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+ -145:sc= -0.335 (180deg=-1.01) USER MOD Single : A 38 THR OG1 : rot -145:sc= -1.87 USER MOD Single : A 41 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.016) USER MOD Single : A 45 GLN : amide:sc= -2.61 K(o=-2.6,f=-7.9!) USER MOD Single : A 49 ASN : amide:sc= -2.75 K(o=-2.8,f=-8.3!) 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= -0.523 K(o=-0.52,f=-3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) 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= -0.0231 X(o=-0.023,f=-0.5) USER MOD Single : A 73 SER OG : rot -160:sc= 0 USER MOD Single : A 80 THR OG1 : rot 43:sc= 0.166 USER MOD Single : A 88 THR OG1 : rot -64:sc= -1.82 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.686 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.687 K(o=-0.69,f=-4.6!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 384 N LYS A 25 103.288 7.883 -4.412 1.00 0.00 N ATOM 385 CA LYS A 25 104.500 8.225 -3.678 1.00 0.00 C ATOM 386 C LYS A 25 104.221 9.320 -2.653 1.00 0.00 C ATOM 387 O LYS A 25 105.070 10.171 -2.392 1.00 0.00 O ATOM 388 CB LYS A 25 105.595 8.681 -4.645 1.00 0.00 C ATOM 389 CG LYS A 25 106.402 7.535 -5.233 1.00 0.00 C ATOM 390 CD LYS A 25 106.898 7.862 -6.632 1.00 0.00 C ATOM 391 CE LYS A 25 105.801 7.679 -7.668 1.00 0.00 C ATOM 392 NZ LYS A 25 105.174 6.331 -7.581 1.00 0.00 N ATOM 0 HA LYS A 25 104.841 7.335 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 25 105.139 9.247 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 25 106.270 9.360 -4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 25 107.252 7.318 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 25 105.788 6.635 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 25 107.259 8.890 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 25 107.744 7.220 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 25 105.038 8.444 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 25 106.216 7.823 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 104.917 6.005 -8.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 105.847 5.662 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 104.319 6.383 -6.991 1.00 0.00 H new ATOM 406 N GLU A 26 103.024 9.288 -2.075 1.00 0.00 N ATOM 407 CA GLU A 26 102.629 10.276 -1.078 1.00 0.00 C ATOM 408 C GLU A 26 103.463 10.135 0.191 1.00 0.00 C ATOM 409 O GLU A 26 104.262 11.012 0.520 1.00 0.00 O ATOM 410 CB GLU A 26 101.143 10.128 -0.745 1.00 0.00 C ATOM 411 CG GLU A 26 100.452 11.449 -0.446 1.00 0.00 C ATOM 412 CD GLU A 26 101.134 12.226 0.662 1.00 0.00 C ATOM 413 OE1 GLU A 26 101.458 11.616 1.702 1.00 0.00 O ATOM 414 OE2 GLU A 26 101.342 13.446 0.490 1.00 0.00 O ATOM 0 H GLU A 26 102.311 8.588 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 26 102.804 11.267 -1.496 1.00 0.00 H new ATOM 0 HB2 GLU A 26 100.638 9.645 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 26 101.036 9.468 0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 26 100.431 12.057 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 26 99.416 11.258 -0.166 1.00 0.00 H new ATOM 421 N GLY A 27 103.272 9.027 0.900 1.00 0.00 N ATOM 422 CA GLY A 27 104.016 8.797 2.124 1.00 0.00 C ATOM 423 C GLY A 27 104.114 7.326 2.480 1.00 0.00 C ATOM 424 O GLY A 27 104.174 6.469 1.598 1.00 0.00 O ATOM 0 H GLY A 27 102.617 8.286 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 27 105.020 9.209 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 27 103.536 9.334 2.943 1.00 0.00 H new ATOM 428 N VAL A 28 104.129 7.035 3.777 1.00 0.00 N ATOM 429 CA VAL A 28 104.223 5.659 4.252 1.00 0.00 C ATOM 430 C VAL A 28 103.203 5.388 5.354 1.00 0.00 C ATOM 431 O VAL A 28 103.341 5.876 6.476 1.00 0.00 O ATOM 432 CB VAL A 28 105.636 5.334 4.784 1.00 0.00 C ATOM 433 CG1 VAL A 28 106.487 4.714 3.687 1.00 0.00 C ATOM 434 CG2 VAL A 28 106.306 6.581 5.345 1.00 0.00 C ATOM 0 H VAL A 28 104.077 7.734 4.518 1.00 0.00 H new ATOM 0 HA VAL A 28 104.013 5.018 3.396 1.00 0.00 H new ATOM 0 HB VAL A 28 105.538 4.612 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 28 107.480 4.491 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 28 106.019 3.793 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 28 106.574 5.413 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 28 107.300 6.326 5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 28 106.392 7.332 4.560 1.00 0.00 H new ATOM 0 HG23 VAL A 28 105.707 6.979 6.164 1.00 0.00 H new ATOM 444 N VAL A 29 102.180 4.607 5.025 1.00 0.00 N ATOM 445 CA VAL A 29 101.135 4.269 5.984 1.00 0.00 C ATOM 446 C VAL A 29 100.633 2.845 5.767 1.00 0.00 C ATOM 447 O VAL A 29 100.479 2.396 4.631 1.00 0.00 O ATOM 448 CB VAL A 29 99.946 5.245 5.883 1.00 0.00 C ATOM 449 CG1 VAL A 29 98.908 4.943 6.954 1.00 0.00 C ATOM 450 CG2 VAL A 29 100.427 6.684 5.988 1.00 0.00 C ATOM 0 H VAL A 29 102.052 4.196 4.100 1.00 0.00 H new ATOM 0 HA VAL A 29 101.576 4.348 6.978 1.00 0.00 H new ATOM 0 HB VAL A 29 99.475 5.112 4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 29 98.078 5.644 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 29 98.539 3.925 6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 29 99.362 5.043 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 29 99.574 7.359 5.915 1.00 0.00 H new ATOM 0 HG22 VAL A 29 100.926 6.832 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 29 101.126 6.894 5.179 1.00 0.00 H new ATOM 460 N ALA A 30 100.382 2.138 6.864 1.00 0.00 N ATOM 461 CA ALA A 30 99.900 0.764 6.795 1.00 0.00 C ATOM 462 C ALA A 30 98.804 0.513 7.824 1.00 0.00 C ATOM 463 O ALA A 30 98.897 0.963 8.966 1.00 0.00 O ATOM 464 CB ALA A 30 101.052 -0.209 6.999 1.00 0.00 C ATOM 0 H ALA A 30 100.505 2.495 7.812 1.00 0.00 H new ATOM 0 HA ALA A 30 99.474 0.604 5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 30 100.678 -1.232 6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 30 101.801 -0.055 6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.503 -0.039 7.976 1.00 0.00 H new ATOM 470 N VAL A 31 97.765 -0.206 7.412 1.00 0.00 N ATOM 471 CA VAL A 31 96.649 -0.517 8.299 1.00 0.00 C ATOM 472 C VAL A 31 96.163 -1.947 8.093 1.00 0.00 C ATOM 473 O VAL A 31 96.270 -2.498 6.997 1.00 0.00 O ATOM 474 CB VAL A 31 95.470 0.448 8.081 1.00 0.00 C ATOM 475 CG1 VAL A 31 95.854 1.862 8.485 1.00 0.00 C ATOM 476 CG2 VAL A 31 95.006 0.404 6.633 1.00 0.00 C ATOM 0 H VAL A 31 97.672 -0.584 6.469 1.00 0.00 H new ATOM 0 HA VAL A 31 97.018 -0.404 9.318 1.00 0.00 H new ATOM 0 HB VAL A 31 94.641 0.129 8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 31 95.007 2.529 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 31 96.132 1.877 9.539 1.00 0.00 H new ATOM 0 HG13 VAL A 31 96.699 2.196 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 31 94.172 1.092 6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 31 95.828 0.696 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 31 94.686 -0.608 6.384 1.00 0.00 H new ATOM 486 N ASP A 32 95.633 -2.545 9.154 1.00 0.00 N ATOM 487 CA ASP A 32 95.129 -3.912 9.091 1.00 0.00 C ATOM 488 C ASP A 32 94.040 -4.039 8.028 1.00 0.00 C ATOM 489 O ASP A 32 93.842 -3.134 7.217 1.00 0.00 O ATOM 490 CB ASP A 32 94.581 -4.340 10.454 1.00 0.00 C ATOM 491 CG ASP A 32 95.566 -4.093 11.581 1.00 0.00 C ATOM 492 OD1 ASP A 32 96.185 -3.008 11.603 1.00 0.00 O ATOM 493 OD2 ASP A 32 95.717 -4.984 12.443 1.00 0.00 O ATOM 0 H ASP A 32 95.541 -2.104 10.069 1.00 0.00 H new ATOM 0 HA ASP A 32 95.957 -4.567 8.820 1.00 0.00 H new ATOM 0 HB2 ASP A 32 93.658 -3.797 10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 32 94.327 -5.400 10.423 1.00 0.00 H new ATOM 498 N ASP A 33 93.338 -5.168 8.037 1.00 0.00 N ATOM 499 CA ASP A 33 92.270 -5.413 7.074 1.00 0.00 C ATOM 500 C ASP A 33 91.229 -4.298 7.119 1.00 0.00 C ATOM 501 O ASP A 33 90.842 -3.754 6.084 1.00 0.00 O ATOM 502 CB ASP A 33 91.602 -6.760 7.355 1.00 0.00 C ATOM 503 CG ASP A 33 90.661 -7.182 6.244 1.00 0.00 C ATOM 504 OD1 ASP A 33 90.276 -6.316 5.430 1.00 0.00 O ATOM 505 OD2 ASP A 33 90.309 -8.380 6.187 1.00 0.00 O ATOM 0 H ASP A 33 93.490 -5.928 8.701 1.00 0.00 H new ATOM 0 HA ASP A 33 