2 ARG A 34 85.493 -1.185 10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 34 84.370 -1.608 9.601 1.00 0.00 H new ATOM 0 HE ARG A 34 83.398 -3.015 11.774 1.00 0.00 H new ATOM 0 HH11 ARG A 34 84.262 0.363 11.178 1.00 0.00 H new ATOM 0 HH12 ARG A 34 83.068 0.988 12.320 1.00 0.00 H new ATOM 0 HH21 ARG A 34 81.867 -2.198 13.233 1.00 0.00 H new ATOM 0 HH22 ARG A 34 81.720 -0.454 13.477 1.00 0.00 H new ATOM 534 N GLY A 35 89.043 -1.152 9.671 1.00 0.00 N ATOM 535 CA GLY A 35 89.695 0.141 9.566 1.00 0.00 C ATOM 536 C GLY A 35 90.184 0.655 10.906 1.00 0.00 C ATOM 537 O GLY A 35 89.687 1.661 11.411 1.00 0.00 O ATOM 0 H GLY A 35 89.237 -1.661 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 35 90.539 0.064 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 35 88.999 0.861 9.136 1.00 0.00 H new ATOM 541 N GLU A 36 91.162 -0.037 11.482 1.00 0.00 N ATOM 542 CA GLU A 36 91.721 0.356 12.771 1.00 0.00 C ATOM 543 C GLU A 36 93.151 0.864 12.613 1.00 0.00 C ATOM 544 O GLU A 36 94.074 0.085 12.373 1.00 0.00 O ATOM 545 CB GLU A 36 91.687 -0.826 13.744 1.00 0.00 C ATOM 546 CG GLU A 36 90.681 -0.656 14.872 1.00 0.00 C ATOM 547 CD GLU A 36 89.264 -0.471 14.367 1.00 0.00 C ATOM 548 OE1 GLU A 36 88.968 -0.936 13.245 1.00 0.00 O ATOM 549 OE2 GLU A 36 88.450 0.137 15.092 1.00 0.00 O ATOM 0 H GLU A 36 91.584 -0.873 11.077 1.00 0.00 H new ATOM 0 HA GLU A 36 91.113 1.166 13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 36 91.450 -1.735 13.191 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.680 -0.963 14.172 1.00 0.00 H new ATOM 0 HG2 GLU A 36 90.720 -1.530 15.523 1.00 0.00 H new ATOM 0 HG3 GLU A 36 90.962 0.205 15.478 1.00 0.00 H new ATOM 556 N VAL A 37 93.327 2.175 12.749 1.00 0.00 N ATOM 557 CA VAL A 37 94.645 2.786 12.621 1.00 0.00 C ATOM 558 C VAL A 37 95.201 3.182 13.986 1.00 0.00 C ATOM 559 O VAL A 37 95.876 4.202 14.120 1.00 0.00 O ATOM 560 CB VAL A 37 94.601 4.031 11.716 1.00 0.00 C ATOM 561 CG1 VAL A 37 94.342 3.634 10.270 1.00 0.00 C ATOM 562 CG2 VAL A 37 93.545 5.009 12.205 1.00 0.00 C ATOM 0 H VAL A 37 92.574 2.834 12.948 1.00 0.00 H new ATOM 0 HA VAL A 37 95.298 2.040 12.168 1.00 0.00 H new ATOM 0 HB VAL A 37 95.571 4.525 11.763 1.00 0.00 H new ATOM 0 HG11 VAL A 37 94.315 4.528 9.647 1.00 0.00 H new ATOM 0 HG12 VAL A 37 95.139 2.975 9.925 1.00 0.00 H new ATOM 0 HG13 VAL A 37 93.386 3.114 10.201 1.00 0.00 H new ATOM 0 HG21 VAL A 37 93.528 5.883 11.553 1.00 0.00 H new ATOM 0 HG22 VAL A 37 92.568 4.527 12.190 1.00 0.00 H new ATOM 0 HG23 VAL A 37 93.781 5.320 13.223 1.00 0.00 H new ATOM 572 N THR A 38 94.914 2.366 14.995 1.00 0.00 N ATOM 573 CA THR A 38 95.384 2.631 16.349 1.00 0.00 C ATOM 574 C THR A 38 96.908 2.651 16.407 1.00 0.00 C ATOM 575 O THR A 38 97.499 3.369 17.215 1.00 0.00 O ATOM 576 CB THR A 38 94.858 1.578 17.342 1.00 0.00 C ATOM 577 OG1 THR A 38 95.510 1.730 18.608 1.00 0.00 O ATOM 578 CG2 THR A 38 95.089 0.171 16.812 1.00 0.00 C ATOM 0 H THR A 38 94.358 1.516 14.900 1.00 0.00 H new ATOM 0 HA THR A 38 94.999 3.611 16.632 1.00 0.00 H new ATOM 0 HB THR A 38 93.786 1.731 17.465 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.169 1.058 19.234 1.00 0.00 H new ATOM 0 HG21 THR A 38 94.709 -0.555 17.531 1.00 0.00 H new ATOM 0 HG22 THR A 38 94.567 0.049 15.863 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.156 0.009 16.662 1.00 0.00 H new ATOM 586 N LEU A 39 97.540 1.859 15.546 1.00 0.00 N ATOM 587 CA LEU A 39 98.996 1.788 15.499 1.00 0.00 C ATOM 588 C LEU A 39 99.524 2.322 14.172 1.00 0.00 C ATOM 589 O LEU A 39 99.321 1.714 13.122 1.00 0.00 O ATOM 590 CB LEU A 39 99.463 0.345 15.705 1.00 0.00 C ATOM 591 CG LEU A 39 99.304 -0.188 17.132 1.00 0.00 C ATOM 592 CD1 LEU A 39 98.631 -1.552 17.124 1.00 0.00 C ATOM 593 CD2 LEU A 39 100.656 -0.265 17.827 1.00 0.00 C ATOM 0 H LEU A 39 97.067 1.258 14.872 1.00 0.00 H new ATOM 0 HA LEU A 39 99.392 2.409 16.302 1.00 0.00 H new ATOM 0 HB2 LEU A 39 98.906 -0.302 15.027 1.00 0.00 H new ATOM 0 HB3 LEU A 39 100.513 0.275 15.422 1.00 0.00 H new ATOM 0 HG LEU A 39 98.670 0.504 17.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 98.528 -1.913 18.147 1.00 0.00 H new ATOM 0 HD12 LEU A 39 97.645 -1.468 16.667 1.00 0.00 H new ATOM 0 HD13 LEU A 39 99.238 -2.254 16.552 1.00 0.00 H new ATOM 0 HD21 LEU A 39 100.523 -0.646 18.840 1.00 0.00 H new ATOM 0 HD22 LEU A 39 101.313 -0.934 17.271 1.00 0.00 H new ATOM 0 HD23 LEU A 39 101.101 0.729 17.869 1.00 0.00 H new ATOM 605 N ILE A 40 100.202 3.462 14.228 1.00 0.00 N ATOM 606 CA ILE A 40 100.758 4.082 13.031 1.00 0.00 C ATOM 607 C ILE A 40 102.261 3.840 12.933 1.00 0.00 C ATOM 608 O ILE A 40 102.953 3.747 13.947 1.00 0.00 O ATOM 609 CB ILE A 40 100.484 5.600 13.009 1.00 0.00 C ATOM 610 CG1 ILE A 40 100.975 6.213 11.695 1.00 0.00 C ATOM 611 CG2 ILE A 40 101.150 6.279 14.197 1.00 0.00 C ATOM 612 CD1 ILE A 40 100.571 7.660 11.517 1.00 0.00 C ATOM 0 H ILE A 40 100.380 3.977 15.090 1.00 0.00 H new ATOM 0 HA ILE A 40 100.266 3.620 12.175 1.00 0.00 H new ATOM 0 HB ILE A 40 99.408 5.758 13.082 1.00 0.00 H new ATOM 0 HG12 ILE A 40 102.062 6.139 11.652 1.00 0.00 H new ATOM 0 HG13 ILE A 40 100.583 5.629 10.862 1.00 0.00 H new ATOM 0 HG21 ILE A 40 100.946 7.349 14.166 1.00 0.00 H new ATOM 0 HG22 ILE A 40 100.755 5.862 15.123 1.00 0.00 H new ATOM 0 HG23 ILE A 40 102.226 6.113 14.154 1.00 0.00 H new ATOM 0 HD11 ILE A 40 100.952 8.030 10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 40 99.484 7.738 11.527 1.00 0.00 H new ATOM 0 HD13 ILE A 40 100.985 8.256 12.330 1.00 0.00 H new ATOM 624 N ASN A 41 102.760 3.739 11.704 1.00 0.00 N ATOM 625 CA ASN A 41 104.181 3.509 11.472 1.00 0.00 C ATOM 626 C ASN A 41 104.992 4.763 11.787 1.00 0.00 C ATOM 627 O ASN A 41 104.439 5.856 11.912 1.00 0.00 O ATOM 628 CB ASN A 41 104.417 3.082 10.021 1.00 0.00 C ATOM 629 CG ASN A 41 104.628 1.587 9.886 1.00 0.00 C ATOM 630 OD1 ASN A 41 105.620 1.138 9.312 1.00 0.00 O ATOM 631 ND2 ASN A 41 103.692 0.808 10.416 1.00 0.00 N ATOM 0 H ASN A 41 102.201 3.813 10.854 1.00 0.00 H new ATOM 0 HA ASN A 41 104.511 2.710 12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 41 103.563 3.382 9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 41 105.288 3.606 9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 41 103.779 -0.207 10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.886 1.224 10.883 1.00 0.00 H new ATOM 638 N ASP A 42 106.305 4.597 11.913 1.00 0.00 N ATOM 639 CA ASP A 42 107.190 5.715 12.213 1.00 0.00 C ATOM 640 C ASP A 42 107.216 6.713 11.059 1.00 0.00 C ATOM 641 O ASP A 42 106.753 7.845 11.194 1.00 0.00 O ATOM 642 CB ASP A 42 108.605 5.209 12.503 1.00 0.00 C ATOM 643 CG ASP A 42 108.944 5.257 13.980 1.00 0.00 C ATOM 644 OD1 ASP A 42 108.066 4.919 14.802 1.00 0.00 O ATOM 645 OD2 ASP A 42 110.088 5.632 14.315 1.00 0.00 O ATOM 0 H ASP A 42 106.778 3.699 11.812 1.00 0.00 H new ATOM 0 HA ASP A 42 106.807 6.223 13.098 1.00 0.00 H new ATOM 0 HB2 ASP A 42 108.702 4.185 12.144 1.00 0.00 H new ATOM 0 HB3 ASP A 42 109.324 5.811 11.948 1.00 0.00 H new ATOM 650 N ALA A 43 107.760 6.284 9.924 1.00 0.00 N ATOM 651 CA ALA A 43 107.845 7.140 8.747 1.00 0.00 C ATOM 652 C ALA A 43 106.461 7.600 8.301 1.00 0.00 C ATOM 653 O ALA A 43 106.312 8.668 7.706 1.00 0.00 O ATOM 654 CB ALA A 43 108.550 6.408 7.614 1.00 0.00 C ATOM 0 H ALA A 43 108.148 5.350 9.795 1.00 0.00 H new ATOM 0 HA ALA A 43 108.425 8.024 9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 43 108.607 7.058 6.741 1.00 0.00 H new ATOM 0 HB2 ALA A 43 109.557 6.134 7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 43 107.992 5.507 7.360 1.00 0.00 H new ATOM 660 N ALA A 44 105.449 6.788 8.590 1.00 0.00 N ATOM 661 CA ALA A 44 104.078 7.114 8.218 1.00 0.00 C ATOM 662 C ALA A 44 103.605 8.382 8.922 1.00 0.00 C ATOM 663 O ALA A 44 102.778 9.126 8.392 1.00 0.00 O ATOM 664 CB ALA A 44 103.154 5.951 8.547 1.00 0.00 C ATOM 0 H ALA A 44 105.553 5.900 9.081 1.00 0.00 H new ATOM 0 HA ALA A 44 104.051 7.295 7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 44 102.133 6.207 8.265 1.00 0.00 H new ATOM 0 HB2 ALA A 44 103.472 5.066 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 44 103.194 5.746 9.617 1.00 0.00 H new ATOM 670 N GLN A 45 104.132 8.622 10.118 1.00 0.00 N ATOM 671 CA GLN A 45 103.764 9.800 10.895 1.00 0.00 C ATOM 672 C GLN A 45 104.351 11.067 10.281 1.00 0.00 C ATOM 673 O GLN A 45 103.769 12.146 10.385 1.00 0.00 O ATOM 674 CB GLN A 45 104.241 9.653 12.341 1.00 0.00 C ATOM 675 CG GLN A 45 103.387 8.706 13.169 1.00 0.00 C ATOM 676 CD GLN A 45 104.101 8.218 14.414 1.00 0.00 C ATOM 677 OE1 GLN A 45 104.333 8.981 15.351 1.00 0.00 O ATOM 678 NE2 GLN A 45 104.456 6.938 14.429 1.00 0.00 N ATOM 0 H GLN A 45 104.816 8.016 10.571 1.00 0.00 H new ATOM 0 HA GLN A 45 102.677 9.884 10.884 1.00 0.00 H new ATOM 0 HB2 GLN A 45 105.270 9.295 12.341 1.00 0.00 H new ATOM 0 HB3 GLN A 45 104.245 10.634 12.815 1.00 0.00 H new ATOM 0 HG2 GLN A 45 102.465 9.211 13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 45 103.103 7.849 12.558 1.00 0.00 H new ATOM 0 HE21 GLN A 45 104.244 6.340 13.630 1.00 0.00 H new ATOM 0 HE22 GLN A 45 104.941 6.553 15.239 1.00 0.00 H new ATOM 687 N GLU A 46 105.509 10.928 9.642 1.00 0.00 N ATOM 688 CA GLU A 46 106.176 12.062 9.013 1.00 0.00 C ATOM 689 C GLU A 46 105.273 12.720 7.972 1.00 0.00 C ATOM 690 O GLU A 46 105.358 13.925 7.737 1.00 0.00 O ATOM 691 CB GLU A 46 107.484 11.613 8.359 1.00 0.00 C ATOM 692 CG GLU A 46 108.708 11.831 9.233 1.00 0.00 C ATOM 693 CD GLU A 46 109.905 11.021 8.774 1.00 0.00 C ATOM 694 OE1 GLU A 46 109.736 9.812 8.511 1.00 0.00 O ATOM 695 OE2 GLU A 46 111.010 11.594 8.677 1.00 0.00 O ATOM 0 H GLU A 46 106.004 10.041 9.546 1.00 0.00 H new ATOM 