92.711 -5.433 6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 33 92.370 -7.523 7.486 1.00 0.00 H new ATOM 0 HB3 ASP A 33 91.049 -6.700 8.292 1.00 0.00 H new ATOM 510 N ARG A 34 90.781 -3.961 8.324 1.00 0.00 N ATOM 511 CA ARG A 34 89.786 -2.910 8.505 1.00 0.00 C ATOM 512 C ARG A 34 90.458 -1.567 8.775 1.00 0.00 C ATOM 513 O ARG A 34 90.392 -0.652 7.953 1.00 0.00 O ATOM 514 CB ARG A 34 88.842 -3.263 9.656 1.00 0.00 C ATOM 515 CG ARG A 34 87.392 -2.892 9.391 1.00 0.00 C ATOM 516 CD ARG A 34 86.669 -3.981 8.616 1.00 0.00 C ATOM 517 NE ARG A 34 85.509 -3.463 7.895 1.00 0.00 N ATOM 518 CZ ARG A 34 84.515 -4.225 7.444 1.00 0.00 C ATOM 519 NH1 ARG A 34 84.534 -5.537 7.642 1.00 0.00 N ATOM 520 NH2 ARG A 34 83.498 -3.674 6.797 1.00 0.00 N ATOM 0 H ARG A 34 91.091 -4.401 9.190 1.00 0.00 H new ATOM 0 HA ARG A 34 89.208 -2.829 7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 34 88.904 -4.334 9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 34 89.179 -2.755 10.560 1.00 0.00 H new ATOM 0 HG2 ARG A 34 86.881 -2.718 10.338 1.00 0.00 H new ATOM 0 HG3 ARG A 34 87.351 -1.958 8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 34 87.359 -4.442 7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 34 86.348 -4.763 9.304 1.00 0.00 H new ATOM 0 HE ARG A 34 85.458 -2.458 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 34 85.313 -5.966 8.142 1.00 0.00 H new ATOM 0 HH12 ARG A 34 83.770 -6.116 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 34 83.477 -2.666 6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 34 82.737 -4.258 6.452 1.00 0.00 H new ATOM 534 N GLY A 35 91.105 -1.456 9.930 1.00 0.00 N ATOM 535 CA GLY A 35 91.780 -0.222 10.287 1.00 0.00 C ATOM 536 C GLY A 35 92.217 -0.198 11.738 1.00 0.00 C ATOM 537 O GLY A 35 91.401 -0.373 12.642 1.00 0.00 O ATOM 0 H GLY A 35 91.174 -2.199 10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 35 92.652 -0.090 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 35 91.115 0.620 10.097 1.00 0.00 H new ATOM 541 N GLU A 36 93.509 0.020 11.961 1.00 0.00 N ATOM 542 CA GLU A 36 94.056 0.067 13.312 1.00 0.00 C ATOM 543 C GLU A 36 94.818 1.368 13.544 1.00 0.00 C ATOM 544 O GLU A 36 94.564 2.085 14.512 1.00 0.00 O ATOM 545 CB GLU A 36 94.979 -1.129 13.551 1.00 0.00 C ATOM 546 CG GLU A 36 94.924 -1.667 14.971 1.00 0.00 C ATOM 547 CD GLU A 36 93.706 -2.535 15.217 1.00 0.00 C ATOM 548 OE1 GLU A 36 93.136 -3.053 14.233 1.00 0.00 O ATOM 549 OE2 GLU A 36 93.322 -2.699 16.394 1.00 0.00 O ATOM 0 H GLU A 36 94.197 0.167 11.223 1.00 0.00 H new ATOM 0 HA GLU A 36 93.226 0.023 14.017 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.712 -1.927 12.859 1.00 0.00 H new ATOM 0 HB3 GLU A 36 96.004 -0.838 13.321 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.825 -2.246 15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.919 -0.832 15.672 1.00 0.00 H new ATOM 556 N VAL A 37 95.756 1.666 12.651 1.00 0.00 N ATOM 557 CA VAL A 37 96.557 2.881 12.756 1.00 0.00 C ATOM 558 C VAL A 37 97.321 2.921 14.076 1.00 0.00 C ATOM 559 O VAL A 37 97.553 3.992 14.638 1.00 0.00 O ATOM 560 CB VAL A 37 95.683 4.145 12.642 1.00 0.00 C ATOM 561 CG1 VAL A 37 96.553 5.382 12.482 1.00 0.00 C ATOM 562 CG2 VAL A 37 94.706 4.016 11.482 1.00 0.00 C ATOM 0 H VAL A 37 95.981 1.082 11.845 1.00 0.00 H new ATOM 0 HA VAL A 37 97.266 2.865 11.928 1.00 0.00 H new ATOM 0 HB VAL A 37 95.107 4.251 13.561 1.00 0.00 H new ATOM 0 HG11 VAL A 37 95.919 6.265 12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 37 97.207 5.481 13.348 1.00 0.00 H new ATOM 0 HG13 VAL A 37 97.157 5.288 11.580 1.00 0.00 H new ATOM 0 HG21 VAL A 37 94.097 4.918 11.417 1.00 0.00 H new ATOM 0 HG22 VAL A 37 95.260 3.884 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 37 94.060 3.153 11.645 1.00 0.00 H new ATOM 572 N THR A 38 97.710 1.748 14.564 1.00 0.00 N ATOM 573 CA THR A 38 98.448 1.647 15.817 1.00 0.00 C ATOM 574 C THR A 38 99.919 1.999 15.618 1.00 0.00 C ATOM 575 O THR A 38 100.522 2.677 16.449 1.00 0.00 O ATOM 576 CB THR A 38 98.347 0.230 16.415 1.00 0.00 C ATOM 577 OG1 THR A 38 97.179 -0.431 15.916 1.00 0.00 O ATOM 578 CG2 THR A 38 98.294 0.286 17.935 1.00 0.00 C ATOM 0 H THR A 38 97.526 0.853 14.110 1.00 0.00 H new ATOM 0 HA THR A 38 97.997 2.359 16.509 1.00 0.00 H new ATOM 0 HB THR A 38 99.235 -0.329 16.119 1.00 0.00 H new ATOM 0 HG1 THR A 38 96.804 -1.005 16.616 1.00 0.00 H new ATOM 0 HG21 THR A 38 98.223 -0.726 18.334 1.00 0.00 H new ATOM 0 HG22 THR A 38 99.198 0.763 18.313 1.00 0.00 H new ATOM 0 HG23 THR A 38 97.423 0.861 18.248 1.00 0.00 H new ATOM 586 N LEU A 39 100.490 1.532 14.512 1.00 0.00 N ATOM 587 CA LEU A 39 101.891 1.797 14.206 1.00 0.00 C ATOM 588 C LEU A 39 102.028 2.571 12.900 1.00 0.00 C ATOM 589 O LEU A 39 101.636 2.090 11.836 1.00 0.00 O ATOM 590 CB LEU A 39 102.671 0.484 14.118 1.00 0.00 C ATOM 591 CG LEU A 39 102.475 -0.466 15.302 1.00 0.00 C ATOM 592 CD1 LEU A 39 103.106 -1.819 15.009 1.00 0.00 C ATOM 593 CD2 LEU A 39 103.060 0.136 16.570 1.00 0.00 C ATOM 0 H LEU A 39 100.005 0.969 13.814 1.00 0.00 H new ATOM 0 HA LEU A 39 102.303 2.405 15.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 102.379 -0.034 13.204 1.00 0.00 H new ATOM 0 HB3 LEU A 39 103.733 0.715 14.029 1.00 0.00 H new ATOM 0 HG LEU A 39 101.406 -0.613 15.455 1.00 0.00 H new ATOM 0 HD11 LEU A 39 102.957 -2.482 15.861 1.00 0.00 H new ATOM 0 HD12 LEU A 39 102.640 -2.254 14.125 1.00 0.00 H new ATOM 0 HD13 LEU A 39 104.174 -1.692 14.830 1.00 0.00 H new ATOM 0 HD21 LEU A 39 102.912 -0.553 17.402 1.00 0.00 H new ATOM 0 HD22 LEU A 39 104.127 0.312 16.431 1.00 0.00 H new ATOM 0 HD23 LEU A 39 102.562 1.081 16.788 1.00 0.00 H new ATOM 605 N ILE A 40 102.588 3.773 12.987 1.00 0.00 N ATOM 606 CA ILE A 40 102.779 4.617 11.813 1.00 0.00 C ATOM 607 C ILE A 40 104.233 5.065 11.693 1.00 0.00 C ATOM 608 O ILE A 40 104.932 5.216 12.696 1.00 0.00 O ATOM 609 CB ILE A 40 101.868 5.860 11.861 1.00 0.00 C ATOM 610 CG1 ILE A 40 102.019 6.684 10.579 1.00 0.00 C ATOM 611 CG2 ILE A 40 102.187 6.707 13.086 1.00 0.00 C ATOM 612 CD1 ILE A 40 101.181 7.944 10.568 1.00 0.00 C ATOM 0 H ILE A 40 102.918 4.185 13.860 1.00 0.00 H new ATOM 0 HA ILE A 40 102.513 4.018 10.942 1.00 0.00 H new ATOM 0 HB ILE A 40 100.832 5.528 11.935 1.00 0.00 H new ATOM 0 HG12 ILE A 40 103.067 6.954 10.451 1.00 0.00 H new ATOM 0 HG13 ILE A 40 101.742 6.066 9.725 1.00 0.00 H new ATOM 0 HG21 ILE A 40 101.535 7.580 13.104 1.00 0.00 H new ATOM 0 HG22 ILE A 40 102.028 6.116 13.988 1.00 0.00 H new ATOM 0 HG23 ILE A 40 103.227 7.031 13.043 1.00 0.00 H new ATOM 0 HD11 ILE A 40 101.338 8.477 9.630 1.00 0.00 H new ATOM 0 HD12 ILE A 40 100.128 7.681 10.664 1.00 0.00 H new ATOM 0 HD13 ILE A 40 101.473 8.582 11.402 1.00 0.00 H new ATOM 624 N ASN A 41 104.684 5.277 10.460 1.00 0.00 N ATOM 625 CA ASN A 41 106.055 5.709 10.213 1.00 0.00 C ATOM 626 C ASN A 41 106.321 7.065 10.859 1.00 0.00 C ATOM 627 O ASN A 41 105.390 7.785 11.219 1.00 0.00 O ATOM 628 CB ASN A 41 106.327 5.782 8.709 1.00 0.00 C ATOM 629 CG ASN A 41 107.776 5.491 8.371 1.00 0.00 C ATOM 630 OD1 ASN A 41 108.199 4.335 8.344 1.00 0.00 O ATOM 631 ND2 ASN A 41 108.546 6.542 8.115 1.00 0.00 N ATOM 0 H ASN A 41 104.121 5.157 9.618 1.00 0.00 H new ATOM 0 HA ASN A 41 106.727 4.976 10.659 1.00 0.00 H new ATOM 0 HB2 ASN A 41 105.685 5.069 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 41 106.063 6.774 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 41 109.531 6.409 7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 41 108.153 7.483 8.149 1.00 0.00 H new ATOM 638 N ASP A 42 107.597 7.407 11.000 1.00 0.00 N ATOM 639 CA ASP A 42 107.987 8.676 11.606 1.00 0.00 C ATOM 640 C ASP A 42 107.539 9.856 10.748 1.00 0.00 C ATOM 641 O ASP A 42 106.612 10.582 11.109 1.00 0.00 O ATOM 642 CB ASP A 42 109.503 8.724 11.804 1.00 0.00 C ATOM 643 CG ASP A 42 109.948 7.978 13.047 1.00 0.00 C ATOM 644 OD1 ASP A 42 109.373 6.907 13.335 1.00 0.00 O ATOM 645 OD2 ASP A 42 110.871 8.465 13.733 1.00 0.00 O ATOM 0 H ASP A 42 108.379 6.824 10.703 1.00 0.00 H new ATOM 0 HA ASP A 42 107.495 8.750 12.576 1.00 0.00 H new ATOM 0 HB2 ASP A 42 109.994 8.295 