0 HA GLU A 46 106.398 12.795 9.789 1.00 0.00 H new ATOM 0 HB2 GLU A 46 107.411 10.555 8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 46 107.616 12.154 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 46 108.968 12.890 9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 46 108.467 11.565 10.262 1.00 0.00 H new ATOM 702 N LEU A 47 104.410 11.921 7.354 1.00 0.00 N ATOM 703 CA LEU A 47 103.495 12.428 6.338 1.00 0.00 C ATOM 704 C LEU A 47 102.368 13.237 6.973 1.00 0.00 C ATOM 705 O LEU A 47 102.173 14.409 6.650 1.00 0.00 O ATOM 706 CB LEU A 47 102.912 11.272 5.521 1.00 0.00 C ATOM 707 CG LEU A 47 102.701 11.573 4.037 1.00 0.00 C ATOM 708 CD1 LEU A 47 102.296 10.312 3.290 1.00 0.00 C ATOM 709 CD2 LEU A 47 101.652 12.661 3.859 1.00 0.00 C ATOM 0 H LEU A 47 104.325 10.921 7.538 1.00 0.00 H new ATOM 0 HA LEU A 47 104.059 13.084 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 47 103.576 10.412 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 47 101.956 10.984 5.958 1.00 0.00 H new ATOM 0 HG LEU A 47 103.642 11.931 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 47 102.150 10.545 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 47 103.080 9.562 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 47 101.367 9.924 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 47 101.514 12.863 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 47 100.708 12.330 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 47 101.982 13.570 4.361 1.00 0.00 H new ATOM 721 N LEU A 48 101.627 12.604 7.878 1.00 0.00 N ATOM 722 CA LEU A 48 100.520 13.267 8.557 1.00 0.00 C ATOM 723 C LEU A 48 101.023 14.106 9.729 1.00 0.00 C ATOM 724 O LEU A 48 100.979 15.334 9.687 1.00 0.00 O ATOM 725 CB LEU A 48 99.501 12.237 9.047 1.00 0.00 C ATOM 726 CG LEU A 48 98.037 12.680 8.954 1.00 0.00 C ATOM 727 CD1 LEU A 48 97.255 11.759 8.028 1.00 0.00 C ATOM 728 CD2 LEU A 48 97.399 12.716 10.334 1.00 0.00 C ATOM 0 H LEU A 48 101.773 11.634 8.157 1.00 0.00 H new ATOM 0 HA LEU A 48 100.035 13.932 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 48 99.625 11.321 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 48 99.725 11.991 10.085 1.00 0.00 H new ATOM 0 HG LEU A 48 98.011 13.687 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 48 96.218 12.091 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 48 97.695 11.786 7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 48 97.291 10.740 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 48 96.360 13.033 10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 48 97.439 11.722 10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 48 97.940 13.419 10.967 1.00 0.00 H new ATOM 740 N ASN A 49 101.500 13.433 10.772 1.00 0.00 N ATOM 741 CA ASN A 49 102.012 14.115 11.957 1.00 0.00 C ATOM 742 C ASN A 49 102.449 13.110 13.017 1.00 0.00 C ATOM 743 O ASN A 49 102.377 11.898 12.806 1.00 0.00 O ATOM 744 CB ASN A 49 100.949 15.055 12.534 1.00 0.00 C ATOM 745 CG ASN A 49 101.304 16.517 12.342 1.00 0.00 C ATOM 746 OD1 ASN A 49 101.948 16.888 11.361 1.00 0.00 O ATOM 747 ND2 ASN A 49 100.887 17.356 13.283 1.00 0.00 N ATOM 0 H ASN A 49 101.543 12.415 10.821 1.00 0.00 H new ATOM 0 HA ASN A 49 102.880 14.702 11.659 1.00 0.00 H new ATOM 0 HB2 ASN A 49 99.990 14.851 12.057 1.00 0.00 H new ATOM 0 HB3 ASN A 49 100.826 14.851 13.598 1.00 0.00 H new ATOM 0 HD21 ASN A 49 101.098 18.351 13.209 1.00 0.00 H new ATOM 0 HD22 ASN A 49 100.356 17.005 14.080 1.00 0.00 H new ATOM 754 N TYR A 50 102.902 13.619 14.158 1.00 0.00 N ATOM 755 CA TYR A 50 103.349 12.766 15.253 1.00 0.00 C ATOM 756 C TYR A 50 102.725 13.206 16.575 1.00 0.00 C ATOM 757 O TYR A 50 103.425 13.617 17.500 1.00 0.00 O ATOM 758 CB TYR A 50 104.875 12.796 15.359 1.00 0.00 C ATOM 759 CG TYR A 50 105.439 14.174 15.626 1.00 0.00 C ATOM 760 CD1 TYR A 50 105.350 15.179 14.670 1.00 0.00 C ATOM 761 CD2 TYR A 50 106.058 14.469 16.833 1.00 0.00 C ATOM 762 CE1 TYR A 50 105.865 16.438 14.911 1.00 0.00 C ATOM 763 CE2 TYR A 50 106.575 15.728 17.081 1.00 0.00 C ATOM 764 CZ TYR A 50 106.476 16.707 16.117 1.00 0.00 C ATOM 765 OH TYR A 50 106.990 17.961 16.359 1.00 0.00 O ATOM 0 H TYR A 50 102.969 14.619 14.348 1.00 0.00 H new ATOM 0 HA TYR A 50 103.027 11.746 15.042 1.00 0.00 H new ATOM 0 HB2 TYR A 50 105.188 12.124 16.158 1.00 0.00 H new ATOM 0 HB3 TYR A 50 105.302 12.411 14.433 1.00 0.00 H new ATOM 0 HD1 TYR A 50 104.871 14.972 13.724 1.00 0.00 H new ATOM 0 HD2 TYR A 50 106.137 13.703 17.591 1.00 0.00 H new ATOM 0 HE1 TYR A 50 105.789 17.208 14.158 1.00 0.00 H new ATOM 0 HE2 TYR A 50 107.054 15.942 18.025 1.00 0.00 H new ATOM 0 HH TYR A 50 107.385 17.985 17.255 1.00 0.00 H new ATOM 775 N ARG A 51 101.401 13.117 16.654 1.00 0.00 N ATOM 776 CA ARG A 51 100.680 13.506 17.861 1.00 0.00 C ATOM 777 C ARG A 51 99.552 12.524 18.161 1.00 0.00 C ATOM 778 O ARG A 51 99.025 11.873 17.258 1.00 0.00 O ATOM 779 CB ARG A 51 100.116 14.920 17.708 1.00 0.00 C ATOM 780 CG ARG A 51 100.434 15.832 18.882 1.00 0.00 C ATOM 781 CD ARG A 51 101.499 16.855 18.523 1.00 0.00 C ATOM 782 NE ARG A 51 101.590 17.923 19.516 1.00 0.00 N ATOM 783 CZ ARG A 51 102.184 19.093 19.293 1.00 0.00 C ATOM 784 NH1 ARG A 51 102.737 19.352 18.115 1.00 0.00 N ATOM 785 NH2 ARG A 51 102.223 20.009 20.252 1.00 0.00 N ATOM 0 H ARG A 51 100.806 12.779 15.897 1.00 0.00 H new ATOM 0 HA ARG A 51 101.381 13.490 18.695 1.00 0.00 H new ATOM 0 HB2 ARG A 51 100.514 15.364 16.795 1.00 0.00 H new ATOM 0 HB3 ARG A 51 99.034 14.860 17.588 1.00 0.00 H new ATOM 0 HG2 ARG A 51 99.527 16.346 19.200 1.00 0.00 H new ATOM 0 HG3 ARG A 51 100.774 15.233 19.727 1.00 0.00 H new ATOM 0 HD2 ARG A 51 102.465 16.357 18.436 1.00 0.00 H new ATOM 0 HD3 ARG A 51 101.274 17.286 17.547 1.00 0.00 H new ATOM 0 HE ARG A 51 101.174 17.763 20.433 1.00 0.00 H new ATOM 0 HH11 ARG A 51 102.709 18.652 17.373 1.00 0.00 H new ATOM 0 HH12 ARG A 51 103.191 20.251 17.951 1.00 0.00 H new ATOM 0 HH21 ARG A 51 101.798 19.816 21.159 1.00 0.00 H new ATOM 0 HH22 ARG A 51 102.678 20.906 20.082 1.00 0.00 H new ATOM 799 N LYS A 52 99.185 12.423 19.434 1.00 0.00 N ATOM 800 CA LYS A 52 98.117 11.523 19.852 1.00 0.00 C ATOM 801 C LYS A 52 96.791 11.925 19.216 1.00 0.00 C ATOM 802 O LYS A 52 96.678 12.993 18.616 1.00 0.00 O ATOM 803 CB LYS A 52 97.985 11.526 21.376 1.00 0.00 C ATOM 804 CG LYS A 52 99.162 10.880 22.089 1.00 0.00 C ATOM 805 CD LYS A 52 99.102 11.115 23.589 1.00 0.00 C ATOM 806 CE LYS A 52 100.289 10.483 24.298 1.00 0.00 C ATOM 807 NZ LYS A 52 100.585 11.154 25.593 1.00 0.00 N ATOM 0 H LYS A 52 99.611 12.953 20.194 1.00 0.00 H new ATOM 0 HA LYS A 52 98.372 10.517 19.519 1.00 0.00 H new ATOM 0 HB2 LYS A 52 97.881 12.555 21.722 1.00 0.00 H new ATOM 0 HB3 LYS A 52 97.070 11.003 21.654 1.00 0.00 H new ATOM 0 HG2 LYS A 52 99.167 9.809 21.887 1.00 0.00 H new ATOM 0 HG3 LYS A 52 100.094 11.283 21.694 1.00 0.00 H new ATOM 0 HD2 LYS A 52 99.084 12.186 23.790 1.00 0.00 H new ATOM 0 HD3 LYS A 52 98.176 10.700 23.987 1.00 0.00 H new ATOM 0 HE2 LYS A 52 100.086 9.427 24.475 1.00 0.00 H new ATOM 0 HE3 LYS A 52 101.166 10.535 23.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 101.401 10.693 26.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 100.804 12.156 25.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 99.757 11.082 26.218 1.00 0.00 H new ATOM 821 N SER A 53 95.787 11.062 19.351 1.00 0.00 N ATOM 822 CA SER A 53 94.465 11.327 18.789 1.00 0.00 C ATOM 823 C SER A 53 94.489 11.234 17.266 1.00 0.00 C ATOM 824 O SER A 53 93.823 10.383 16.676 1.00 0.00 O ATOM 825 CB SER A 53 93.965 12.709 19.221 1.00 0.00 C ATOM 826 OG SER A 53 92.550 12.755 19.243 1.00 0.00 O ATOM 0 H SER A 53 95.864 10.173 19.845 1.00 0.00 H new ATOM 0 HA SER A 53 93.781 10.568 19.170 1.00 0.00 H new ATOM 0 HB2 SER A 53 94.355 12.947 20.210 1.00 0.00 H new ATOM 0 HB3 SER A 53 94.346 13.467 18.537 1.00 0.00 H new ATOM 0 HG SER A 53 92.256 13.647 19.523 1.00 0.00 H new ATOM 832 N GLN A 54 95.259 12.116 16.632 1.00 0.00 N ATOM 833 CA GLN A 54 95.371 12.133 15.176 1.00 0.00 C ATOM 834 C GLN A 54 95.694 10.744 14.632 1.00 0.00 C ATOM 835 O GLN A 54 94.932 10.183 13.845 1.00 0.00 O ATOM 836 CB GLN A 54 96.449 13.127 14.740 1.00 0.00 C ATOM 837 CG GLN A 54 96.024 14.581 14.869 1.00 0.00 C ATOM 838 CD GLN A 54 97.035 15.420 15.627 1.00 0.00 C ATOM 839 OE1 GLN A 54 98.046 15.848 15.070 1.00 0.00 O ATOM 840 NE2 GLN A 54 96.767 15.658 16.906 1.00 0.00 N ATOM 0 H GLN A 54 95.815 12.829 17.105 1.00 0.00 H new ATOM 0 HA GLN A 54 94.409 12.445 14.769 1.00 0.00 H new ATOM 0 HB2 GLN A 54 97.345 12.965 15.339 1.00 0.00 H new ATOM 0 HB3 GLN A 54 96.718 12.926 13.703 1.00 0.00 H new ATOM 0 HG2 GLN A 54 95.880 15.003 13.874 1.00 0.00 H new ATOM 0 HG3 GLN A 54 95.062 14.630 15.378 1.00 0.00 H new ATOM 0 HE21 GLN A 54 95.917 15.283 17.327 1.00 0.00 H new ATOM 0 HE22 GLN A 54 97.411 16.215 17.467 1.00 0.00 H new ATOM 849 N ASP A 55 96.828 10.196 15.055 1.00 0.00 N ATOM 850 CA ASP A 55 97.250 8.873 14.609 1.00 0.00 C ATOM 851 C ASP A 55 96.344 7.790 15.187 1.00 0.00 C ATOM 852 O ASP A 55 96.047 6.796 14.524 1.00 0.00 O ATOM 853 CB ASP A 55 98.702 8.612 15.013 1.00 0.00 C ATOM 854 CG ASP A 55 98.890 8.593 16.519 1.00 0.00 C ATOM 855 OD1 ASP A 55 98.327 9.478 17.197 1.00 0.00 O ATOM 856 OD2 ASP A 55 99.600 7.694 17.017 1.00 0.00 O ATOM 0 H ASP A 55 97.471 10.647 15.706 1.00 0.00 H new ATOM 0 HA ASP A 55 97.174 8.843 13.522 1.00 0.00 H new ATOM 0 HB2 ASP A 55 99.026 7.658 14.597 1.00 0.00 H new ATOM 0 HB3 ASP A 55 99.341 9.382 14.580 1.00 0.00 H new ATOM 861 N ASP A 56 95.910 7.989 16.427 1.00 0.00 N ATOM 862 CA ASP A 56 95.038 7.032 17.096 1.00 0.00 C ATOM 863 C ASP A 56 93.584 7.241 16.685 1.00 