10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 42 109.825 9.763 11.873 1.00 0.00 H new ATOM 650 N ALA A 43 108.203 10.040 9.611 1.00 0.00 N ATOM 651 CA ALA A 43 107.878 11.134 8.702 1.00 0.00 C ATOM 652 C ALA A 43 106.408 11.100 8.290 1.00 0.00 C ATOM 653 O ALA A 43 105.821 12.133 7.968 1.00 0.00 O ATOM 654 CB ALA A 43 108.772 11.081 7.473 1.00 0.00 C ATOM 0 H ALA A 43 108.970 9.445 9.297 1.00 0.00 H new ATOM 0 HA ALA A 43 108.055 12.071 9.230 1.00 0.00 H new ATOM 0 HB1 ALA A 43 108.519 11.903 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 43 109.815 11.169 7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 43 108.624 10.133 6.956 1.00 0.00 H new ATOM 660 N ALA A 44 105.820 9.909 8.304 1.00 0.00 N ATOM 661 CA ALA A 44 104.419 9.744 7.929 1.00 0.00 C ATOM 662 C ALA A 44 103.511 10.625 8.784 1.00 0.00 C ATOM 663 O ALA A 44 102.652 11.336 8.264 1.00 0.00 O ATOM 664 CB ALA A 44 104.008 8.285 8.053 1.00 0.00 C ATOM 0 H ALA A 44 106.290 9.044 8.571 1.00 0.00 H new ATOM 0 HA ALA A 44 104.309 10.055 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 44 102.961 8.177 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 44 104.627 7.675 7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 44 104.141 7.956 9.083 1.00 0.00 H new ATOM 670 N GLN A 45 103.711 10.571 10.096 1.00 0.00 N ATOM 671 CA GLN A 45 102.910 11.364 11.023 1.00 0.00 C ATOM 672 C GLN A 45 103.073 12.857 10.752 1.00 0.00 C ATOM 673 O GLN A 45 102.180 13.651 11.046 1.00 0.00 O ATOM 674 CB GLN A 45 103.308 11.051 12.467 1.00 0.00 C ATOM 675 CG GLN A 45 102.727 9.748 12.989 1.00 0.00 C ATOM 676 CD GLN A 45 103.075 9.497 14.444 1.00 0.00 C ATOM 677 OE1 GLN A 45 102.444 10.044 15.348 1.00 0.00 O ATOM 678 NE2 GLN A 45 104.085 8.667 14.675 1.00 0.00 N ATOM 0 H GLN A 45 104.419 9.988 10.542 1.00 0.00 H new ATOM 0 HA GLN A 45 101.863 11.101 10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 45 104.395 11.007 12.534 1.00 0.00 H new ATOM 0 HB3 GLN A 45 102.982 11.868 13.110 1.00 0.00 H new ATOM 0 HG2 GLN A 45 101.643 9.767 12.876 1.00 0.00 H new ATOM 0 HG3 GLN A 45 103.096 8.921 12.383 1.00 0.00 H new ATOM 0 HE21 GLN A 45 104.580 8.236 13.894 1.00 0.00 H new ATOM 0 HE22 GLN A 45 104.366 8.460 15.633 1.00 0.00 H new ATOM 687 N GLU A 46 104.220 13.232 10.190 1.00 0.00 N ATOM 688 CA GLU A 46 104.499 14.631 9.881 1.00 0.00 C ATOM 689 C GLU A 46 103.394 15.238 9.021 1.00 0.00 C ATOM 690 O GLU A 46 103.134 16.439 9.085 1.00 0.00 O ATOM 691 CB GLU A 46 105.844 14.757 9.163 1.00 0.00 C ATOM 692 CG GLU A 46 106.386 16.178 9.130 1.00 0.00 C ATOM 693 CD GLU A 46 107.799 16.277 9.673 1.00 0.00 C ATOM 694 OE1 GLU A 46 108.599 15.352 9.421 1.00 0.00 O ATOM 695 OE2 GLU A 46 108.104 17.281 10.351 1.00 0.00 O ATOM 0 H GLU A 46 104.970 12.587 9.940 1.00 0.00 H new ATOM 0 HA GLU A 46 104.540 15.179 10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 46 106.571 14.111 9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 46 105.736 14.394 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 46 106.369 16.546 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 46 105.731 16.826 9.712 1.00 0.00 H new ATOM 702 N LEU A 47 102.746 14.400 8.217 1.00 0.00 N ATOM 703 CA LEU A 47 101.669 14.857 7.348 1.00 0.00 C ATOM 704 C LEU A 47 100.491 15.373 8.167 1.00 0.00 C ATOM 705 O LEU A 47 100.056 16.512 7.996 1.00 0.00 O ATOM 706 CB LEU A 47 101.210 13.723 6.430 1.00 0.00 C ATOM 707 CG LEU A 47 100.728 14.165 5.047 1.00 0.00 C ATOM 708 CD1 LEU A 47 100.845 13.023 4.051 1.00 0.00 C ATOM 709 CD2 LEU A 47 99.294 14.669 5.119 1.00 0.00 C ATOM 0 H LEU A 47 102.948 13.403 8.150 1.00 0.00 H new ATOM 0 HA LEU A 47 102.050 15.676 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 47 102.035 13.022 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 47 100.403 13.181 6.923 1.00 0.00 H new ATOM 0 HG LEU A 47 101.363 14.983 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 47 100.498 13.356 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 47 101.886 12.709 3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 47 100.235 12.184 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 47 98.967 14.979 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 47 98.646 13.871 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 47 99.241 15.518 5.801 1.00 0.00 H new ATOM 721 N LEU A 48 99.980 14.528 9.057 1.00 0.00 N ATOM 722 CA LEU A 48 98.853 14.900 9.904 1.00 0.00 C ATOM 723 C LEU A 48 99.248 16.006 10.878 1.00 0.00 C ATOM 724 O LEU A 48 98.795 17.144 10.757 1.00 0.00 O ATOM 725 CB LEU A 48 98.339 13.679 10.672 1.00 0.00 C ATOM 726 CG LEU A 48 96.927 13.226 10.298 1.00 0.00 C ATOM 727 CD1 LEU A 48 96.686 11.796 10.755 1.00 0.00 C ATOM 728 CD2 LEU A 48 95.890 14.163 10.899 1.00 0.00 C ATOM 0 H LEU A 48 100.328 13.582 9.210 1.00 0.00 H new ATOM 0 HA LEU A 48 98.055 15.275 9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 48 99.026 12.849 10.507 1.00 0.00 H new ATOM 0 HB3 LEU A 48 98.361 13.904 11.738 1.00 0.00 H new ATOM 0 HG LEU A 48 96.831 13.259 9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 48 95.676 11.491 10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 48 97.408 11.134 10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 48 96.801 11.736 11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 48 94.891 13.825 10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 48 95.986 14.163 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 48 96.049 15.173 10.521 1.00 0.00 H new ATOM 740 N ASN A 49 100.093 15.662 11.845 1.00 0.00 N ATOM 741 CA ASN A 49 100.547 16.628 12.839 1.00 0.00 C ATOM 742 C ASN A 49 101.613 16.020 13.745 1.00 0.00 C ATOM 743 O ASN A 49 102.034 14.880 13.549 1.00 0.00 O ATOM 744 CB ASN A 49 99.367 17.119 13.679 1.00 0.00 C ATOM 745 CG ASN A 49 98.672 15.990 14.416 1.00 0.00 C ATOM 746 OD1 ASN A 49 98.714 14.836 13.990 1.00 0.00 O ATOM 747 ND2 ASN A 49 98.027 16.320 15.529 1.00 0.00 N ATOM 0 H ASN A 49 100.476 14.724 11.961 1.00 0.00 H new ATOM 0 HA ASN A 49 100.986 17.474 12.311 1.00 0.00 H new ATOM 0 HB2 ASN A 49 99.720 17.857 14.400 1.00 0.00 H new ATOM 0 HB3 ASN A 49 98.649 17.623 13.032 1.00 0.00 H new ATOM 0 HD21 ASN A 49 97.540 15.604 16.068 1.00 0.00 H new ATOM 0 HD22 ASN A 49 98.019 17.290 15.845 1.00 0.00 H new ATOM 754 N TYR A 50 102.045 16.790 14.739 1.00 0.00 N ATOM 755 CA TYR A 50 103.062 16.330 15.676 1.00 0.00 C ATOM 756 C TYR A 50 102.444 15.997 17.031 1.00 0.00 C ATOM 757 O TYR A 50 102.793 16.594 18.050 1.00 0.00 O ATOM 758 CB TYR A 50 104.151 17.395 15.841 1.00 0.00 C ATOM 759 CG TYR A 50 103.617 18.758 16.218 1.00 0.00 C ATOM 760 CD1 TYR A 50 103.151 19.636 15.246 1.00 0.00 C ATOM 761 CD2 TYR A 50 103.580 19.170 17.545 1.00 0.00 C ATOM 762 CE1 TYR A 50 102.663 20.883 15.586 1.00 0.00 C ATOM 763 CE2 TYR A 50 103.092 20.415 17.892 1.00 0.00 C ATOM 764 CZ TYR A 50 102.636 21.267 16.910 1.00 0.00 C ATOM 765 OH TYR A 50 102.149 22.508 17.251 1.00 0.00 O ATOM 0 H TYR A 50 101.706 17.736 14.916 1.00 0.00 H new ATOM 0 HA TYR A 50 103.511 15.423 15.272 1.00 0.00 H new ATOM 0 HB2 TYR A 50 104.855 17.066 16.605 1.00 0.00 H new ATOM 0 HB3 TYR A 50 104.709 17.479 14.908 1.00 0.00 H new ATOM 0 HD1 TYR A 50 103.171 19.338 14.208 1.00 0.00 H new ATOM 0 HD2 TYR A 50 103.939 18.506 18.318 1.00 0.00 H new ATOM 0 HE1 TYR A 50 102.305 21.553 14.819 1.00 0.00 H new ATOM 0 HE2 TYR A 50 103.068 20.719 18.928 1.00 0.00 H new ATOM 0 HH TYR A 50 102.198 22.623 18.223 1.00 0.00 H new ATOM 775 N ARG A 51 101.524 15.039 17.035 1.00 0.00 N ATOM 776 CA ARG A 51 100.856 14.625 18.263 1.00 0.00 C ATOM 777 C ARG A 51 101.454 13.327 18.797 1.00 0.00 C ATOM 778 O ARG A 51 102.442 12.822 18.265 1.00 0.00 O ATOM 779 CB ARG A 51 99.356 14.452 18.020 1.00 0.00 C ATOM 780 CG ARG A 51 98.487 15.147 19.057 1.00 0.00 C ATOM 781 CD ARG A 51 98.743 16.645 19.086 1.00 0.00 C ATOM 782 NE ARG A 51 97.625 17.402 18.530 1.00 0.00 N ATOM 783 CZ ARG A 51 97.609 18.728 18.416 1.00 0.00 C ATOM 784 NH1 ARG A 51 98.652 19.448 18.813 1.00 0.00 N ATOM 785 NH2 ARG A 51 96.548 19.337 17.905 1.00 0.00 N ATOM 0 H ARG A 51 101.224 14.534 16.201 1.00 0.00 H new ATOM 0 HA ARG A 51 101.006 15.405 