0.00 C ATOM 864 O ASP A 56 93.288 8.038 15.796 1.00 0.00 O ATOM 865 CB ASP A 56 95.176 7.161 18.614 1.00 0.00 C ATOM 866 CG ASP A 56 96.603 6.956 19.085 1.00 0.00 C ATOM 867 OD1 ASP A 56 97.179 5.888 18.785 1.00 0.00 O ATOM 868 OD2 ASP A 56 97.145 7.863 19.750 1.00 0.00 O ATOM 0 H ASP A 56 96.149 8.806 16.989 1.00 0.00 H new ATOM 0 HA ASP A 56 95.340 6.029 16.795 1.00 0.00 H new ATOM 0 HB2 ASP A 56 94.832 8.148 18.925 1.00 0.00 H new ATOM 0 HB3 ASP A 56 94.528 6.430 19.098 1.00 0.00 H new ATOM 873 N GLU A 57 92.679 6.518 17.339 1.00 0.00 N ATOM 874 CA GLU A 57 91.254 6.623 17.042 1.00 0.00 C ATOM 875 C GLU A 57 90.954 6.125 15.631 1.00 0.00 C ATOM 876 O GLU A 57 91.863 5.767 14.882 1.00 0.00 O ATOM 877 CB GLU A 57 90.780 8.071 17.196 1.00 0.00 C ATOM 878 CG GLU A 57 91.276 8.742 18.466 1.00 0.00 C ATOM 879 CD GLU A 57 90.671 8.139 19.720 1.00 0.00 C ATOM 880 OE1 GLU A 57 91.049 7.004 20.075 1.00 0.00 O ATOM 881 OE2 GLU A 57 89.819 8.805 20.345 1.00 0.00 O ATOM 0 H GLU A 57 92.907 5.853 18.078 1.00 0.00 H new ATOM 0 HA GLU A 57 90.715 5.996 17.753 1.00 0.00 H new ATOM 0 HB2 GLU A 57 91.117 8.648 16.335 1.00 0.00 H new ATOM 0 HB3 GLU A 57 89.690 8.091 17.187 1.00 0.00 H new ATOM 0 HG2 GLU A 57 92.362 8.660 18.515 1.00 0.00 H new ATOM 0 HG3 GLU A 57 91.038 9.805 18.427 1.00 0.00 H new ATOM 888 N LYS A 58 89.674 6.107 15.274 1.00 0.00 N ATOM 889 CA LYS A 58 89.254 5.651 13.954 1.00 0.00 C ATOM 890 C LYS A 58 89.880 6.507 12.855 1.00 0.00 C ATOM 891 O LYS A 58 90.869 6.111 12.238 1.00 0.00 O ATOM 892 CB LYS A 58 87.727 5.677 13.844 1.00 0.00 C ATOM 893 CG LYS A 58 87.205 5.266 12.477 1.00 0.00 C ATOM 894 CD LYS A 58 85.692 5.385 12.399 1.00 0.00 C ATOM 895 CE LYS A 58 85.212 5.456 10.958 1.00 0.00 C ATOM 896 NZ LYS A 58 83.777 5.839 10.868 1.00 0.00 N ATOM 0 H LYS A 58 88.909 6.403 15.881 1.00 0.00 H new ATOM 0 HA LYS A 58 89.599 4.625 13.823 1.00 0.00 H new ATOM 0 HB2 LYS A 58 87.306 5.012 14.599 1.00 0.00 H new ATOM 0 HB3 LYS A 58 87.372 6.682 14.071 1.00 0.00 H new ATOM 0 HG2 LYS A 58 87.660 5.892 11.709 1.00 0.00 H new ATOM 0 HG3 LYS A 58 87.501 4.238 12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 58 85.233 4.530 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 58 85.368 6.277 12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 58 85.816 6.179 10.410 1.00 0.00 H new ATOM 0 HE3 LYS A 58 85.360 4.489 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 83.490 5.876 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 83.198 5.135 11.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 83.639 6.774 11.303 1.00 0.00 H new ATOM 910 N LEU A 59 89.299 7.680 12.613 1.00 0.00 N ATOM 911 CA LEU A 59 89.803 8.588 11.586 1.00 0.00 C ATOM 912 C LEU A 59 89.983 7.864 10.253 1.00 0.00 C ATOM 913 O LEU A 59 91.106 7.657 9.794 1.00 0.00 O ATOM 914 CB LEU A 59 91.129 9.209 12.030 1.00 0.00 C ATOM 915 CG LEU A 59 91.009 10.568 12.721 1.00 0.00 C ATOM 916 CD1 LEU A 59 90.687 10.389 14.197 1.00 0.00 C ATOM 917 CD2 LEU A 59 92.289 11.369 12.547 1.00 0.00 C ATOM 0 H LEU A 59 88.480 8.024 13.114 1.00 0.00 H new ATOM 0 HA LEU A 59 89.068 9.381 11.447 1.00 0.00 H new ATOM 0 HB2 LEU A 59 91.628 8.517 12.708 1.00 0.00 H new ATOM 0 HB3 LEU A 59 91.772 9.318 11.157 1.00 0.00 H new ATOM 0 HG LEU A 59 90.192 11.120 12.256 1.00 0.00 H new ATOM 0 HD11 LEU A 59 90.605 11.366 14.673 1.00 0.00 H new ATOM 0 HD12 LEU A 59 89.743 9.855 14.301 1.00 0.00 H new ATOM 0 HD13 LEU A 59 91.482 9.818 14.676 1.00 0.00 H new ATOM 0 HD21 LEU A 59 92.185 12.333 13.045 1.00 0.00 H new ATOM 0 HD22 LEU A 59 93.123 10.822 12.986 1.00 0.00 H new ATOM 0 HD23 LEU A 59 92.477 11.528 11.485 1.00 0.00 H new ATOM 929 N SER A 60 88.869 7.482 9.637 1.00 0.00 N ATOM 930 CA SER A 60 88.906 6.780 8.359 1.00 0.00 C ATOM 931 C SER A 60 87.933 7.407 7.366 1.00 0.00 C ATOM 932 O SER A 60 87.320 6.710 6.557 1.00 0.00 O ATOM 933 CB SER A 60 88.566 5.301 8.555 1.00 0.00 C ATOM 934 OG SER A 60 87.205 5.133 8.913 1.00 0.00 O ATOM 0 H SER A 60 87.931 7.646 10.001 1.00 0.00 H new ATOM 0 HA SER A 60 89.915 6.865 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 60 88.774 4.752 7.637 1.00 0.00 H new ATOM 0 HB3 SER A 60 89.204 4.878 9.331 1.00 0.00 H new ATOM 0 HG SER A 60 87.013 4.179 9.031 1.00 0.00 H new ATOM 940 N THR A 61 87.796 8.728 7.432 1.00 0.00 N ATOM 941 CA THR A 61 86.897 9.448 6.538 1.00 0.00 C ATOM 942 C THR A 61 87.260 10.927 6.469 1.00 0.00 C ATOM 943 O THR A 61 87.931 11.455 7.356 1.00 0.00 O ATOM 944 CB THR A 61 85.429 9.310 6.987 1.00 0.00 C ATOM 945 OG1 THR A 61 85.369 9.073 8.398 1.00 0.00 O ATOM 946 CG2 THR A 61 84.743 8.170 6.247 1.00 0.00 C ATOM 0 H THR A 61 88.296 9.321 8.095 1.00 0.00 H new ATOM 0 HA THR A 61 87.009 9.003 5.549 1.00 0.00 H new ATOM 0 HB THR A 61 84.911 10.240 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 61 84.433 8.988 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 61 83.708 8.091 6.580 1.00 0.00 H new ATOM 0 HG22 THR A 61 84.766 8.366 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 61 85.264 7.235 6.456 1.00 0.00 H new ATOM 954 N LEU A 62 86.812 11.591 5.407 1.00 0.00 N ATOM 955 CA LEU A 62 87.090 13.011 5.221 1.00 0.00 C ATOM 956 C LEU A 62 86.512 13.832 6.372 1.00 0.00 C ATOM 957 O LEU A 62 87.139 14.780 6.847 1.00 0.00 O ATOM 958 CB LEU A 62 86.512 13.493 3.888 1.00 0.00 C ATOM 959 CG LEU A 62 87.552 13.827 2.816 1.00 0.00 C ATOM 960 CD1 LEU A 62 86.871 14.267 1.529 1.00 0.00 C ATOM 961 CD2 LEU A 62 88.501 14.906 3.315 1.00 0.00 C ATOM 0 H LEU A 62 86.256 11.169 4.663 1.00 0.00 H new ATOM 0 HA LEU A 62 88.171 13.149 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 62 85.845 12.724 3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 62 85.904 14.379 4.072 1.00 0.00 H new ATOM 0 HG LEU A 62 88.132 12.928 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 62 87.627 14.500 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 62 86.232 13.464 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 62 86.266 15.153 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 62 89.234 15.132 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 87.935 15.807 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 62 89.015 14.554 4.209 1.00 0.00 H new ATOM 973 N SER A 63 85.315 13.462 6.814 1.00 0.00 N ATOM 974 CA SER A 63 84.655 14.163 7.910 1.00 0.00 C ATOM 975 C SER A 63 83.414 13.404 8.370 1.00 0.00 C ATOM 976 O SER A 63 83.362 12.904 9.493 1.00 0.00 O ATOM 977 CB SER A 63 84.270 15.579 7.476 1.00 0.00 C ATOM 978 OG SER A 63 85.242 16.522 7.892 1.00 0.00 O ATOM 0 H SER A 63 84.782 12.681 6.431 1.00 0.00 H new ATOM 0 HA SER A 63 85.353 14.223 8.745 1.00 0.00 H new ATOM 0 HB2 SER A 63 84.165 15.614 6.392 1.00 0.00 H new ATOM 0 HB3 SER A 63 83.300 15.841 7.899 1.00 0.00 H new ATOM 0 HG SER A 63 86.136 16.195 7.658 1.00 0.00 H new ATOM 984 N HIS A 64 82.417 13.324 7.494 1.00 0.00 N ATOM 985 CA HIS A 64 81.176 12.628 7.809 1.00 0.00 C ATOM 986 C HIS A 64 80.866 11.568 6.757 1.00 0.00 C ATOM 987 O HIS A 64 81.134 11.759 5.571 1.00 0.00 O ATOM 988 CB HIS A 64 80.019 13.625 7.901 1.00 0.00 C ATOM 989 CG HIS A 64 79.773 14.372 6.627 1.00 0.00 C ATOM 990 ND1 HIS A 64 80.033 15.719 6.482 1.00 0.00 N ATOM 991 CD2 HIS A 64 79.288 13.954 5.434 1.00 0.00 C ATOM 992 CE1 HIS A 64 79.718 16.096 5.256 1.00 0.00 C ATOM 993 NE2 HIS A 64 79.265 15.044 4.600 1.00 0.00 N ATOM 0 H HIS A 64 82.445 13.733 6.560 1.00 0.00 H new ATOM 0 HA HIS A 64 81.299 12.133 8.772 1.00 0.00 H new ATOM 0 HB2 HIS A 64 79.111 13.091 8.181 1.00 0.00 H new ATOM 0 HB3 HIS A 64 80.228 14.339 8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 64 78.977 12.950 5.185 1.00 0.00 H new ATOM 0 HE1 HIS A 64 79.815 17.095 4.858 1.00 0.00 H new ATOM 0 HE2 HIS A 64 78.949 15.041 3.630 1.00 0.00 H new ATOM 1001 N SER A 65 80.298 10.452 7.200 1.00 0.00 N ATOM 1002 CA SER A 65 79.949 9.361 6.298 1.00 0.00 C ATOM 1003 C SER A 65 78.993 8.383 6.971 1.00 0.00 C ATOM 1004 O SER A 65 79.404 7.560 7.789 1.00 0.00 O ATOM 1005 CB SER A 65 81.211 8.625 5.842 1.00 0.00 C ATOM 1006 OG SER A 65 81.064 8.128 4.523 1.00 0.00 O ATOM 0 H SER A 65 80.069 10.279 8.179 1.00 0.00 H new ATOM 0 HA SER A 65 79.450 9.788 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 65 82.065 9.300 5.886 1.00 0.00 H new ATOM 0 HB3 SER A 65 81.421 7.800 6.523 1.00 0.00 H new ATOM 0 HG SER A 65 81.884 7.664 4.255 1.00 0.00 H new ATOM 1012 N TRP A 66 77.714 8.479 6.624 1.00 0.00 N ATOM 1013 CA TRP A 66 76.698 7.602 7.196 1.00 0.00 C ATOM 1014 C TRP A 66 75.531 7.416 6.232 1.00 0.00 C ATOM 1015 O TRP A 66 74.674 8.290 6.102 1.00 0.00 O ATOM 1016 CB TRP A 66 76.193 8.173 8.523 1.00 0.00 C ATOM 1017 CG TRP A 66 75.211 7.280 9.219 1.00 0.00 C ATOM 1018 CD1 TRP A 66 75.478 6.092 9.838 1.00 0.00 C ATOM 1019 CD2 TRP A 66 73.803 7.502 9.366 1.00 0.00 C ATOM 1020 NE1 TRP A 66 74.323 5.563 10.360 1.00 0.00 N ATOM 1021 CE2 TRP A 66 73.282 6.409 10.085 1.00 0.00 C ATOM 1022 CE3 TRP A 66 72.933 8.519 8.961 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 71.930 6.306 10.406 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 71.593 8.415 9.281 1.00 0.00 C ATOM 1025 CH2 TRP A 66 71.103 7.315 9.999 1.00 0.00 C ATOM 0 H TRP A 66 77.356 9.155 5.949 1.00 0.00 H new ATOM 0 HA TRP A 66 77.154 6.628 7.375 1.00 0.00 H new ATOM 0 HB2 TRP A 66 77.043 8.349 9.182 1.00 0.00 H new ATOM 0 HB3 TRP A 66 75.726 9.141 8.340 1.00 0.00 H new ATOM 0 HD1 TRP A 66 76.454 5.636 9.907 1.00 0.00 H new ATOM 0 HE1 TRP A 66 74.252 4.682 10.870 1.00 0.00 H new ATOM 0 HE3 TRP A 66 73.302 9.370 8.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 71.549 5.459 10.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 70.912 9.194 8.973 1.00 0.00 H new ATOM 0 HH2 TRP A 66 70.050 7.264 10.235 1.00 0.00 H new ATOM 1036 N SER A 67 75.503 6.271 5.558 1.00 0.00 N ATOM 1037 CA SER A 67 74.439 5.969 4.607 1.00 0.00 C ATOM 1038 C SER A 67 74.428 4.485 4.258 1.00 0.00 C ATOM 1039 O SER A 67 73.394 3.823 4.350 1.00 0.00 O ATOM 1040 CB SER A 67 74.613 6.802 3.335 1.00 0.00 C ATOM 1041 OG SER A 67 73.548 6.576 2.428 1.00 0.00 O ATOM 0 H SER A 67 76.205 5.537 5.653 1.00 0.00 H new ATOM 0 HA SER A 67 73.486 6.222 5.072 1.00 0.00 H new ATOM 0 HB2 SER A 67 74.657 7.860 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 67 75.560 6.550 2.858 1.00 0.00 H new ATOM 0 HG SER A 67 73.682 7.121 1.624 1.00 0.00 H new ATOM 1047 N GLN A 68 75.584 3.967 3.857 1.00 0.00 N ATOM 1048 CA GLN A 68 75.709 2.561 3.495 1.00 0.00 C ATOM 1049 C GLN A 68 77.061 2.006 3.935 1.00 0.00 C ATOM 1050 O GLN A 68 77.702 1.249 3.207 1.00 0.00 O ATOM 1051 CB GLN A 68 75.536 2.385 1.984 1.00 0.00 C ATOM 1052 CG GLN A 68 74.703 1.171 1.604 1.00 0.00 C ATOM 1053 CD GLN A 68 73.275 1.532 1.247 1.00 0.00 C ATOM 1054 OE1 GLN A 68 73.029 2.268 0.290 1.00 0.00 O ATOM 1055 NE2 GLN A 68 72.323 1.015 2.015 1.00 0.00 N ATOM 0 H GLN A 68 76.449 4.501 3.775 1.00 0.00 H new ATOM 0 HA GLN A 68 74.924 2.006 4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 68 75.067 3.280 1.574 1.00 0.00 H new ATOM 0 HB3 GLN A 68 76.519 2.300 1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 68 75.169 0.666 0.758 1.00 0.00 H new ATOM 0 HG3 GLN A 68 74.698 0.464 2.434 1.00 0.00 H new ATOM 0 HE21 GLN A 68 72.572 0.410 2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 68 71.343 1.223 1.822 1.00 0.00 H new ATOM 1064 N VAL A 69 77.486 2.391 5.134 1.00 0.00 N ATOM 1065 CA VAL A 69 78.762 1.937 5.676 1.00 0.00 C ATOM 1066 C VAL A 69 78.738 0.441 5.971 1.00 0.00 C ATOM 1067 O VAL A 69 79.769 -0.229 5.914 1.00 0.00 O ATOM 1068 CB VAL A 69 79.122 2.696 6.967 1.00 0.00 C ATOM 1069 CG1 VAL A 69 79.493 4.137 6.655 1.00 0.00 C ATOM 1070 CG2 VAL A 69 77.969 2.638 7.960 1.00 0.00 C ATOM 0 H VAL A 69 76.965 3.016 5.749 1.00 0.00 H new ATOM 0 HA VAL A 69 79.517 2.141 4.917 1.00 0.00 H new ATOM 0 HB VAL A 69 79.987 2.213 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 69 79.744 4.656 7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 69 80.352 4.154 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 69 78.649 4.635 6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 69 78.241 3.179 8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 69 77.084 3.094 7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 69 77.755 1.599 8.209 1.00 0.00 H new ATOM 1080 N VAL A 70 77.556 -0.078 6.286 1.00 0.00 N ATOM 1081 CA VAL A 70 77.400 -1.495 6.592 1.00 0.00 C ATOM 1082 C VAL A 70 77.606 -2.356 5.349 1.00 0.00 C ATOM 1083 O VAL A 70 78.072 -3.493 5.440 1.00 0.00 O ATOM 1084 CB VAL A 70 76.007 -1.792 7.183 1.00 0.00 C ATOM 1085 CG1 VAL A 70 75.917 -3.239 7.642 1.00 0.00 C ATOM 1086 CG2 VAL A 70 75.702 -0.841 8.330 1.00 0.00 C ATOM 0 H VAL A 70 76.692 0.462 6.336 1.00 0.00 H new ATOM 0 HA VAL A 70 78.162 -1.743 7.331 1.00 0.00 H new ATOM 0 HB VAL A 70 75.261 -1.637 6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.927 -3.429 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 70 76.088 -3.901 6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 70 76.671 -3.426 8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.715 -1.065 8.735 1.00 0.00 H new ATOM 0 HG22 VAL A 70 76.452 -0.962 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 70 75.720 0.186 7.966 1.00 0.00 H new ATOM 1096 N ASP A 71 77.256 -1.809 4.190 1.00 0.00 N ATOM 1097 CA ASP A 71 77.401 -2.531 2.930 1.00 0.00 C ATOM 1098 C ASP A 71 78.864 -2.602 2.505 1.00 0.00 C ATOM 1099 O ASP A 71 79.375 -3.674 2.182 1.00 0.00 O ATOM 1100 CB ASP A 71 76.571 -1.858 1.836 1.00 0.00 C ATOM 1101 CG ASP A 71 76.293 -2.786 0.669 1.00 0.00 C ATOM 1102 OD1 ASP A 71 77.260 -3.355 0.120 1.00 0.00 O ATOM 1103 OD2 ASP A 71 75.109 -2.944 0.305 1.00 0.00 O ATOM 0 H ASP A 71 76.870 -0.869 4.096 1.00 0.00 H new ATOM 0 HA ASP A 71 77.038 -3.548 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 71 75.626 -1.517 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 71 77.097 -0.974 1.476 1.00 0.00 H new ATOM 1108 N VAL A 72 79.534 -1.453 2.508 1.00 0.00 N ATOM 1109 CA VAL A 72 80.938 -1.386 2.120 1.00 0.00 C ATOM 1110 C VAL A 72 81.799 -2.288 2.998 1.00 0.00 C ATOM 1111 O VAL A 72 82.845 -2.774 2.568 1.00 0.00 O ATOM 1112 CB VAL A 72 81.476 0.056 2.203 1.00 0.00 C ATOM 1113 CG1 VAL A 72 82.858 0.147 1.575 1.00 0.00 C ATOM 1114 CG2 VAL A 72 80.514 1.026 1.536 1.00 0.00 C ATOM 0 H VAL A 72 79.127 -0.557 2.775 1.00 0.00 H new ATOM 0 HA VAL A 72 80.995 -1.730 1.087 1.00 0.00 H new ATOM 0 HB VAL A 72 81.561 0.332 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 72 83.222 1.172 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 72 83.542 -0.517 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 72 82.802 -0.149 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 72 80.912 2.038 1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 72 80.393 0.755 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 72 79.547 0.981 2.037 1.00 0.00 H new ATOM 1124 N SER A 73 81.356 -2.508 4.232 1.00 0.00 N ATOM 1125 CA SER A 73 82.086 -3.353 5.169 1.00 0.00 C ATOM 1126 C SER A 73 82.235 -4.775 4.629 1.00 0.00 C ATOM 1127 O SER A 73 83.127 -5.514 5.045 1.00 0.00 O ATOM 1128 CB SER A 73 81.372 -3.382 6.522 1.00 0.00 C ATOM 1129 OG SER A 73 82.114 -4.121 7.476 1.00 0.00 O ATOM 0 H SER A 73 80.494 -2.112 4.606 1.00 0.00 H new ATOM 0 HA SER A 73 83.082 -2.930 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 73 81.225 -2.363 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.383 -3.824 6.405 1.00 0.00 H new ATOM 0 HG SER A 73 81.637 -4.123 8.332 1.00 0.00 H new ATOM 1135 N GLU A 74 81.357 -5.151 3.705 1.00 0.00 N ATOM 1136 CA GLU A 74 81.392 -6.485 3.115 1.00 0.00 C ATOM 1137 C GLU A 74 82.525 -6.610 2.100 1.00 0.00 C ATOM 1138 O GLU A 74 83.317 -7.553 2.154 1.00 0.00 O ATOM 1139 CB GLU A 74 80.054 -6.798 2.442 1.00 0.00 C ATOM 1140 CG GLU A 74 78.859 -6.663 3.372 1.00 0.00 C ATOM 1141 CD GLU A 74 77.536 -6.777 2.641 1.00 0.00 C ATOM 1142 OE1 GLU A 74 77.506 -7.407 1.563 1.00 0.00 O ATOM 1143 OE2 GLU A 74 76.530 -6.235 3.146 1.00 0.00 O ATOM 0 H GLU A 74 80.613 -4.551 3.348 1.00 0.00 H new ATOM 0 HA GLU A 74 81.570 -7.203 3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 74 79.919 -6.130 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 74 80.084 -7.814 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 74 78.913 -7.434 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 74 78.907 -5.701 3.882 1.00 0.00 H new ATOM 1150 N VAL A 75 82.600 -5.657 1.178 1.00 0.00 N ATOM 1151 CA VAL A 75 83.634 -5.668 0.150 1.00 0.00 C ATOM 1152 C VAL A 75 85.030 -5.645 0.764 1.00 0.00 C ATOM 1153 O VAL A 75 85.991 -6.124 0.160 1.00 0.00 O ATOM 1154 CB VAL A 75 83.489 -4.471 -0.810 1.00 0.00 C ATOM 1155 CG1 VAL A 75 82.196 -4.578 -1.604 1.00 0.00 C ATOM 1156 CG2 VAL A 75 83.546 -3.159 -0.044 1.00 0.00 C ATOM 0 H VAL A 75 81.957 -4.867 1.121 1.00 0.00 H new ATOM 0 HA VAL A 75 83.504 -6.593 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 75 84.323 -4.490 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 75 82.110 -3.725 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 75 82.202 -5.500 -2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 75 81.348 -4.587 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 75 83.442 -2.327 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 75 82.735 -3.127 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 75 84.502 -3.081 0.474 1.00 0.00 H new ATOM 1166 N LEU A 76 85.138 -5.088 1.965 1.00 0.00 N ATOM 1167 CA LEU A 76 86.421 -5.005 2.655 1.00 0.00 C ATOM 1168 C LEU A 76 86.877 -6.382 3.127 1.00 0.00 C ATOM 1169 O LEU A 76 87.992 -6.812 2.832 1.00 0.00 O ATOM 1170 CB LEU A 76 86.324 -4.047 3.843 1.00 0.00 C ATOM 1171 CG LEU A 76 86.847 -2.635 3.578 1.00 0.00 C ATOM 1172 CD1 LEU A 76 86.033 -1.963 2.483 1.00 0.00 C ATOM 1173 CD2 LEU A 76 86.816 -1.807 4.854 1.00 0.00 C ATOM 0 H LEU A 76 84.354 -4.688 2.481 1.00 0.00 H new ATOM 0 HA LEU A 76 87.160 -4.623 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 76 85.281 -3.980 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 76 86.878 -4.472 4.680 1.00 0.00 H new ATOM 0 HG LEU A 76 87.881 -2.707 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 76 86.419 -0.959 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 76 86.107 -2.546 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 76 84.989 -1.902 2.791 1.00 0.00 H new ATOM 0 HD21 LEU A 76 87.192 -0.805 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 76 85.792 -1.742 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 76 87.443 -2.280 5.610 1.00 0.00 H new ATOM 1185 N ARG A 77 86.010 -7.070 3.864 1.00 0.00 N ATOM 1186 CA ARG A 77 86.328 -8.397 4.376 1.00 0.00 C ATOM 1187 C ARG A 77 86.597 -9.368 3.230 1.00 0.00 C ATOM 1188 O ARG A 77 87.541 -10.157 3.281 1.00 0.00 O ATOM 1189 CB ARG A 77 85.185 -8.922 5.246 1.00 0.00 C ATOM 1190 CG ARG A 77 84.826 -7.997 6.398 1.00 0.00 C ATOM 1191 CD ARG A 77 85.831 -8.100 7.534 1.00 0.00 C ATOM 1192 NE ARG A 77 85.719 -9.369 8.254 1.00 0.00 N ATOM 1193 CZ ARG A 77 86.454 -10.448 7.985 1.00 0.00 C ATOM 1194 NH1 ARG A 77 87.350 -10.428 7.005 1.00 0.00 N ATOM 1195 NH2 ARG A 77 86.289 -11.553 8.699 1.00 0.00 N ATOM 0 H ARG A 77 85.083 -6.730 4.119 1.00 0.00 H new ATOM 0 HA ARG A 77 87.229 -8.318 4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 77 84.304 -9.072 