19.010 1.00 0.00 H new ATOM 0 HB2 ARG A 51 99.109 14.841 17.032 1.00 0.00 H new ATOM 0 HB3 ARG A 51 99.118 13.388 18.013 1.00 0.00 H new ATOM 0 HG2 ARG A 51 97.436 14.961 18.836 1.00 0.00 H new ATOM 0 HG3 ARG A 51 98.685 14.724 20.042 1.00 0.00 H new ATOM 0 HD2 ARG A 51 98.920 16.963 20.113 1.00 0.00 H new ATOM 0 HD3 ARG A 51 99.649 16.869 18.522 1.00 0.00 H new ATOM 0 HE ARG A 51 96.807 16.883 18.210 1.00 0.00 H new ATOM 0 HH11 ARG A 51 99.471 18.985 19.208 1.00 0.00 H new ATOM 0 HH12 ARG A 51 98.634 20.464 18.723 1.00 0.00 H new ATOM 0 HH21 ARG A 51 95.744 18.789 17.599 1.00 0.00 H new ATOM 0 HH22 ARG A 51 96.536 20.353 17.818 1.00 0.00 H new ATOM 799 N LYS A 52 100.847 12.793 19.852 1.00 0.00 N ATOM 800 CA LYS A 52 101.320 11.554 20.460 1.00 0.00 C ATOM 801 C LYS A 52 100.246 10.471 20.406 1.00 0.00 C ATOM 802 O LYS A 52 100.549 9.295 20.205 1.00 0.00 O ATOM 803 CB LYS A 52 101.742 11.802 21.911 1.00 0.00 C ATOM 804 CG LYS A 52 103.125 11.266 22.242 1.00 0.00 C ATOM 805 CD LYS A 52 103.353 11.196 23.744 1.00 0.00 C ATOM 806 CE LYS A 52 103.444 9.758 24.230 1.00 0.00 C ATOM 807 NZ LYS A 52 102.105 9.112 24.309 1.00 0.00 N ATOM 0 H LYS A 52 100.027 13.198 20.304 1.00 0.00 H new ATOM 0 HA LYS A 52 102.183 11.208 19.892 1.00 0.00 H new ATOM 0 HB2 LYS A 52 101.720 12.874 22.109 1.00 0.00 H new ATOM 0 HB3 LYS A 52 101.013 11.340 22.577 1.00 0.00 H new ATOM 0 HG2 LYS A 52 103.244 10.273 21.809 1.00 0.00 H new ATOM 0 HG3 LYS A 52 103.882 11.905 21.788 1.00 0.00 H new ATOM 0 HD2 LYS A 52 104.271 11.725 23.998 1.00 0.00 H new ATOM 0 HD3 LYS A 52 102.539 11.704 24.260 1.00 0.00 H new ATOM 0 HE2 LYS A 52 104.083 9.187 23.556 1.00 0.00 H new ATOM 0 HE3 LYS A 52 103.916 9.736 25.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 102.211 8.133 24.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 101.503 9.641 24.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 101.665 9.109 23.367 1.00 0.00 H new ATOM 821 N SER A 53 98.993 10.874 20.587 1.00 0.00 N ATOM 822 CA SER A 53 97.876 9.934 20.562 1.00 0.00 C ATOM 823 C SER A 53 96.963 10.197 19.369 1.00 0.00 C ATOM 824 O SER A 53 96.470 9.264 18.737 1.00 0.00 O ATOM 825 CB SER A 53 97.076 10.030 21.863 1.00 0.00 C ATOM 826 OG SER A 53 97.785 9.447 22.942 1.00 0.00 O ATOM 0 H SER A 53 98.725 11.844 20.753 1.00 0.00 H new ATOM 0 HA SER A 53 98.284 8.928 20.465 1.00 0.00 H new ATOM 0 HB2 SER A 53 96.863 11.075 22.086 1.00 0.00 H new ATOM 0 HB3 SER A 53 96.116 9.528 21.741 1.00 0.00 H new ATOM 0 HG SER A 53 97.253 9.523 23.762 1.00 0.00 H new ATOM 832 N GLN A 54 96.740 11.473 19.065 1.00 0.00 N ATOM 833 CA GLN A 54 95.882 11.853 17.948 1.00 0.00 C ATOM 834 C GLN A 54 96.399 11.265 16.638 1.00 0.00 C ATOM 835 O GLN A 54 95.619 10.812 15.800 1.00 0.00 O ATOM 836 CB GLN A 54 95.794 13.376 17.838 1.00 0.00 C ATOM 837 CG GLN A 54 94.502 13.866 17.204 1.00 0.00 C ATOM 838 CD GLN A 54 94.505 13.735 15.694 1.00 0.00 C ATOM 839 OE1 GLN A 54 95.560 13.597 15.073 1.00 0.00 O ATOM 840 NE2 GLN A 54 93.321 13.778 15.094 1.00 0.00 N ATOM 0 H GLN A 54 97.141 12.259 19.576 1.00 0.00 H new ATOM 0 HA GLN A 54 94.886 11.452 18.137 1.00 0.00 H new ATOM 0 HB2 GLN A 54 95.888 13.810 18.833 1.00 0.00 H new ATOM 0 HB3 GLN A 54 96.638 13.739 17.251 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.664 13.300 17.612 1.00 0.00 H new ATOM 0 HG3 GLN A 54 94.343 14.910 17.474 1.00 0.00 H new ATOM 0 HE21 GLN A 54 92.472 13.894 15.648 1.00 0.00 H new ATOM 0 HE22 GLN A 54 93.260 13.695 14.079 1.00 0.00 H new ATOM 849 N ASP A 55 97.717 11.274 16.469 1.00 0.00 N ATOM 850 CA ASP A 55 98.334 10.738 15.261 1.00 0.00 C ATOM 851 C ASP A 55 98.129 9.229 15.173 1.00 0.00 C ATOM 852 O ASP A 55 98.017 8.670 14.082 1.00 0.00 O ATOM 853 CB ASP A 55 99.828 11.064 15.236 1.00 0.00 C ATOM 854 CG ASP A 55 100.107 12.447 14.679 1.00 0.00 C ATOM 855 OD1 ASP A 55 100.179 12.584 13.440 1.00 0.00 O ATOM 856 OD2 ASP A 55 100.255 13.391 15.482 1.00 0.00 O ATOM 0 H ASP A 55 98.377 11.646 17.152 1.00 0.00 H new ATOM 0 HA ASP A 55 97.855 11.204 14.400 1.00 0.00 H new ATOM 0 HB2 ASP A 55 100.230 10.994 16.247 1.00 0.00 H new ATOM 0 HB3 ASP A 55 100.350 10.320 14.634 1.00 0.00 H new ATOM 861 N ASP A 56 98.081 8.576 16.330 1.00 0.00 N ATOM 862 CA ASP A 56 97.886 7.133 16.385 1.00 0.00 C ATOM 863 C ASP A 56 96.404 6.784 16.296 1.00 0.00 C ATOM 864 O ASP A 56 96.014 5.866 15.574 1.00 0.00 O ATOM 865 CB ASP A 56 98.479 6.567 17.675 1.00 0.00 C ATOM 866 CG ASP A 56 99.975 6.796 17.772 1.00 0.00 C ATOM 867 OD1 ASP A 56 100.671 6.610 16.752 1.00 0.00 O ATOM 868 OD2 ASP A 56 100.450 7.160 18.868 1.00 0.00 O ATOM 0 H ASP A 56 98.175 9.024 17.242 1.00 0.00 H new ATOM 0 HA ASP A 56 98.399 6.687 15.533 1.00 0.00 H new ATOM 0 HB2 ASP A 56 97.987 7.029 18.531 1.00 0.00 H new ATOM 0 HB3 ASP A 56 98.274 5.498 17.728 1.00 0.00 H new ATOM 873 N GLU A 57 95.582 7.523 17.035 1.00 0.00 N ATOM 874 CA GLU A 57 94.143 7.294 17.036 1.00 0.00 C ATOM 875 C GLU A 57 93.492 7.948 15.822 1.00 0.00 C ATOM 876 O GLU A 57 93.724 9.124 15.538 1.00 0.00 O ATOM 877 CB GLU A 57 93.518 7.842 18.322 1.00 0.00 C ATOM 878 CG GLU A 57 94.061 7.197 19.587 1.00 0.00 C ATOM 879 CD GLU A 57 93.182 7.454 20.796 1.00 0.00 C ATOM 880 OE1 GLU A 57 91.974 7.711 20.607 1.00 0.00 O ATOM 881 OE2 GLU A 57 93.701 7.399 21.931 1.00 0.00 O ATOM 0 H GLU A 57 95.889 8.285 17.640 1.00 0.00 H new ATOM 0 HA GLU A 57 93.969 6.219 16.987 1.00 0.00 H new ATOM 0 HB2 GLU A 57 93.690 8.917 18.370 1.00 0.00 H new ATOM 0 HB3 GLU A 57 92.439 7.694 18.283 1.00 0.00 H new ATOM 0 HG2 GLU A 57 94.153 6.122 19.431 1.00 0.00 H new ATOM 0 HG3 GLU A 57 95.063 7.578 19.783 1.00 0.00 H new ATOM 888 N LYS A 58 92.677 7.180 15.107 1.00 0.00 N ATOM 889 CA LYS A 58 91.996 7.688 13.922 1.00 0.00 C ATOM 890 C LYS A 58 90.874 6.747 13.493 1.00 0.00 C ATOM 891 O LYS A 58 91.118 5.591 13.149 1.00 0.00 O ATOM 892 CB LYS A 58 92.995 7.873 12.776 1.00 0.00 C ATOM 893 CG LYS A 58 93.151 9.319 12.333 1.00 0.00 C ATOM 894 CD LYS A 58 92.011 9.749 11.424 1.00 0.00 C ATOM 895 CE LYS A 58 91.949 11.262 11.283 1.00 0.00 C ATOM 896 NZ LYS A 58 90.574 11.784 11.514 1.00 0.00 N ATOM 0 H LYS A 58 92.472 6.205 15.327 1.00 0.00 H new ATOM 0 HA LYS A 58 91.557 8.654 14.170 1.00 0.00 H new ATOM 0 HB2 LYS A 58 93.967 7.490 13.087 1.00 0.00 H new ATOM 0 HB3 LYS A 58 92.674 7.273 11.924 1.00 0.00 H new ATOM 0 HG2 LYS A 58 93.184 9.967 13.209 1.00 0.00 H new ATOM 0 HG3 LYS A 58 94.100 9.440 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 58 92.138 9.296 10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 58 91.066 9.381 11.825 1.00 0.00 H new ATOM 0 HE2 LYS A 58 92.636 11.722 11.994 1.00 0.00 H new ATOM 0 HE3 LYS A 58 92.283 11.548 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 90.573 12.819 11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 89.922 11.365 10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 90.264 11.533 12.475 1.00 0.00 H new ATOM 910 N LEU A 59 89.646 7.252 13.517 1.00 0.00 N ATOM 911 CA LEU A 59 88.486 6.459 13.132 1.00 0.00 C ATOM 912 C LEU A 59 88.396 6.328 11.615 1.00 0.00 C ATOM 913 O LEU A 59 87.858 7.203 10.937 1.00 0.00 O ATOM 914 CB LEU A 59 87.205 7.094 13.677 1.00 0.00 C ATOM 915 CG LEU A 59 86.862 6.721 15.121 1.00 0.00 C ATOM 916 CD1 LEU A 59 86.290 7.921 15.862 1.00 0.00 C ATOM 917 CD2 LEU A 59 85.882 5.557 15.152 1.00 0.00 C ATOM 0 H LEU A 59 89.428 8.208 13.799 1.00 0.00 H new ATOM 0 HA LEU A 59 88.600 5.463 13.559 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.298 8.178 13.610 1.00 0.00 H new ATOM 0 HB3 LEU A 59 86.373 6.805 13.035 1.00 0.00 H new ATOM 0 HG LEU A 59 87.779 6.413 15.624 1.00 0.00 H new ATOM 0 HD11 LEU A 59 86.052 7.636 16.887 1.00 0.00 H new ATOM 0 HD12 LEU A 59 87.024 8.727 15.870 1.00 0.00 H new ATOM 0 HD13 LEU A 59 85.384 8.260 15.360 1.00 0.00 H new ATOM 0 HD21 LEU A 59 85.649 5.305 16.187 1.00 0.00 H new ATOM 0 HD22 LEU A 59 84.966 5.838 14.632 1.00 0.00 H new ATOM 0 HD23 LEU A 59 86.328 4.693 14.660 1.00 0.00 H new ATOM 929 N SER A 60 88.927 5.228 11.088 1.00 0.00 N ATOM 930 CA SER A 60 88.905 4.982 9.651 1.00 0.00 C ATOM 931 C SER A 60 87.490 4.664 9.178 1.00 0.00 C ATOM 932 O SER A 60 87.086 5.060 8.085 1.00 0.00 O ATOM 933 CB SER A 60 89.847 3.830 9.295 1.00 0.00 C ATOM 934 OG SER A 60 91.118 4.314 8.899 1.00 0.00 O ATOM 0 H SER A 60 89.377 4.494 11.635 1.00 0.00 H new ATOM 0 HA SER A 60 89.244 5.886 9.146 1.00 0.00 H new ATOM 0 HB2 SER A 60 89.958 3.168 10.154 1.00 0.00 H new ATOM 0 HB3 SER A 60 89.413 3.237 8.490 1.00 0.00 H new ATOM 0 HG SER A 60 91.702 3.558 8.679 1.00 0.00 H new ATOM 940 N THR A 61 86.742 3.945 10.009 1.00 0.00 N ATOM 941 CA THR A 61 85.372 3.574 9.679 1.00 0.00 C ATOM 942 C THR A 61 84.392 4.120 10.713 1.00 0.00 C ATOM 943 O THR A 61 84.579 3.937 11.917 1.00 0.00 O ATOM 944 CB THR A 61 85.207 2.047 9.590 1.00 0.00 C ATOM 945 OG1 THR A 61 86.463 1.436 9.268 1.00 0.00 O ATOM 946 CG2 THR A 61 84.173 1.673 8.540 1.00 0.00 C ATOM 0 H THR A 61 87.063 3.608 10.917 1.00 0.00 H new ATOM 0 HA THR A 61 85.153 4.011 8.705 1.00 0.00 H new ATOM 0 HB THR A 61 84.864 1.685 10.559 1.00 0.00 H new ATOM 0 HG1 THR A 61 86.350 0.464 9.215 1.00 0.00 H new ATOM 0 HG21 THR A 61 84.075 0.588 8.496 1.00 0.00 H new ATOM 0 HG22 THR A 61 83.212 2.114 8.803 1.00 0.00 H new ATOM 0 HG23 THR A 61 84.490 2.048 7.567 1.00 0.00 H new ATOM 954 N LEU A 62 83.348 4.790 10.237 1.00 0.00 N ATOM 955 CA LEU A 62 82.339 5.361 11.121 1.00 0.00 C ATOM 956 C LEU A 62 81.398 4.283 11.645 1.00 0.00 C ATOM 957 O LEU A 62 81.484 3.121 11.247 1.00 0.00 O ATOM 958 CB LEU A 62 81.538 6.438 10.386 1.00 0.00 C ATOM 959 CG LEU A 62 82.259 7.775 10.204 1.00 0.00 C ATOM 960 CD1 LEU A 62 81.354 8.776 9.503 1.00 0.00 C ATOM 961 CD2 LEU A 62 82.719 8.316 11.550 1.00 0.00 C ATOM 0 H LEU A 62 83.179 4.951 9.244 1.00 0.00 H new ATOM 0 HA LEU A 62 82.852 5.813 11.970 1.00 0.00 H new ATOM 0 HB2 LEU A 62 81.262 6.056 9.403 1.00 0.00 H new ATOM 0 HB3 LEU A 62 80.611 6.615 10.932 1.00 0.00 H new ATOM 0 HG LEU A 62 83.138 7.614 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 62 81.883 9.722 9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 62 81.073 8.389 8.524 1.00 0.00 H new ATOM 0 HD13 LEU A 62 80.457 8.936 10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 62 83.230 9.268 11.404 1.00 0.00 H new ATOM 0 HD22 LEU A 62 81.855 8.464 12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 62 83.402 7.604 12.014 1.00 0.00 H new ATOM 973 N SER A 63 80.500 4.677 12.542 1.00 0.00 N ATOM 974 CA SER A 63 79.537 3.746 13.120 1.00 0.00 C ATOM 975 C SER A 63 78.109 4.195 12.833 1.00 0.00 C ATOM 976 O SER A 63 77.317 3.448 12.258 1.00 0.00 O ATOM 977 CB SER A 63 79.755 3.627 14.630 1.00 0.00 C ATOM 978 OG SER A 63 80.975 2.966 14.919 1.00 0.00 O ATOM 0 H SER A 63 80.419 5.634 12.884 1.00 0.00 H new ATOM 0 HA SER A 63 79.690 2.770 12.661 1.00 0.00 H new ATOM 0 HB2 SER A 63 79.761 4.620 15.079 1.00 0.00 H new ATOM 0 HB3 SER A 63 78.926 3.079 15.078 1.00 0.00 H new ATOM 0 HG SER A 63 81.092 2.904 15.890 1.00 0.00 H new ATOM 984 N HIS A 64 77.786 5.420 13.236 1.00 0.00 N ATOM 985 CA HIS A 64 76.452 5.969 13.019 1.00 0.00 C ATOM 986 C HIS A 64 76.313 6.514 11.602 1.00 0.00 C ATOM 987 O HIS A 64 77.071 7.390 11.186 1.00 0.00 O ATOM 988 CB HIS A 64 76.160 7.076 14.034 1.00 0.00 C ATOM 989 CG HIS A 64 75.594 6.571 15.324 1.00 0.00 C ATOM 990 ND1 HIS A 64 76.288 5.739 16.177 1.00 0.00 N ATOM 991 CD2 HIS A 64 74.391 6.787 15.910 1.00 0.00 C ATOM 992 CE1 HIS A 64 75.538 5.464 17.229 1.00 0.00 C ATOM 993 NE2 HIS A 64 74.383 6.088 17.091 1.00 0.00 N ATOM 0 H HIS A 64 78.429 6.051 13.714 1.00 0.00 H new ATOM 0 HA HIS A 64 75.729 5.164 13.153 1.00 0.00 H new ATOM 0 HB2 HIS A 64 77.081 7.621 14.240 1.00 0.00 H new ATOM 0 HB3 HIS A 64 75.461 7.786 13.593 1.00 0.00 H new ATOM 0 HD2 HIS A 64 73.588 7.396 15.520 1.00 0.00 H new ATOM 0 HE1 HIS A 64 75.821 4.836 18.060 1.00 0.00 H new ATOM 0 HE2 HIS A 64 73.609 6.056 17.755 1.00 0.00 H new ATOM 1001 N SER A 65 75.338 5.990 10.866 1.00 0.00 N ATOM 1002 CA SER A 65 75.101 6.424 9.495 1.00 0.00 C ATOM 1003 C SER A 65 73.879 5.726 8.906 1.00 0.00 C ATOM 1004 O SER A 65 73.538 4.611 9.302 1.00 0.00 O ATOM 1005 CB SER A 65 76.331 6.140 8.633 1.00 0.00 C ATOM 1006 OG SER A 65 76.217 6.751 7.359 1.00 0.00 O ATOM 0 H SER A 65 74.700 5.265 11.196 1.00 0.00 H new ATOM 0 HA SER A 65 74.911 7.497 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 65 77.224 6.508 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 65 76.454 5.064 8.513 1.00 0.00 H new ATOM 0 HG SER A 65 77.018 6.555 6.829 1.00 0.00 H new ATOM 1012 N TRP A 66 73.224 6.391 7.960 1.00 0.00 N ATOM 1013 CA TRP A 66 72.038 5.836 7.314 1.00 0.00 C ATOM 1014 C TRP A 66 72.244 5.723 5.806 1.00 0.00 C ATOM 1015 O TRP A 66 71.701 6.514 5.034 1.00 0.00 O ATOM 1016 CB TRP A 66 70.803 6.697 7.613 1.00 0.00 C ATOM 1017 CG TRP A 66 71.128 8.116 7.970 1.00 0.00 C ATOM 1018 CD1 TRP A 66 71.654 9.070 7.147 1.00 0.00 C ATOM 1019 CD2 TRP A 66 70.948 8.740 9.246 1.00 0.00 C ATOM 1020 NE1 TRP A 66 71.813 10.249 7.834 1.00 0.00 N ATOM 1021 CE2 TRP A 66 71.387 10.072 9.125 1.00 0.00 C ATOM 1022 CE3 TRP A 66 70.458 8.301 10.480 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 71.350 10.968 10.191 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 70.422 9.192 11.537 1.00 0.00 C ATOM 1025 CH2 TRP A 66 70.865 10.512 11.386 1.00 0.00 C ATOM 0 H TRP A 66 73.494 7.315 7.623 1.00 0.00 H new ATOM 0 HA TRP A 66 71.874 4.837 7.718 1.00 0.00 H new ATOM 0 HB2 TRP A 66 70.148 6.692 6.742 1.00 0.00 H new ATOM 0 HB3 TRP A 66 70.246 6.244 8.433 1.00 0.00 H new ATOM 0 HD1 TRP A 66 71.908 8.920 6.108 1.00 0.00 H new ATOM 0 HE1 TRP A 66 72.187 11.115 7.447 1.00 0.00 H new ATOM 0 HE3 TRP A 66 70.114 7.285 10.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 71.692 11.986 10.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 70.046 8.864 12.495 1.00 0.00 H new ATOM 0 HH2 TRP A 66 70.823 11.184 12.231 1.00 0.00 H new ATOM 1036 N SER A 67 73.033 4.736 5.396 1.00 0.00 N ATOM 1037 CA SER A 67 73.314 4.516 3.984 1.00 0.00 C ATOM 1038 C SER A 67 74.011 3.176 3.775 1.00 0.00 C ATOM 1039 O SER A 67 74.633 2.640 4.693 1.00 0.00 O ATOM 1040 CB SER A 67 74.181 5.648 3.429 1.00 0.00 C ATOM 1041 OG SER A 67 73.845 5.938 2.084 1.00 0.00 O ATOM 0 H SER A 67 73.490 4.075 6.024 1.00 0.00 H new ATOM 0 HA SER A 67 72.365 4.502 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 67 74.052 6.542 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 67 75.233 5.368 3.492 1.00 0.00 H new ATOM 0 HG SER A 67 74.413 6.666 1.755 1.00 0.00 H new ATOM 1047 N GLN A 68 73.901 2.638 2.565 1.00 0.00 N ATOM 1048 CA GLN A 68 74.523 1.360 2.240 1.00 0.00 C ATOM 1049 C GLN A 68 76.044 1.475 2.255 1.00 0.00 C ATOM 1050 O GLN A 68 76.688 1.481 1.206 1.00 0.00 O ATOM 1051 CB GLN A 68 74.048 0.872 0.869 1.00 0.00 C ATOM 1052 CG GLN A 68 74.378 -0.588 0.596 1.00 0.00 C ATOM 1053 CD GLN A 68 73.229 -1.518 0.933 1.00 0.00 C ATOM 1054 OE1 GLN A 68 73.318 -2.323 1.860 1.00 0.00 O ATOM 1055 NE2 GLN A 68 72.140 -1.412 0.179 1.00 0.00 N ATOM 0 H GLN A 68 73.388 3.066 1.795 1.00 0.00 H new ATOM 0 HA GLN A 68 74.225 0.636 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 68 72.970 1.012 0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 68 74.503 1.490 0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 68 74.641 -0.707 -0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 68 75.254 -0.874 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 68 72.109 -0.731 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 68 71.335 -2.012 0.359 1.00 0.00 H new ATOM 1064 N VAL A 69 76.612 1.567 3.453 1.00 0.00 N ATOM 1065 CA VAL A 69 78.056 1.683 3.608 1.00 0.00 C ATOM 1066 C VAL A 69 78.726 0.316 3.523 1.00 0.00 C ATOM 1067 O VAL A 69 79.877 0.202 3.100 1.00 0.00 O ATOM 1068 CB VAL A 69 78.427 2.343 4.950 1.00 0.00 C ATOM 1069 CG1 VAL A 69 77.968 3.793 4.976 1.00 0.00 C ATOM 1070 CG2 VAL A 69 77.826 1.566 6.112 1.00 0.00 C ATOM 0 H VAL A 69 76.093 1.563 4.331 1.00 0.00 H new ATOM 0 HA VAL A 69 78.413 2.313 2.793 1.00 0.00 H new ATOM 0 HB VAL A 69 79.512 2.327 5.054 1.00 0.00 H new ATOM 0 HG11 VAL A 69 78.238 4.243 5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 69 78.450 4.342 