4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 77 85.462 -9.897 5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 77 84.785 -6.968 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 77 83.831 -8.245 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 77 86.840 -7.998 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 77 85.678 -7.274 8.229 1.00 0.00 H new ATOM 0 HE ARG A 77 85.036 -9.432 9.009 1.00 0.00 H new ATOM 0 HH11 ARG A 77 87.481 -9.582 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 77 87.908 -11.259 6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 77 85.601 -11.576 9.452 1.00 0.00 H new ATOM 0 HH22 ARG A 77 86.850 -12.380 8.495 1.00 0.00 H new ATOM 1209 N ASP A 78 85.761 -9.305 2.199 1.00 0.00 N ATOM 1210 CA ASP A 78 85.910 -10.177 1.041 1.00 0.00 C ATOM 1211 C ASP A 78 87.143 -9.794 0.230 1.00 0.00 C ATOM 1212 O ASP A 78 87.785 -8.779 0.500 1.00 0.00 O ATOM 1213 CB ASP A 78 84.661 -10.107 0.159 1.00 0.00 C ATOM 1214 CG ASP A 78 83.609 -11.121 0.562 1.00 0.00 C ATOM 1215 OD1 ASP A 78 83.946 -12.064 1.309 1.00 0.00 O ATOM 1216 OD2 ASP A 78 82.446 -10.973 0.130 1.00 0.00 O ATOM 0 H ASP A 78 84.974 -8.659 2.142 1.00 0.00 H new ATOM 0 HA ASP A 78 86.035 -11.199 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 78 84.236 -9.105 0.216 1.00 0.00 H new ATOM 0 HB3 ASP A 78 84.944 -10.275 -0.880 1.00 0.00 H new ATOM 1221 N GLY A 79 87.468 -10.611 -0.767 1.00 0.00 N ATOM 1222 CA GLY A 79 88.624 -10.339 -1.600 1.00 0.00 C ATOM 1223 C GLY A 79 88.261 -9.602 -2.875 1.00 0.00 C ATOM 1224 O GLY A 79 88.856 -9.839 -3.927 1.00 0.00 O ATOM 0 H GLY A 79 86.952 -11.456 -1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 79 89.344 -9.747 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 79 89.114 -11.279 -1.854 1.00 0.00 H new ATOM 1228 N THR A 80 87.283 -8.707 -2.783 1.00 0.00 N ATOM 1229 CA THR A 80 86.841 -7.934 -3.937 1.00 0.00 C ATOM 1230 C THR A 80 87.538 -6.576 -3.989 1.00 0.00 C ATOM 1231 O THR A 80 87.890 -6.013 -2.952 1.00 0.00 O ATOM 1232 CB THR A 80 85.316 -7.717 -3.918 1.00 0.00 C ATOM 1233 OG1 THR A 80 84.839 -7.708 -2.569 1.00 0.00 O ATOM 1234 CG2 THR A 80 84.603 -8.808 -4.705 1.00 0.00 C ATOM 0 H THR A 80 86.781 -8.499 -1.920 1.00 0.00 H new ATOM 0 HA THR A 80 87.106 -8.510 -4.824 1.00 0.00 H new ATOM 0 HB THR A 80 85.103 -6.755 -4.385 1.00 0.00 H new ATOM 0 HG1 THR A 80 83.869 -7.568 -2.566 1.00 0.00 H new ATOM 0 HG21 THR A 80 83.527 -8.633 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 80 84.946 -8.794 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 80 84.824 -9.779 -4.263 1.00 0.00 H new ATOM 1242 N PRO A 81 87.745 -6.034 -5.201 1.00 0.00 N ATOM 1243 CA PRO A 81 88.404 -4.736 -5.383 1.00 0.00 C ATOM 1244 C PRO A 81 87.540 -3.573 -4.912 1.00 0.00 C ATOM 1245 O PRO A 81 86.493 -3.773 -4.295 1.00 0.00 O ATOM 1246 CB PRO A 81 88.626 -4.660 -6.894 1.00 0.00 C ATOM 1247 CG PRO A 81 87.563 -5.526 -7.475 1.00 0.00 C ATOM 1248 CD PRO A 81 87.353 -6.640 -6.486 1.00 0.00 C ATOM 0 HA PRO A 81 89.321 -4.661 -4.799 1.00 0.00 H new ATOM 0 HB2 PRO A 81 88.544 -3.635 -7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 81 89.620 -5.015 -7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 81 86.643 -4.963 -7.631 1.00 0.00 H new ATOM 0 HG3 PRO A 81 87.866 -5.918 -8.446 1.00 0.00 H new ATOM 0 HD2 PRO A 81 86.316 -6.975 -6.472 1.00 0.00 H new ATOM 0 HD3 PRO A 81 87.966 -7.509 -6.724 1.00 0.00 H new ATOM 1256 N ARG A 82 87.984 -2.356 -5.208 1.00 0.00 N ATOM 1257 CA ARG A 82 87.254 -1.157 -4.814 1.00 0.00 C ATOM 1258 C ARG A 82 87.489 -0.023 -5.808 1.00 0.00 C ATOM 1259 O ARG A 82 88.542 0.054 -6.440 1.00 0.00 O ATOM 1260 CB ARG A 82 87.674 -0.717 -3.410 1.00 0.00 C ATOM 1261 CG ARG A 82 86.568 -0.018 -2.635 1.00 0.00 C ATOM 1262 CD ARG A 82 85.471 -0.989 -2.229 1.00 0.00 C ATOM 1263 NE ARG A 82 84.235 -0.299 -1.868 1.00 0.00 N ATOM 1264 CZ ARG A 82 83.335 0.126 -2.753 1.00 0.00 C ATOM 1265 NH1 ARG A 82 83.531 -0.060 -4.052 1.00 0.00 N ATOM 1266 NH2 ARG A 82 82.235 0.740 -2.336 1.00 0.00 N ATOM 0 H ARG A 82 88.847 -2.174 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 82 86.190 -1.395 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 82 88.004 -1.591 -2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 82 88.530 -0.047 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.987 0.452 -1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 82 86.142 0.779 -3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 82 85.275 -1.678 -3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 82 85.812 -1.588 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 82 84.050 -0.133 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 82 84.375 -0.531 -4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 82 82.838 0.268 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 82 82.079 0.886 -1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 82 81.545 1.066 -3.013 1.00 0.00 H new ATOM 1280 N ARG A 83 86.499 0.854 -5.941 1.00 0.00 N ATOM 1281 CA ARG A 83 86.594 1.985 -6.857 1.00 0.00 C ATOM 1282 C ARG A 83 86.973 3.257 -6.104 1.00 0.00 C ATOM 1283 O ARG A 83 86.648 3.411 -4.927 1.00 0.00 O ATOM 1284 CB ARG A 83 85.266 2.188 -7.592 1.00 0.00 C ATOM 1285 CG ARG A 83 85.176 1.429 -8.906 1.00 0.00 C ATOM 1286 CD ARG A 83 84.655 0.017 -8.701 1.00 0.00 C ATOM 1287 NE ARG A 83 83.837 -0.433 -9.826 1.00 0.00 N ATOM 1288 CZ ARG A 83 82.650 0.084 -10.133 1.00 0.00 C ATOM 1289 NH1 ARG A 83 82.137 1.067 -9.403 1.00 0.00 N ATOM 1290 NH2 ARG A 83 81.974 -0.382 -11.174 1.00 0.00 N ATOM 0 H ARG A 83 85.621 0.803 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 83 87.373 1.768 -7.588 1.00 0.00 H new ATOM 0 HB2 ARG A 83 84.449 1.872 -6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 83 85.126 3.251 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 83 84.519 1.964 -9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 83 86.160 1.390 -9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 83 85.496 -0.664 -8.569 1.00 0.00 H new ATOM 0 HD3 ARG A 83 84.065 -0.023 -7.785 1.00 0.00 H new ATOM 0 HE ARG A 83 84.197 -1.188 -10.410 1.00 0.00 H new ATOM 0 HH11 ARG A 83 82.653 1.430 -8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 83 81.227 1.459 -9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 83 82.364 -1.136 -11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 83 81.064 0.014 -11.410 1.00 0.00 H new ATOM 1304 N ASP A 84 87.662 4.166 -6.789 1.00 0.00 N ATOM 1305 CA ASP A 84 88.089 5.419 -6.172 1.00 0.00 C ATOM 1306 C ASP A 84 87.155 6.564 -6.534 1.00 0.00 C ATOM 1307 O ASP A 84 86.537 6.573 -7.599 1.00 0.00 O ATOM 1308 CB ASP A 84 89.523 5.781 -6.568 1.00 0.00 C ATOM 1309 CG ASP A 84 89.873 5.357 -7.982 1.00 0.00 C ATOM 1310 OD1 ASP A 84 89.206 5.827 -8.927 1.00 0.00 O ATOM 1311 OD2 ASP A 84 90.815 4.553 -8.144 1.00 0.00 O ATOM 0 H ASP A 84 87.935 4.060 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 84 88.053 5.265 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 84 89.659 6.858 -6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 84 90.216 5.310 -5.871 1.00 0.00 H new ATOM 1316 N GLU A 85 87.064 7.527 -5.628 1.00 0.00 N ATOM 1317 CA GLU A 85 86.203 8.688 -5.811 1.00 0.00 C ATOM 1318 C GLU A 85 87.023 9.966 -5.971 1.00 0.00 C ATOM 1319 O GLU A 85 88.122 10.084 -5.429 1.00 0.00 O ATOM 1320 CB GLU A 85 85.264 8.830 -4.614 1.00 0.00 C ATOM 1321 CG GLU A 85 85.918 8.478 -3.284 1.00 0.00 C ATOM 1322 CD GLU A 85 85.743 9.564 -2.241 1.00 0.00 C ATOM 1323 OE1 GLU A 85 84.595 9.779 -1.796 1.00 0.00 O ATOM 1324 OE2 GLU A 85 86.752 10.199 -1.869 1.00 0.00 O ATOM 0 H GLU A 85 87.582 7.527 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 85 85.622 8.537 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 85 84.897 9.856 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 85 84.396 8.188 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 85 85.492 7.548 -2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 85 86.982 8.300 -3.443 1.00 0.00 H new ATOM 1331 N GLU A 86 86.478 10.920 -6.717 1.00 0.00 N ATOM 1332 CA GLU A 86 87.153 12.193 -6.946 1.00 0.00 C ATOM 1333 C GLU A 86 86.509 13.306 -6.162 1.00 0.00 C ATOM 1334 O GLU A 86 85.529 13.922 -6.581 1.00 0.00 O ATOM 1335 CB GLU A 86 87.124 12.529 -8.438 1.00 0.00 C ATOM 1336 CG GLU A 86 87.949 13.749 -8.809 1.00 0.00 C ATOM 1337 CD GLU A 86 88.620 13.611 -10.163 1.00 0.00 C ATOM 1338 OE1 GLU A 86 89.246 12.558 -10.409 1.00 0.00 O ATOM 1339 OE2 GLU A 86 88.519 14.554 -10.974 1.00 0.00 O ATOM 0 H GLU A 86 85.570 10.836 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 86 88.185 12.095 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 86 87.489 11.670 -9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 86 86.091 12.694 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.306 14.629 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.710 13.914 -8.046 1.00 0.00 H new ATOM 1346 N ILE A 87 87.096 13.542 -5.009 1.00 0.00 N ATOM 1347 CA ILE A 87 86.737 14.650 -4.178 1.00 0.00 C ATOM 1348 C ILE A 87 87.965 15.495 -4.299 1.00 0.00 C ATOM 1349 O ILE A 87 88.936 15.297 -3.578 1.00 0.00 O ATOM 1350 CB ILE A 87 86.483 14.241 -2.704 1.00 0.00 C ATOM 1351 CG1 ILE A 87 85.003 13.916 -2.494 1.00 0.00 C ATOM 1352 CG2 ILE A 87 86.931 15.334 -1.737 1.00 0.00 C ATOM 1353 CD1 ILE A 87 84.687 12.442 -2.608 1.00 0.00 C ATOM 0 H ILE A 87 87.841 12.960 -4.626 1.00 0.00 H new ATOM 0 HA ILE A 87 85.807 15.135 -4.474 1.00 0.00 H new ATOM 0 HB ILE A 87 87.075 13.350 -2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 87 84.698 14.270 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.411 14.464 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 87 86.739 15.015 -0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 87 87.998 15.519 -1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 87 86.377 16.250 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.620 12.285 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 87 84.961 12.087 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 87 85.252 11.890 -1.857 1.00 0.00 H new ATOM 1365 N THR A 88 87.933 16.429 -5.212 1.00 0.00 N ATOM 1366 CA THR A 88 89.112 17.202 -5.480 1.00 0.00 C ATOM 1367 C THR A 88 88.974 18.647 -5.016 1.00 0.00 C ATOM 1368 O THR A 88 88.177 19.414 -5.556 1.00 0.00 O ATOM 1369 CB THR A 88 89.486 17.129 -6.977 1.00 0.00 C ATOM 1370 OG1 THR A 88 89.943 18.400 -7.455 1.00 0.00 O ATOM 1371 CG2 THR A 88 88.319 16.650 -7.820 1.00 0.00 C ATOM 0 H THR A 88 87.116 16.669 -5.774 1.00 0.00 H new ATOM 0 HA THR A 88 89.924 16.763 -4.901 1.00 0.00 H new ATOM 0 HB THR A 88 90.296 16.405 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.172 18.972 -7.651 1.00 0.00 H new ATOM 0 HG21 THR A 88 88.619 16.611 -8.867 1.00 0.00 H new ATOM 0 HG22 THR A 88 88.017 15.655 -7.492 1.00 0.00 H new ATOM 0 HG23 THR A 88 87.482 17.339 -7.707 1.00 0.00 H new ATOM 1379 N ILE A 89 89.761 19.008 -4.006 1.00 0.00 N ATOM 1380 CA ILE A 89 89.736 20.354 -3.449 1.00 0.00 C ATOM 1381 C ILE A 89 89.926 21.415 -4.532 1.00 0.00 C ATOM 1382 O ILE A 89 89.276 22.460 -4.509 1.00 0.00 O ATOM 1383 CB ILE A 89 90.822 20.527 -2.369 1.00 0.00 C ATOM 1384 CG1 ILE A 89 92.219 20.426 -2.990 1.00 0.00 C ATOM 1385 CG2 ILE A 89 90.647 19.482 -1.276 1.00 0.00 C ATOM 1386 CD1 ILE A 89 93.340 20.539 -1.980 1.00 0.00 C ATOM 0 H ILE A 89 90.428 18.381 -3.555 1.00 0.00 H new ATOM 0 HA ILE A 89 88.754 20.490 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 89 90.716 21.517 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 89 92.307 19.474 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 89 92.333 21.212 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.420 19.614 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 89 89.665 19.597 -0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.730 18.485 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 89 94.300 20.459 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 89 93.278 21.502 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 89 93.251 19.737 -1.247 1.00 0.00 H new ATOM 1398 N LYS A 90 90.820 21.139 -5.475 1.00 0.00 N ATOM 1399 CA LYS A 90 91.093 22.072 -6.564 1.00 0.00 C ATOM 1400 C LYS A 90 90.833 21.417 -7.918 1.00 0.00 C ATOM 1401 O LYS A 90 89.781 21.621 -8.523 1.00 0.00 O ATOM 1402 CB LYS A 90 92.538 22.571 -6.488 1.00 0.00 C ATOM 1403 CG LYS A 90 92.748 23.673 -5.462 1.00 0.00 C ATOM 1404 CD LYS A 90 92.034 24.954 -5.866 1.00 0.00 C ATOM 1405 CE LYS A 90 92.565 25.499 -7.182 1.00 0.00 C ATOM 1406 NZ LYS A 90 94.037 25.716 -7.140 1.00 0.00 N ATOM 0 H LYS A 90 91.367 20.279 -5.508 1.00 0.00 H new ATOM 0 HA LYS A 90 90.420 22.923 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 90 93.191 21.732 -6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 90 92.839 22.938 -7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 90 92.381 23.342 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 90 93.814 23.869 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 90 90.965 24.763 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 90 92.159 25.703 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 90 92.323 24.804 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 90 92.066 26.440 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 94.325 26.300 -7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 94.291 26.201 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 94.525 24.798 -7.184 1.00 0.00 H new ATOM 1420 N ASP A 91 91.797 20.632 -8.389 1.00 0.00 N ATOM 1421 CA ASP A 91 91.662 19.949 -9.671 1.00 0.00 C ATOM 1422 C ASP A 91 92.388 18.605 -9.661 1.00 0.00 C ATOM 1423 O ASP A 91 92.705 18.056 -10.716 1.00 0.00 O ATOM 1424 CB ASP A 91 92.204 20.829 -10.800 1.00 0.00 C ATOM 1425 CG ASP A 91 91.126 21.690 -11.428 1.00 0.00 C ATOM 1426 OD1 ASP A 91 90.382 21.175 -12.290 1.00 0.00 O ATOM 1427 OD2 ASP A 91 91.026 22.879 -11.060 1.00 0.00 O ATOM 0 H ASP A 91 92.677 20.453 -7.905 1.00 0.00 H new ATOM 0 HA ASP A 91 90.602 19.761 -9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 91 92.996 21.469 -10.410 1.00 0.00 H new ATOM 0 HB3 ASP A 91 92.653 20.197 -11.566 1.00 0.00 H new ATOM 1432 N ARG A 92 92.648 18.078 -8.468 1.00 0.00 N ATOM 1433 CA ARG A 92 93.324 16.794 -8.332 1.00 0.00 C ATOM 1434 C ARG A 92 92.296 15.666 -8.187 1.00 0.00 C ATOM 1435 O ARG A 92 91.687 15.258 -9.175 1.00 0.00 O ATOM 1436 CB ARG A 92 94.284 16.821 -7.138 1.00 0.00 C ATOM 1437 CG ARG A 92 95.607 17.507 -7.436 1.00 0.00 C ATOM 1438 CD ARG A 92 96.200 18.140 -6.187 1.00 0.00 C ATOM 1439 NE ARG A 92 97.168 19.185 -6.511 1.00 0.00 N ATOM 1440 CZ ARG A 92 97.903 19.823 -5.603 1.00 0.00 C ATOM 1441 NH1 ARG A 92 97.785 19.525 -4.315 1.00 0.00 N ATOM 1442 NH2 ARG A 92 98.760 20.761 -5.984 1.00 0.00 N ATOM 0 H ARG A 92 92.401 18.521 -7.583 1.00 0.00 H new ATOM 0 HA ARG A 92 93.910 16.606 -9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 92 93.800 17.330 -6.305 1.00 0.00 H new ATOM 0 HB3 ARG A 92 94.479 15.798 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 92 96.310 16.782 -7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 92 95.458 18.273 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 92 95.400 18.563 -5.580 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.684 17.371 -5.586 1.00 0.00 H new ATOM 0 HE ARG A 92 97.288 19.441 -7.491 1.00 0.00 H new ATOM 0 HH11 ARG A 92 97.128 18.804 -4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 92 98.351 20.017 -3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 92 98.856 20.993 -6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 92 99.323 21.250 -5.288 1.00 0.00 H new ATOM 1456 N LEU A 93 92.099 15.176 -6.957 1.00 0.00 N ATOM 1457 CA LEU A 93 91.136 14.103 -6.689 1.00 0.00 C ATOM 1458 C LEU A 93 91.464 13.407 -5.366 1.00 0.00 C ATOM 1459 O LEU A 93 92.583 12.931 -5.172 1.00 0.00 O ATOM 1460 CB LEU A 93 91.141 13.063 -7.815 1.00 0.00 C ATOM 1461 CG LEU A 93 92.530 12.682 -8.340 1.00 0.00 C ATOM 1462 CD1 LEU A 93 92.910 11.281 -7.882 1.00 0.00 C ATOM 1463 CD2 LEU A 93 92.573 12.777 -9.859 1.00 0.00 C ATOM 0 H LEU A 93 92.596 15.507 -6.130 1.00 0.00 H new ATOM 0 HA LEU A 93 90.147 14.557 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 93 90.644 12.161 -7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 93 90.548 13.446 -8.645 1.00 0.00 H new ATOM 0 HG LEU A 93 93.255 13.386 -7.931 1.00 0.00 H new ATOM 0 HD11 LEU A 93 93.899 11.029 -8.265 1.00 0.00 H new ATOM 0 HD12 LEU A 93 92.922 11.245 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 93 92.181 10.564 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 93 93.567 12.503 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 93 91.835 12.098 -10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 93 92.347 13.798 -10.166 1.00 0.00 H new ATOM 1475 N LEU A 94 90.491 13.347 -4.459 1.00 0.00 N ATOM 1476 CA LEU A 94 90.693 12.691 -3.167 1.00 0.00 C ATOM 1477 C LEU A 94 89.847 11.427 -3.068 1.00 0.00 C ATOM 1478 O LEU A 94 88.641 11.495 -2.836 1.00 0.00 O ATOM 1479 CB LEU A 94 90.341 13.630 -2.008 1.00 0.00 C ATOM 1480 CG LEU A 94 91.041 14.992 -2.026 1.00 0.00 C ATOM 1481 CD1 LEU A 94 90.221 16.023 -1.260 1.00 0.00 C ATOM 1482 CD2 LEU A 94 92.441 14.880 -1.443 1.00 0.00 C ATOM 0 H LEU A 94 89.560 13.742 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 94 91.748 12.426 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 94 89.264 13.795 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 94 90.584 13.129 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 94 91.127 15.322 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 94 90.733 16.985 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 94 89.239 16.123 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 94 90.104 15.699 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 94 92.923 15.857 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 94 92.379 14.528 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 94 93.026 14.174 -2.033 1.00 0.00 H new ATOM 1494 N LEU A 95 90.484 10.275 -3.246 1.00 0.00 N ATOM 1495 CA LEU A 95 89.781 8.999 -3.174 1.00 0.00 C ATOM 1496 C LEU A 95 90.122 8.261 -1.885 1.00 0.00 C ATOM 1497 O LEU A 95 91.170 7.624 -1.780 1.00 0.00 O ATOM 1498 CB LEU A 95 90.124 8.127 -4.383 1.00 0.00 C ATOM 1499 CG LEU A 95 91.619 7.862 -4.590 1.00 0.00 C ATOM 1500 CD1 LEU A 95 91.988 6.462 -4.118 1.00 0.00 C ATOM 1501 CD2 LEU A 95 91.997 8.051 -6.052 1.00 0.00 C ATOM 0 H LEU A 95 91.482 10.198 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 95 88.711 9.206 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 95 89.612 7.170 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.728 8.604 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 95 92.180 8.582 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 95 93.054 6.295 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 95 91.756 6.363 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 95 91.418 5.725 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 95 93.062 7.859 -6.180 1.00 0.00 H new ATOM 0 HD22 LEU A 95 91.426 7.356 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 95 91.774 9.074 -6.356 1.00 0.00 H new ATOM 1513 N ILE A 96 89.230 8.353 -0.906 1.00 0.00 N ATOM 1514 CA ILE A 96 89.432 7.693 0.378 1.00 0.00 C ATOM 1515 C ILE A 96 88.633 