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A 69 76.886 3.835 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 69 78.099 2.047 7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 69 76.740 1.548 6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 69 78.208 0.545 6.103 1.00 0.00 H new ATOM 1080 N VAL A 70 77.999 -0.719 3.929 1.00 0.00 N ATOM 1081 CA VAL A 70 78.520 -2.080 3.895 1.00 0.00 C ATOM 1082 C VAL A 70 78.897 -2.484 2.472 1.00 0.00 C ATOM 1083 O VAL A 70 79.861 -3.220 2.260 1.00 0.00 O ATOM 1084 CB VAL A 70 77.494 -3.086 4.454 1.00 0.00 C ATOM 1085 CG1 VAL A 70 76.210 -3.049 3.639 1.00 0.00 C ATOM 1086 CG2 VAL A 70 78.077 -4.492 4.483 1.00 0.00 C ATOM 0 H VAL A 70 77.047 -0.641 4.286 1.00 0.00 H new ATOM 0 HA VAL A 70 79.411 -2.099 4.522 1.00 0.00 H new ATOM 0 HB VAL A 70 77.256 -2.799 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 70 75.498 -3.766 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 70 75.781 -2.048 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 70 76.429 -3.307 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 70 77.336 -5.185 4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 70 78.350 -4.794 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 70 78.963 -4.505 5.117 1.00 0.00 H new ATOM 1096 N ASP A 71 78.130 -1.999 1.502 1.00 0.00 N ATOM 1097 CA ASP A 71 78.382 -2.307 0.099 1.00 0.00 C ATOM 1098 C ASP A 71 79.749 -1.789 -0.335 1.00 0.00 C ATOM 1099 O ASP A 71 80.468 -2.455 -1.081 1.00 0.00 O ATOM 1100 CB ASP A 71 77.290 -1.697 -0.783 1.00 0.00 C ATOM 1101 CG ASP A 71 77.413 -2.123 -2.233 1.00 0.00 C ATOM 1102 OD1 ASP A 71 78.423 -1.763 -2.874 1.00 0.00 O ATOM 1103 OD2 ASP A 71 76.499 -2.815 -2.729 1.00 0.00 O ATOM 0 H ASP A 71 77.327 -1.390 1.662 1.00 0.00 H new ATOM 0 HA ASP A 71 78.370 -3.391 -0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.312 -1.992 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 71 77.342 -0.610 -0.721 1.00 0.00 H new ATOM 1108 N VAL A 72 80.101 -0.598 0.136 1.00 0.00 N ATOM 1109 CA VAL A 72 81.381 0.011 -0.203 1.00 0.00 C ATOM 1110 C VAL A 72 82.546 -0.877 0.223 1.00 0.00 C ATOM 1111 O VAL A 72 83.606 -0.868 -0.402 1.00 0.00 O ATOM 1112 CB VAL A 72 81.537 1.394 0.458 1.00 0.00 C ATOM 1113 CG1 VAL A 72 82.787 2.093 -0.053 1.00 0.00 C ATOM 1114 CG2 VAL A 72 80.301 2.247 0.212 1.00 0.00 C ATOM 0 H VAL A 72 79.517 -0.035 0.754 1.00 0.00 H new ATOM 0 HA VAL A 72 81.396 0.129 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 72 81.643 1.252 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 72 82.880 3.068 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 72 83.663 1.489 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 72 82.715 2.224 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 72 80.430 3.220 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 72 80.160 2.382 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 72 79.427 1.751 0.633 1.00 0.00 H new ATOM 1124 N SER A 73 82.343 -1.642 1.290 1.00 0.00 N ATOM 1125 CA SER A 73 83.379 -2.534 1.799 1.00 0.00 C ATOM 1126 C SER A 73 83.768 -3.580 0.756 1.00 0.00 C ATOM 1127 O SER A 73 84.874 -4.117 0.786 1.00 0.00 O ATOM 1128 CB SER A 73 82.900 -3.225 3.077 1.00 0.00 C ATOM 1129 OG SER A 73 83.965 -3.905 3.719 1.00 0.00 O ATOM 0 H SER A 73 81.471 -1.663 1.819 1.00 0.00 H new ATOM 0 HA SER A 73 84.260 -1.932 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 73 82.474 -2.486 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 73 82.106 -3.932 2.836 1.00 0.00 H new ATOM 0 HG SER A 73 83.601 -4.581 4.328 1.00 0.00 H new ATOM 1135 N GLU A 74 82.853 -3.863 -0.168 1.00 0.00 N ATOM 1136 CA GLU A 74 83.104 -4.847 -1.217 1.00 0.00 C ATOM 1137 C GLU A 74 84.343 -4.481 -2.030 1.00 0.00 C ATOM 1138 O GLU A 74 85.070 -5.359 -2.494 1.00 0.00 O ATOM 1139 CB GLU A 74 81.892 -4.958 -2.142 1.00 0.00 C ATOM 1140 CG GLU A 74 80.616 -5.372 -1.429 1.00 0.00 C ATOM 1141 CD GLU A 74 79.382 -5.183 -2.291 1.00 0.00 C ATOM 1142 OE1 GLU A 74 79.270 -4.124 -2.942 1.00 0.00 O ATOM 1143 OE2 GLU A 74 78.530 -6.096 -2.316 1.00 0.00 O ATOM 0 H GLU A 74 81.933 -3.426 -0.211 1.00 0.00 H new ATOM 0 HA GLU A 74 83.279 -5.810 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 74 81.730 -3.997 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 74 82.110 -5.682 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 74 80.692 -6.418 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 74 80.509 -4.789 -0.514 1.00 0.00 H new ATOM 1150 N VAL A 75 84.578 -3.184 -2.198 1.00 0.00 N ATOM 1151 CA VAL A 75 85.730 -2.709 -2.959 1.00 0.00 C ATOM 1152 C VAL A 75 87.027 -3.311 -2.429 1.00 0.00 C ATOM 1153 O VAL A 75 87.800 -3.905 -3.180 1.00 0.00 O ATOM 1154 CB VAL A 75 85.837 -1.172 -2.923 1.00 0.00 C ATOM 1155 CG1 VAL A 75 86.955 -0.693 -3.836 1.00 0.00 C ATOM 1156 CG2 VAL A 75 84.510 -0.533 -3.311 1.00 0.00 C ATOM 0 H VAL A 75 83.988 -2.444 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 75 85.579 -3.029 -3.990 1.00 0.00 H new ATOM 0 HB VAL A 75 86.075 -0.867 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 75 87.015 0.395 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 75 87.902 -1.121 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 75 86.750 -1.009 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 75 84.606 0.552 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 75 84.237 -0.844 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 75 83.736 -0.849 -2.612 1.00 0.00 H new ATOM 1166 N LEU A 76 87.260 -3.153 -1.130 1.00 0.00 N ATOM 1167 CA LEU A 76 88.463 -3.683 -0.500 1.00 0.00 C ATOM 1168 C LEU A 76 88.456 -5.209 -0.514 1.00 0.00 C ATOM 1169 O LEU A 76 89.511 -5.844 -0.527 1.00 0.00 O ATOM 1170 CB LEU A 76 88.577 -3.174 0.939 1.00 0.00 C ATOM 1171 CG LEU A 76 89.339 -1.855 1.100 1.00 0.00 C ATOM 1172 CD1 LEU A 76 88.374 -0.704 1.336 1.00 0.00 C ATOM 1173 CD2 LEU A 76 90.341 -1.954 2.241 1.00 0.00 C ATOM 0 H LEU A 76 86.632 -2.662 -0.494 1.00 0.00 H new ATOM 0 HA LEU A 76 89.325 -3.336 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 76 87.573 -3.048 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 76 89.071 -3.937 1.541 1.00 0.00 H new ATOM 0 HG LEU A 76 89.885 -1.660 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 76 88.935 0.224 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 76 87.696 -0.618 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 76 87.799 -0.892 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 76 90.873 -1.008 2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 76 89.814 -2.174 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 76 91.054 -2.751 2.031 1.00 0.00 H new ATOM 1185 N ARG A 77 87.261 -5.791 -0.510 1.00 0.00 N ATOM 1186 CA ARG A 77 87.115 -7.241 -0.524 1.00 0.00 C ATOM 1187 C ARG A 77 87.737 -7.839 -1.781 1.00 0.00 C ATOM 1188 O ARG A 77 88.742 -8.545 -1.712 1.00 0.00 O ATOM 1189 CB ARG A 77 85.637 -7.626 -0.439 1.00 0.00 C ATOM 1190 CG ARG A 77 85.388 -8.928 0.303 1.00 0.00 C ATOM 1191 CD ARG A 77 85.417 -8.727 1.810 1.00 0.00 C ATOM 1192 NE ARG A 77 84.253 -9.317 2.465 1.00 0.00 N ATOM 1193 CZ ARG A 77 83.024 -8.811 2.390 1.00 0.00 C ATOM 1194 NH1 ARG A 77 82.794 -7.706 1.691 1.00 0.00 N ATOM 1195 NH2 ARG A 77 82.022 -9.412 3.017 1.00 0.00 N ATOM 0 H ARG A 77 86.379 -5.279 -0.497 1.00 0.00 H new ATOM 0 HA ARG A 77 87.639 -7.642 0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 77 85.090 -6.825 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 77 85.234 -7.710 -1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 77 84.421 -9.336 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 77 86.144 -9.660 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 77 86.325 -9.171 2.217 1.00 0.00 H new ATOM 0 HD3 ARG A 77 85.456 -7.661 2.032 1.00 0.00 H new ATOM 0 HE ARG A 77 84.390 -10.167 3.012 1.00 0.00 H new ATOM 0 HH11 ARG A 77 83.561 -7.240 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 77 81.850 -7.324 1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 77 82.193 -10.261 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 77 81.080 -9.025 2.960 1.00 0.00 H new ATOM 1209 N ASP A 78 87.133 -7.551 -2.929 1.00 0.00 N ATOM 1210 CA ASP A 78 87.631 -8.059 -4.202 1.00 0.00 C ATOM 1211 C ASP A 78 89.062 -7.592 -4.447 1.00 0.00 C ATOM 1212 O ASP A 78 89.933 -8.386 -4.801 1.00 0.00 O ATOM 1213 CB ASP A 78 86.726 -7.601 -5.347 1.00 0.00 C ATOM 1214 CG ASP A 78 85.260 -7.865 -5.068 1.00 0.00 C ATOM 1215 OD1 ASP A 78 84.635 -7.050 -4.355 1.00 0.00 O ATOM 1216 OD2 ASP A 78 84.735 -8.884 -5.562 1.00 0.00 O ATOM 0 H ASP A 78 86.299 -6.969 -3.004 1.00 0.00 H new ATOM 0 HA ASP A 78 87.625 -9.148 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 78 86.874 -6.535 -5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 78 87.017 -8.115 -6.263 1.00 0.00 H new ATOM 1221 N GLY A 79 89.294 -6.298 -4.257 1.00 0.00 N ATOM 1222 CA GLY A 79 90.621 -5.743 -4.457 1.00 0.00 C ATOM 1223 C GLY A 79 90.659 -4.682 -5.537 1.00 0.00 C ATOM 1224 O GLY A 79 91.621 -3.921 -5.633 1.00 0.00 O ATOM 0 H GLY A 79 88.587 -5.622 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.975 -5.313 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 79 91.310 -6.546 -4.719 1.00 0.00 H new ATOM 1228 N THR A 80 89.612 -4.627 -6.354 1.00 0.00 N ATOM 1229 CA THR A 80 89.539 -3.648 -7.429 1.00 0.00 C ATOM 1230 C THR A 80 89.648 -2.224 -6.884 1.00 0.00 C ATOM 1231 O THR A 80 88.728 -1.733 -6.228 1.00 0.00 O ATOM 1232 CB THR A 80 88.226 -3.785 -8.223 1.00 0.00 C ATOM 1233 OG1 THR A 80 87.118 -3.903 -7.322 1.00 0.00 O ATOM 1234 CG2 THR A 80 88.272 -4.999 -9.140 1.00 0.00 C ATOM 0 H THR A 80 88.805 -5.248 -6.291 1.00 0.00 H new ATOM 0 HA THR A 80 90.379 -3.844 -8.095 1.00 0.00 H new ATOM 0 HB THR A 80 88.103 -2.891 -8.835 1.00 0.00 H new ATOM 0 HG1 THR A 80 87.223 -3.262 -6.588 1.00 0.00 H new ATOM 0 HG21 THR A 80 87.334 -5.075 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 80 89.098 -4.893 -9.843 1.00 0.00 H new ATOM 0 HG23 THR A 80 88.417 -5.900 -8.544 1.00 0.00 H new ATOM 1242 N PRO A 81 90.774 -1.537 -7.150 1.00 0.00 N ATOM 1243 CA PRO A 81 90.992 -0.166 -6.674 1.00 0.00 C ATOM 1244 C PRO A 81 90.080 0.845 -7.363 1.00 0.00 C ATOM 1245 O PRO A 81 90.223 1.117 -8.555 1.00 0.00 O ATOM 1246 CB PRO A 81 92.456 0.108 -7.025 1.00 0.00 C ATOM 1247 CG PRO A 81 92.755 -0.808 -8.159 1.00 0.00 C ATOM 1248 CD PRO A 81 91.924 -2.039 -7.929 1.00 0.00 C ATOM 0 HA PRO A 81 90.769 -0.068 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 81 92.606 1.150 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 81 93.110 -0.089 -6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 81 92.506 -0.342 -9.113 1.00 0.00 H new ATOM 0 HG3 PRO A 81 93.816 -1.054 -8.192 1.00 0.00 H new ATOM 0 HD2 PRO A 81 91.606 -2.490 -8.869 1.00 0.00 H new ATOM 0 HD3 PRO A 81 92.478 -2.801 -7.381 1.00 0.00 H new ATOM 1256 N ARG A 82 89.143 1.399 -6.600 1.00 0.00 N ATOM 1257 CA ARG A 82 88.207 2.387 -7.124 1.00 0.00 C ATOM 1258 C ARG A 82 87.839 3.393 -6.039 1.00 0.00 C ATOM 1259 O ARG A 82 87.749 3.041 -4.863 1.00 0.00 O ATOM 1260 CB ARG A 82 86.948 1.701 -7.658 1.00 0.00 C ATOM 1261 CG ARG A 82 86.125 1.009 -6.582 1.00 0.00 C ATOM 1262 CD ARG A 82 84.786 0.537 -7.125 1.00 0.00 C ATOM 1263 NE ARG A 82 83.969 1.647 -7.607 1.00 0.00 N ATOM 1264 CZ ARG A 82 82.698 1.524 -7.984 1.00 0.00 C ATOM 1265 NH1 ARG A 82 82.094 0.342 -7.931 1.00 0.00 N ATOM 1266 NH2 ARG A 82 82.029 2.585 -8.412 1.00 0.00 N ATOM 0 H ARG A 82 89.012 1.179 -5.613 1.00 0.00 H new ATOM 0 HA ARG A 82 88.688 2.918 -7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 82 86.325 2.443 -8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 82 87.236 0.967 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.680 0.158 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.961 1.694 -5.750 1.00 0.00 H new ATOM 0 HD2 ARG A 82 84.953 -0.170 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 82 84.246 0.002 -6.344 1.00 0.00 H new ATOM 0 HE ARG A 82 84.397 2.571 -7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 82 82.604 -0.477 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 82 81.120 0.253 -8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 82 82.488 3.495 -8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 82 81.055 2.491 -8.701 1.00 0.00 H new ATOM 1280 N ARG A 83 87.626 4.646 -6.432 1.00 0.00 N ATOM 1281 CA ARG A 83 87.278 5.689 -5.472 1.00 0.00 C ATOM 1282 C ARG A 83 85.807 6.081 -5.577 1.00 0.00 C ATOM 1283 O ARG A 83 85.417 6.860 -6.447 1.00 0.00 O ATOM 1284 CB ARG A 83 88.166 6.920 -5.680 1.00 0.00 C ATOM 1285 CG ARG A 83 87.949 7.614 -7.015 1.00 0.00 C ATOM 1286 CD ARG A 83 89.143 8.472 -7.401 1.00 0.00 C ATOM 1287 NE ARG A 83 88.861 9.899 -7.252 1.00 0.00 N ATOM 1288 CZ ARG A 83 87.979 10.563 -7.996 1.00 0.00 C ATOM 1289 NH1 ARG A 83 87.297 9.935 -8.945 1.00 0.00 N ATOM 1290 NH2 ARG A 83 87.781 11.857 -7.790 1.00 0.00 N ATOM 0 H ARG A 83 87.688 4.962 -7.400 1.00 0.00 H new ATOM 0 HA ARG A 83 87.447 5.288 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 83 87.978 7.632 -4.876 1.00 0.00 H new ATOM 0 HB3 ARG A 83 89.211 6.620 -5.603 1.00 0.00 H new ATOM 0 HG2 ARG A 83 87.771 6.867 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 83 87.056 8.236 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 83 89.998 8.204 -6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 83 89.421 8.263 -8.434 1.00 0.00 H new ATOM 0 HE ARG A 83 89.370 10.416 -6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 83 87.447 8.939 -9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 83 86.622 10.448 -9.512 1.00 0.00 H new ATOM 0 HH21 ARG A 83 88.304 12.343 -7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 83 87.105 12.367 -8.360 1.00 0.00 H new ATOM 1304 N ASP A 84 84.993 5.531 -4.683 1.00 0.00 N ATOM 1305 CA ASP A 84 83.567 5.835 -4.651 1.00 0.00 C ATOM 1306 C ASP A 84 83.031 5.695 -3.233 1.00 0.00 C ATOM 1307 O ASP A 84 82.720 4.591 -2.787 1.00 0.00 O ATOM 1308 CB ASP A 84 82.812 4.891 -5.579 1.00 0.00 C ATOM 1309 CG ASP A 84 82.311 5.581 -6.832 1.00 0.00 C ATOM 1310 OD1 ASP A 84 81.512 6.533 -6.707 1.00 0.00 O ATOM 1311 OD2 ASP A 84 82.719 5.170 -7.939 1.00 0.00 O ATOM 0 H ASP A 84 85.298 4.870 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 84 83.422 6.862 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 84 83.465 4.065 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 84 81.966 4.460 -5.043 1.00 0.00 H new ATOM 1316 N GLU A 85 82.924 6.810 -2.527 1.00 0.00 N ATOM 1317 CA GLU A 85 82.435 6.790 -1.155 1.00 0.00 C ATOM 1318 C GLU A 85 81.775 8.110 -0.783 1.00 0.00 C ATOM 1319 O GLU A 85 82.140 9.163 -1.306 1.00 0.00 O ATOM 1320 CB GLU A 85 83.585 6.484 -0.195 1.00 0.00 C ATOM 1321 CG GLU A 85 84.688 5.639 -0.817 1.00 0.00 C ATOM 1322 CD GLU A 85 85.928 5.559 0.049 1.00 0.00 C ATOM 1323 OE1 GLU A 85 86.035 6.350 1.010 1.00 0.00 O ATOM 1324 OE2 GLU A 85 86.793 4.703 -0.232 1.00 0.00 O ATOM 0 H GLU A 85 83.167 7.736 -2.878 1.00 0.00 H new ATOM 0 HA GLU A 85 81.682 6.006 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 85 84.013 7.423 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 85 83.190 5.965 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 85 84.310 4.632 -0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 85 84.955 6.057 -1.788 1.00 0.00 H new ATOM 1331 N GLU A 86 80.804 8.055 0.120 1.00 0.00 N ATOM 1332 CA GLU A 86 80.124 9.263 0.567 1.00 0.00 C ATOM 1333 C GLU A 86 79.758 9.192 2.024 1.00 0.00 C ATOM 1334 O GLU A 86 78.731 8.645 2.430 1.00 0.00 O ATOM 1335 CB GLU A 86 78.872 9.523 -0.271 1.00 0.00 C ATOM 1336 CG GLU A 86 78.127 10.788 0.134 1.00 0.00 C ATOM 1337 CD GLU A 86 77.558 11.537 -1.056 1.00 0.00 C ATOM 1338 OE1 GLU A 86 77.467 10.937 -2.147 1.00 0.00 O ATOM 1339 OE2 GLU A 86 77.204 12.723 -0.896 1.00 0.00 O ATOM 0 H GLU A 86 80.472 7.194 0.554 1.00 0.00 H new ATOM 0 HA GLU A 86 80.821 10.090 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 86 79.155 9.597 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 86 78.200 8.670 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU A 86 77.317 10.526 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 86 78.804 11.444 0.682 1.00 0.00 H new ATOM 1346 N ILE A 87 80.650 9.769 2.782 1.00 0.00 N ATOM 