6.395 0.451 1.00 0.00 C ATOM 1516 O ILE A 96 87.431 6.409 0.715 1.00 0.00 O ATOM 1517 CB ILE A 96 89.023 8.608 1.550 1.00 0.00 C ATOM 1518 CG1 ILE A 96 89.779 9.937 1.477 1.00 0.00 C ATOM 1519 CG2 ILE A 96 89.281 7.921 2.883 1.00 0.00 C ATOM 1520 CD1 ILE A 96 89.276 10.865 0.391 1.00 0.00 C ATOM 0 H ILE A 96 88.359 8.879 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 96 90.495 7.469 0.462 1.00 0.00 H new ATOM 0 HB ILE A 96 87.955 8.811 1.471 1.00 0.00 H new ATOM 0 HG12 ILE A 96 89.701 10.443 2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 96 90.837 9.734 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 96 88.986 8.583 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 96 88.701 7.000 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 96 90.342 7.687 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 96 89.859 11.786 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 96 89.380 10.379 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 96 88.226 11.099 0.569 1.00 0.00 H new ATOM 1532 N ASN A 97 89.308 5.273 0.216 1.00 0.00 N ATOM 1533 CA ASN A 97 88.654 3.970 0.254 1.00 0.00 C ATOM 1534 C ASN A 97 89.627 2.874 0.679 1.00 0.00 C ATOM 1535 O ASN A 97 90.828 2.961 0.423 1.00 0.00 O ATOM 1536 CB ASN A 97 88.059 3.636 -1.114 1.00 0.00 C ATOM 1537 CG ASN A 97 87.064 4.681 -1.582 1.00 0.00 C ATOM 1538 OD1 ASN A 97 87.445 5.775 -2.001 1.00 0.00 O ATOM 1539 ND2 ASN A 97 85.779 4.350 -1.511 1.00 0.00 N ATOM 0 H ASN A 97 90.304 5.240 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 97 87.853 4.020 0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 97 88.862 3.550 -1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 97 87.566 2.665 -1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 97 85.064 5.013 -1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 97 85.507 3.433 -1.157 1.00 0.00 H new ATOM 1546 N THR A 98 89.098 1.842 1.328 1.00 0.00 N ATOM 1547 CA THR A 98 89.916 0.726 1.789 1.00 0.00 C ATOM 1548 C THR A 98 89.713 -0.501 0.903 1.00 0.00 C ATOM 1549 O THR A 98 88.597 -0.787 0.470 1.00 0.00 O ATOM 1550 CB THR A 98 89.585 0.354 3.247 1.00 0.00 C ATOM 1551 OG1 THR A 98 89.642 1.524 4.073 1.00 0.00 O ATOM 1552 CG2 THR A 98 90.555 -0.692 3.775 1.00 0.00 C ATOM 0 H THR A 98 88.106 1.755 1.547 1.00 0.00 H new ATOM 0 HA THR A 98 90.956 1.046 1.732 1.00 0.00 H new ATOM 0 HB THR A 98 88.578 -0.063 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 98 89.429 1.282 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 98 90.300 -0.937 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 98 90.490 -1.591 3.161 1.00 0.00 H new ATOM 0 HG23 THR A 98 91.571 -0.299 3.736 1.00 0.00 H new ATOM 1560 N VAL A 99 90.798 -1.223 0.637 1.00 0.00 N ATOM 1561 CA VAL A 99 90.734 -2.415 -0.200 1.00 0.00 C ATOM 1562 C VAL A 99 91.516 -3.572 0.418 1.00 0.00 C ATOM 1563 O VAL A 99 92.511 -3.358 1.110 1.00 0.00 O ATOM 1564 CB VAL A 99 91.282 -2.137 -1.613 1.00 0.00 C ATOM 1565 CG1 VAL A 99 90.442 -1.080 -2.315 1.00 0.00 C ATOM 1566 CG2 VAL A 99 92.742 -1.712 -1.546 1.00 0.00 C ATOM 0 H VAL A 99 91.730 -1.003 0.989 1.00 0.00 H new ATOM 0 HA VAL A 99 89.682 -2.692 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 99 91.222 -3.058 -2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 99 90.845 -0.898 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 99 89.413 -1.429 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 99 90.466 -0.155 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 99 93.112 -1.520 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 99 92.830 -0.805 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 99 93.332 -2.506 -1.088 1.00 0.00 H new ATOM 1576 N PRO A 100 91.074 -4.819 0.174 1.00 0.00 N ATOM 1577 CA PRO A 100 91.724 -6.012 0.694 1.00 0.00 C ATOM 1578 C PRO A 100 92.637 -6.672 -0.337 1.00 0.00 C ATOM 1579 O PRO A 100 92.173 -7.393 -1.220 1.00 0.00 O ATOM 1580 CB PRO A 100 90.524 -6.905 0.981 1.00 0.00 C ATOM 1581 CG PRO A 100 89.541 -6.574 -0.102 1.00 0.00 C ATOM 1582 CD PRO A 100 89.870 -5.179 -0.593 1.00 0.00 C ATOM 0 HA PRO A 100 92.369 -5.811 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 100 90.800 -7.959 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 100 90.108 -6.706 1.969 1.00 0.00 H new ATOM 0 HG2 PRO A 100 89.609 -7.295 -0.917 1.00 0.00 H new ATOM 0 HG3 PRO A 100 88.520 -6.618 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 100 90.059 -5.166 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 100 89.052 -4.484 -0.405 1.00 0.00 H new ATOM 1590 N VAL A 101 93.937 -6.422 -0.217 1.00 0.00 N ATOM 1591 CA VAL A 101 94.911 -6.991 -1.142 1.00 0.00 C ATOM 1592 C VAL A 101 96.203 -7.364 -0.421 1.00 0.00 C ATOM 1593 O VAL A 101 96.314 -7.209 0.795 1.00 0.00 O ATOM 1594 CB VAL A 101 95.237 -6.009 -2.283 1.00 0.00 C ATOM 1595 CG1 VAL A 101 94.040 -5.848 -3.207 1.00 0.00 C ATOM 1596 CG2 VAL A 101 95.670 -4.664 -1.722 1.00 0.00 C ATOM 0 H VAL A 101 94.340 -5.831 0.510 1.00 0.00 H new ATOM 0 HA VAL A 101 94.462 -7.891 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 101 96.064 -6.418 -2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 101 94.289 -5.151 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 101 93.779 -6.815 -3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 101 93.192 -5.463 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 101 95.896 -3.983 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 101 94.866 -4.247 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 101 96.559 -4.796 -1.105 1.00 0.00 H new ATOM 1606 N ARG A 102 97.177 -7.857 -1.180 1.00 0.00 N ATOM 1607 CA ARG A 102 98.465 -8.253 -0.618 1.00 0.00 C ATOM 1608 C ARG A 102 98.316 -9.488 0.267 1.00 0.00 C ATOM 1609 O ARG A 102 98.761 -9.502 1.415 1.00 0.00 O ATOM 1610 CB ARG A 102 99.076 -7.097 0.183 1.00 0.00 C ATOM 1611 CG ARG A 102 100.557 -6.889 -0.086 1.00 0.00 C ATOM 1612 CD ARG A 102 101.162 -5.870 0.868 1.00 0.00 C ATOM 1613 NE ARG A 102 101.460 -6.452 2.175 1.00 0.00 N ATOM 1614 CZ ARG A 102 100.607 -6.468 3.198 1.00 0.00 C ATOM 1615 NH1 ARG A 102 99.394 -5.944 3.073 1.00 0.00 N ATOM 1616 NH2 ARG A 102 100.968 -7.015 4.350 1.00 0.00 N ATOM 0 H ARG A 102 97.099 -7.992 -2.188 1.00 0.00 H new ATOM 0 HA ARG A 102 99.133 -8.502 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 102 98.539 -6.178 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 102 98.931 -7.286 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 102 101.082 -7.839 0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 102 100.697 -6.554 -1.114 1.00 0.00 H new ATOM 0 HD2 ARG A 102 102.077 -5.466 0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 102 100.472 -5.035 0.992 1.00 0.00 H new ATOM 0 HE ARG A 102 102.379 -6.872 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 102 99.108 -5.525 2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 102 98.747 -5.961 3.862 1.00 0.00 H new ATOM 0 HH21 ARG A 102 101.897 -7.423 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 102 100.316 -7.028 5.135 1.00 0.00 H new ATOM 1630 N SER A 103 97.686 -10.524 -0.277 1.00 0.00 N ATOM 1631 CA SER A 103 97.476 -11.766 0.458 1.00 0.00 C ATOM 1632 C SER A 103 97.201 -12.923 -0.497 1.00 0.00 C ATOM 1633 O SER A 103 96.320 -12.839 -1.352 1.00 0.00 O ATOM 1634 CB SER A 103 96.313 -11.611 1.440 1.00 0.00 C ATOM 1635 OG SER A 103 95.942 -12.863 1.992 1.00 0.00 O ATOM 0 H SER A 103 97.311 -10.528 -1.226 1.00 0.00 H new ATOM 0 HA SER A 103 98.386 -11.988 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 103 96.597 -10.927 2.240 1.00 0.00 H new ATOM 0 HB3 SER A 103 95.458 -11.167 0.929 1.00 0.00 H new ATOM 0 HG SER A 103 95.007 -13.054 1.771 1.00 0.00 H new ATOM 1641 N ASN A 104 97.962 -14.003 -0.345 1.00 0.00 N ATOM 1642 CA ASN A 104 97.800 -15.177 -1.194 1.00 0.00 C ATOM 1643 C ASN A 104 96.453 -15.848 -0.944 1.00 0.00 C ATOM 1644 O ASN A 104 95.712 -16.144 -1.882 1.00 0.00 O ATOM 1645 CB ASN A 104 98.932 -16.174 -0.945 1.00 0.00 C ATOM 1646 CG ASN A 104 98.965 -17.281 -1.981 1.00 0.00 C ATOM 1647 OD1 ASN A 104 98.842 -18.460 -1.648 1.00 0.00 O ATOM 1648 ND2 ASN A 104 99.131 -16.906 -3.243 1.00 0.00 N ATOM 0 H ASN A 104 98.696 -14.089 0.358 1.00 0.00 H new ATOM 0 HA ASN A 104 97.836 -14.849 -2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 104 99.886 -15.646 -0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 104 98.816 -16.611 0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 104 99.161 -17.607 -3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 104 99.229 -15.917 -3.473 1.00 0.00 H new ATOM 1655 N GLY A 105 96.142 -16.085 0.325 1.00 0.00 N ATOM 1656 CA GLY A 105 94.885 -16.719 0.674 1.00 0.00 C ATOM 1657 C GLY A 105 94.405 -16.333 2.059 1.00 0.00 C ATOM 1658 O GLY A 105 95.208 -16.135 2.970 1.00 0.00 O ATOM 0 H GLY A 105 96.738 -15.849 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 105 94.127 -16.444 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 105 95.001 -17.802 0.622 1.00 0.00 H new ATOM 1662 N VAL A 106 93.090 -16.224 2.217 1.00 0.00 N ATOM 1663 CA VAL A 106 92.501 -15.860 3.499 1.00 0.00 C ATOM 1664 C VAL A 106 93.002 -14.497 3.965 1.00 0.00 C ATOM 1665 O VAL A 106 93.736 -14.393 4.949 1.00 0.00 O ATOM 1666 CB VAL A 106 92.814 -16.912 4.581 1.00 0.00 C ATOM 1667 CG1 VAL A 106 92.074 -16.591 5.870 1.00 0.00 C ATOM 1668 CG2 VAL A 106 92.462 -18.308 4.089 1.00 0.00 C ATOM 0 H VAL A 106 92.412 -16.383 1.472 1.00 0.00 H new ATOM 0 HA VAL A 106 91.422 -15.815 3.352 1.00 0.00 H new ATOM 0 HB VAL A 106 93.884 -16.884 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 106 92.308 -17.345 6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 106 92.382 -15.610 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 106 91.000 -16.587 5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 106 92.690 -19.036 4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 106 91.399 -18.353 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 106 93.044 -18.537 3.196 1.00 0.00 H new ATOM 1678 N ILE A 107 92.600 -13.450 3.250 1.00 0.00 N ATOM 1679 CA ILE A 107 93.006 -12.090 3.589 1.00 0.00 C ATOM 1680 C ILE A 107 92.662 -11.757 5.039 1.00 0.00 C ATOM 1681 O ILE A 107 91.491 -11.659 5.405 1.00 0.00 O ATOM 1682 CB ILE A 107 92.343 -11.052 2.661 1.00 0.00 C ATOM 1683 CG1 ILE A 107 90.837 -11.307 2.554 1.00 0.00 C ATOM 1684 CG2 ILE A 107 92.991 -11.087 1.284 1.00 0.00 C ATOM 1685 CD1 ILE A 107 90.119 -10.325 1.653 1.00 0.00 C ATOM 0 H ILE A 107 91.994 -13.517 2.433 1.00 0.00 H new ATOM 0 HA ILE A 107 94.087 -12.043 3.455 1.00 0.00 H new ATOM 0 HB ILE A 107 92.490 -10.061 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 107 90.674 -12.317 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 107 90.397 -11.262 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 107 92.514 -10.350 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 107 94.052 -10.857 1.375 1.00 0.00 H new ATOM 0 HG23 ILE A 107 92.871 -12.080 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 107 89.056 -10.567 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 107 90.251 -9.314 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 107 90.532 -10.386 0.646 1.00 0.00 H new ATOM 1697 N ILE A 108 93.693 -11.590 5.861 1.00 0.00 N ATOM 1698 CA ILE A 108 93.503 -11.271 7.271 1.00 0.00 C ATOM 1699 C ILE A 108 93.402 -9.765 7.486 1.00 0.00 C ATOM 1700 O ILE A 108 92.371 -9.259 7.929 1.00 0.00 O ATOM 1701 CB ILE A 108 94.652 -11.826 8.135 1.00 0.00 C ATOM 1702 CG1 ILE A 108 94.946 -13.281 7.763 1.00 0.00 C ATOM 1703 CG2 ILE A 108 94.308 -11.709 9.612 1.00 0.00 C ATOM 1704 CD1 ILE A 108 93.785 -14.217 8.021 1.00 0.00 C ATOM 0 H ILE A 108 94.669 -11.670 5.575 1.00 0.00 H new ATOM 0 HA ILE A 108 92.569 -11.743 7.577 1.00 0.00 H new ATOM 0 HB ILE A 108 95.548 -11.236 7.943 1.00 0.00 H new ATOM 0 HG12 ILE A 108 95.215 -13.331 6.708 1.00 0.00 H new ATOM 0 HG13 ILE A 108 95.812 -13.624 8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 108 95.129 -12.105 10.209 1.00 0.00 H new ATOM 0 HG22 ILE A 108 94.147 -10.661 9.866 1.00 0.00 H new ATOM 0 HG23 ILE A 108 93.401 -12.277 9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 108 94.064 -15.231 7.734 1.00 0.00 H new ATOM 0 HD12 ILE A 108 93.530 -14.197 9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 108 92.923 -13.898 7.434 1.00 0.00 H new ATOM 1716 N GLY A 109 94.478 -9.054 7.168 1.00 0.00 N ATOM 1717 CA GLY A 109 94.491 -7.613 7.334 1.00 0.00 C ATOM 1718 C GLY A 109 93.975 -6.882 6.110 1.00 0.00 C ATOM 1719 O GLY A 109 93.590 -7.507 5.122 1.00 0.00 O ATOM 0 H GLY A 109 95.342 -9.450 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 109 93.882 -7.345 8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 109 95.508 -7.284 7.547 1.00 0.00 H new ATOM 1723 N ALA A 110 93.969 -5.555 6.175 1.00 0.00 N ATOM 1724 CA ALA A 110 93.496 -4.738 5.066 1.00 0.00 C ATOM 1725 C ALA A 110 94.216 -3.395 5.030 1.00 0.00 C ATOM 1726 O ALA A 110 94.626 -2.873 6.066 1.00 0.00 O ATOM 1727 CB ALA A 110 91.993 -4.530 5.168 1.00 0.00 C ATOM 0 H ALA A 110 94.287 -5.023 6.985 1.00 0.00 H new ATOM 0 HA ALA A 110 93.717 -5.265 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 110 91.653 -3.918 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 110 91.489 -5.496 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 110 91.758 -4.027 6.106 1.00 0.00 H new ATOM 1733 N ILE A 111 94.366 -2.840 3.832 1.00 0.00 N ATOM 1734 CA ILE A 111 95.039 -1.559 3.664 1.00 0.00 C ATOM 1735 C ILE A 111 94.028 -0.426 3.515 1.00 0.00 C ATOM 1736 O ILE A 111 93.095 -0.514 2.718 1.00 0.00 O ATOM 1737 CB ILE A 111 95.970 -1.569 2.435 1.00 0.00 C ATOM 1738 CG1 ILE A 111 96.888 -2.792 2.472 1.00 0.00 C ATOM 1739 CG2 ILE A 111 96.787 -0.286 2.379 1.00 0.00 C ATOM 1740 CD1 ILE A 111 97.094 -3.434 1.118 1.00 0.00 C ATOM 0 H ILE A 111 94.030 -3.258 2.964 1.00 0.00 H new ATOM 0 HA ILE A 111 95.638 -1.394 4.560 1.00 0.00 H new ATOM 0 HB ILE A 111 95.358 -1.626 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 111 97.856 -2.497 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 111 96.469 -3.530 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 111 97.439 -0.308 1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 111 96.116 0.570 2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 111 97.392 -0.200 3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 111 97.755 -4.294 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 111 96.133 -3.760 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 111 97.542 -2.711 0.437 1.00 0.00 H new ATOM 1752 N SER A 112 94.220 0.637 4.291 1.00 0.00 N ATOM 1753 CA SER A 112 93.322 1.785 4.250 1.00 0.00 C ATOM 1754 C SER A 112 93.910 2.913 3.408 1.00 0.00 C ATOM 1755 O SER A 112 95.077 3.274 3.564 1.00 0.00 O ATOM 1756 CB SER A 112 93.039 2.287 5.667 1.00 0.00 C ATOM 1757 OG SER A 112 94.215 2.795 6.273 1.00 0.00 O ATOM 0 H SER A 112 94.989 0.726 4.955 1.00 0.00 H new ATOM 0 HA SER A 112 92.388 1.464 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 112 92.277 3.066 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 112 92.637 1.473 6.271 1.00 0.00 H new ATOM 0 HG SER A 112 94.228 3.772 6.194 1.00 0.00 H new ATOM 1763 N THR A 113 93.092 3.465 2.518 1.00 0.00 N ATOM 1764 CA THR A 113 93.525 4.554 1.653 1.00 0.00 C ATOM 1765 C THR A 113 92.835 5.858 2.034 1.00 0.00 C ATOM 1766 O THR A 113 91.667 6.069 1.712 1.00 0.00 O ATOM 1767 CB THR A 113 93.234 4.248 0.173 1.00 0.00 C ATOM 1768 OG1 THR A 113 93.320 2.838 -0.063 1.00 0.00 O ATOM 1769 CG2 THR A 113 94.212 4.980 -0.735 1.00 0.00 C ATOM 0 H THR A 113 92.124 3.175 2.378 1.00 0.00 H new ATOM 0 HA THR A 113 94.602 4.658 1.788 1.00 0.00 H new ATOM 0 HB THR A 113 92.225 4.593 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 113 92.418 2.462 -0.132 1.00 0.00 H new ATOM 0 HG21 THR A 113 93.986 4.748 -1.776 1.00 0.00 H new ATOM 0 HG22 THR A 113 94.122 6.054 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 113 95.229 4.663 -0.505 1.00 0.00 H new ATOM 1777 N PHE A 114 93.563 6.731 2.724 1.00 0.00 N ATOM 1778 CA PHE A 114 93.015 8.013 3.151 1.00 0.00 C ATOM 1779 C PHE A 114 94.106 9.077 3.225 1.00 0.00 C ATOM 1780 O PHE A 114 95.211 8.814 3.698 1.00 0.00 O ATOM 1781 CB PHE A 114 92.336 7.869 4.514 1.00 0.00 C ATOM 1782 CG PHE A 114 93.276 7.461 5.611 1.00 0.00 C ATOM 1783 CD1 PHE A 114 94.111 8.392 6.207 1.00 0.00 C ATOM 1784 CD2 PHE A 114 93.326 6.145 6.045 1.00 0.00 C ATOM 1785 CE1 PHE A 114 94.978 8.019 7.216 1.00 0.00 C ATOM 1786 CE2 PHE A 114 94.193 5.767 7.053 1.00 0.00 C ATOM 1787 CZ PHE A 114 95.020 6.705 7.640 1.00 0.00 C ATOM 0 H PHE A 114 94.533 6.574 2.999 1.00 0.00 H new ATOM 0 HA PHE A 114 92.277 8.328 2.413 1.00 0.00 H new ATOM 0 HB2 PHE A 114 91.869 8.817 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 114 91.538 7.131 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 114 94.084 9.421 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 114 92.681 5.408 5.591 1.00 0.00 H new ATOM 0 HE1 PHE A 114 95.623 8.755 7.673 1.00 0.00 H new ATOM 0 HE2 PHE A 114 94.224 4.739 7.382 1.00 0.00 H new ATOM 0 HZ PHE A 114 95.698 6.412 8.428 1.00 0.00 H new ATOM 1797 N ARG A 115 93.786 10.278 2.756 1.00 0.00 N ATOM 1798 CA ARG A 115 94.737 11.384 2.773 1.00 0.00 C ATOM 1799 C ARG A 115 94.042 12.688 3.149 1.00 0.00 C ATOM 1800 O ARG A 115 93.067 13.091 2.512 1.00 0.00 O ATOM 1801 CB ARG A 115 95.412 11.527 1.407 1.00 0.00 C ATOM 1802 CG ARG A 115 96.610 10.608 1.223 1.00 0.00 C ATOM 1803 CD ARG A 115 97.241 10.780 -0.150 1.00 0.00 C ATOM 1804 NE ARG A 115 96.381 10.270 -1.217 1.00 0.00 N ATOM 1805 CZ ARG A 115 95.447 10.994 -1.832 1.00 0.00 C ATOM 1806 NH1 ARG A 115 95.238 12.259 -1.486 1.00 0.00 N ATOM 1807 NH2 ARG A 115 94.717 10.450 -2.796 1.00 0.00 N ATOM 0 H ARG A 115 92.876 10.511 2.359 1.00 0.00 H new ATOM 0 HA ARG A 115 95.497 11.167 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 115 94.681 11.319 0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 115 95.733 12.560 1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 115 97.352 10.817 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 115 96.298 9.572 1.354 1.00 0.00 H new ATOM 0 HD2 ARG A 115 97.447 11.836 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 115 98.198 10.260 -0.176 1.00 0.00 H new ATOM 0 HE ARG A 115 96.504 9.300 -1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 115 95.795 12.683 -0.744 1.00 0.00 H new ATOM 0 HH12 ARG A 115 94.521 12.806 -1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 115 94.871 9.478 -3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 115 94.002 11.003 -3.268 1.00 0.00 H new ATOM 1821 N ASP A 116 94.547 13.345 4.188 1.00 0.00 N ATOM 1822 CA ASP A 116 93.971 14.603 4.650 1.00 0.00 C ATOM 1823 C ASP A 116 94.889 15.778 4.327 1.00 0.00 C ATOM 1824 O ASP A 116 96.112 15.650 4.354 1.00 0.00 O ATOM 1825 CB ASP A 116 93.711 14.545 6.156 1.00 0.00 C ATOM 1826 CG ASP A 116 92.697 15.577 6.608 1.00 0.00 C ATOM 1827 OD1 ASP A 116 92.521 16.588 5.897 1.00 0.00 O ATOM 1828 OD2 ASP A 116 92.077 15.373 7.674 1.00 0.00 O ATOM 0 H ASP A 116 95.353 13.028 4.726 1.00 0.00 H new ATOM 0 HA ASP A 116 93.026 14.752 4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 116 93.356 13.550 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 116 94.648 14.702 6.690 1.00 0.00 H new