1347 CA ILE A 87 80.493 9.981 4.184 1.00 0.00 C ATOM 1348 C ILE A 87 80.751 11.452 4.265 1.00 0.00 C ATOM 1349 O ILE A 87 81.896 11.887 4.340 1.00 0.00 O ATOM 1350 CB ILE A 87 81.519 9.186 5.031 1.00 0.00 C ATOM 1351 CG1 ILE A 87 81.051 7.739 5.212 1.00 0.00 C ATOM 1352 CG2 ILE A 87 81.749 9.848 6.387 1.00 0.00 C ATOM 1353 CD1 ILE A 87 82.058 6.715 4.738 1.00 0.00 C ATOM 0 H ILE A 87 81.538 10.116 2.420 1.00 0.00 H new ATOM 0 HA ILE A 87 79.530 9.653 4.574 1.00 0.00 H new ATOM 0 HB ILE A 87 82.469 9.184 4.496 1.00 0.00 H new ATOM 0 HG12 ILE A 87 80.836 7.564 6.266 1.00 0.00 H new ATOM 0 HG13 ILE A 87 80.117 7.597 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 87 82.473 9.267 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 87 82.130 10.858 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 87 80.808 9.892 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 87 81.660 5.713 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 87 82.255 6.863 3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 87 82.985 6.830 5.299 1.00 0.00 H new ATOM 1365 N THR A 88 79.694 12.227 4.227 1.00 0.00 N ATOM 1366 CA THR A 88 79.859 13.653 4.181 1.00 0.00 C ATOM 1367 C THR A 88 79.496 14.313 5.510 1.00 0.00 C ATOM 1368 O THR A 88 78.372 14.777 5.702 1.00 0.00 O ATOM 1369 CB THR A 88 79.055 14.270 3.013 1.00 0.00 C ATOM 1370 OG1 THR A 88 78.502 15.537 3.388 1.00 0.00 O ATOM 1371 CG2 THR A 88 77.946 13.343 2.548 1.00 0.00 C ATOM 0 H THR A 88 78.728 11.899 4.227 1.00 0.00 H new ATOM 0 HA THR A 88 80.916 13.849 4.003 1.00 0.00 H new ATOM 0 HB THR A 88 79.749 14.415 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 88 77.856 15.410 4.114 1.00 0.00 H new ATOM 0 HG21 THR A 88 77.402 13.810 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 88 78.377 12.401 2.209 1.00 0.00 H new ATOM 0 HG23 THR A 88 77.261 13.152 3.374 1.00 0.00 H new ATOM 1379 N ILE A 89 80.462 14.345 6.426 1.00 0.00 N ATOM 1380 CA ILE A 89 80.261 14.937 7.747 1.00 0.00 C ATOM 1381 C ILE A 89 79.545 16.284 7.665 1.00 0.00 C ATOM 1382 O ILE A 89 78.763 16.635 8.549 1.00 0.00 O ATOM 1383 CB ILE A 89 81.602 15.121 8.490 1.00 0.00 C ATOM 1384 CG1 ILE A 89 82.475 16.170 7.790 1.00 0.00 C ATOM 1385 CG2 ILE A 89 82.337 13.791 8.594 1.00 0.00 C ATOM 1386 CD1 ILE A 89 82.992 15.731 6.436 1.00 0.00 C ATOM 0 H ILE A 89 81.397 13.966 6.276 1.00 0.00 H new ATOM 0 HA ILE A 89 79.633 14.241 8.303 1.00 0.00 H new ATOM 0 HB ILE A 89 81.390 15.478 9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 89 81.898 17.087 7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 89 83.323 16.410 8.432 1.00 0.00 H new ATOM 0 HG21 ILE A 89 83.280 13.937 9.120 1.00 0.00 H new ATOM 0 HG22 ILE A 89 81.722 13.077 9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 89 82.535 13.406 7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 89 83.601 16.525 6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 89 83.598 14.832 6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 89 82.150 15.519 5.776 1.00 0.00 H new ATOM 1398 N LYS A 90 79.815 17.033 6.602 1.00 0.00 N ATOM 1399 CA LYS A 90 79.196 18.340 6.412 1.00 0.00 C ATOM 1400 C LYS A 90 78.365 18.364 5.133 1.00 0.00 C ATOM 1401 O LYS A 90 77.146 18.537 5.175 1.00 0.00 O ATOM 1402 CB LYS A 90 80.269 19.431 6.364 1.00 0.00 C ATOM 1403 CG LYS A 90 80.153 20.447 7.487 1.00 0.00 C ATOM 1404 CD LYS A 90 80.980 21.690 7.202 1.00 0.00 C ATOM 1405 CE LYS A 90 82.360 21.599 7.833 1.00 0.00 C ATOM 1406 NZ LYS A 90 83.356 22.442 7.114 1.00 0.00 N ATOM 0 H LYS A 90 80.458 16.758 5.859 1.00 0.00 H new ATOM 0 HA LYS A 90 78.533 18.531 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 90 81.253 18.964 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 90 80.205 19.950 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 90 79.108 20.727 7.619 1.00 0.00 H new ATOM 0 HG3 LYS A 90 80.483 19.996 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 90 81.080 21.823 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 90 80.461 22.569 7.585 1.00 0.00 H new ATOM 0 HE2 LYS A 90 82.304 21.913 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 90 82.693 20.561 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 84.284 22.352 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 83.429 22.127 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 83.052 23.436 7.139 1.00 0.00 H new ATOM 1420 N ASP A 91 79.034 18.191 4.000 1.00 0.00 N ATOM 1421 CA ASP A 91 78.362 18.193 2.705 1.00 0.00 C ATOM 1422 C ASP A 91 79.217 17.499 1.653 1.00 0.00 C ATOM 1423 O ASP A 91 78.711 16.732 0.834 1.00 0.00 O ATOM 1424 CB ASP A 91 78.053 19.626 2.268 1.00 0.00 C ATOM 1425 CG ASP A 91 79.257 20.540 2.387 1.00 0.00 C ATOM 1426 OD1 ASP A 91 79.450 21.131 3.470 1.00 0.00 O ATOM 1427 OD2 ASP A 91 80.007 20.664 1.395 1.00 0.00 O ATOM 0 H ASP A 91 80.043 18.047 3.951 1.00 0.00 H new ATOM 0 HA ASP A 91 77.425 17.645 2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 91 77.705 19.621 1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 91 77.239 20.021 2.876 1.00 0.00 H new ATOM 1432 N ARG A 92 80.517 17.773 1.679 1.00 0.00 N ATOM 1433 CA ARG A 92 81.442 17.169 0.730 1.00 0.00 C ATOM 1434 C ARG A 92 81.729 15.718 1.100 1.00 0.00 C ATOM 1435 O ARG A 92 82.464 15.441 2.048 1.00 0.00 O ATOM 1436 CB ARG A 92 82.748 17.966 0.681 1.00 0.00 C ATOM 1437 CG ARG A 92 83.768 17.407 -0.298 1.00 0.00 C ATOM 1438 CD ARG A 92 83.228 17.392 -1.721 1.00 0.00 C ATOM 1439 NE ARG A 92 84.127 18.068 -2.654 1.00 0.00 N ATOM 1440 CZ ARG A 92 85.364 17.658 -2.923 1.00 0.00 C ATOM 1441 NH1 ARG A 92 85.853 16.572 -2.339 1.00 0.00 N ATOM 1442 NH2 ARG A 92 86.114 18.335 -3.782 1.00 0.00 N ATOM 0 H ARG A 92 80.953 18.409 2.347 1.00 0.00 H new ATOM 0 HA ARG A 92 80.977 17.188 -0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 92 82.524 18.998 0.409 1.00 0.00 H new ATOM 0 HB3 ARG A 92 83.188 17.987 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 92 84.677 18.007 -0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 92 84.041 16.394 -0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 92 83.081 16.361 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 92 82.251 17.876 -1.743 1.00 0.00 H new ATOM 0 HE ARG A 92 83.786 18.904 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 92 85.280 16.046 -1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 92 86.802 16.263 -2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 92 85.743 19.169 -4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 92 87.062 18.021 -3.989 1.00 0.00 H new ATOM 1456 N LEU A 93 81.137 14.795 0.343 1.00 0.00 N ATOM 1457 CA LEU A 93 81.320 13.362 0.573 1.00 0.00 C ATOM 1458 C LEU A 93 82.787 13.032 0.867 1.00 0.00 C ATOM 1459 O LEU A 93 83.690 13.618 0.271 1.00 0.00 O ATOM 1460 CB LEU A 93 80.857 12.579 -0.659 1.00 0.00 C ATOM 1461 CG LEU A 93 81.323 13.145 -2.004 1.00 0.00 C ATOM 1462 CD1 LEU A 93 81.674 12.019 -2.964 1.00 0.00 C ATOM 1463 CD2 LEU A 93 80.253 14.047 -2.604 1.00 0.00 C ATOM 0 H LEU A 93 80.522 15.016 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 93 80.723 13.077 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 93 81.213 11.552 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 93 79.768 12.540 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 93 82.219 13.742 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 93 82.003 12.440 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 93 82.475 11.414 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 93 80.796 11.394 -3.129 1.00 0.00 H new ATOM 0 HD21 LEU A 93 80.602 14.440 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 93 79.339 13.474 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 93 80.051 14.874 -1.924 1.00 0.00 H new ATOM 1475 N LEU A 94 83.021 12.094 1.784 1.00 0.00 N ATOM 1476 CA LEU A 94 84.385 11.696 2.133 1.00 0.00 C ATOM 1477 C LEU A 94 84.781 10.410 1.421 1.00 0.00 C ATOM 1478 O LEU A 94 84.287 9.331 1.750 1.00 0.00 O ATOM 1479 CB LEU A 94 84.534 11.478 3.643 1.00 0.00 C ATOM 1480 CG LEU A 94 84.393 12.727 4.514 1.00 0.00 C ATOM 1481 CD1 LEU A 94 83.990 12.341 5.933 1.00 0.00 C ATOM 1482 CD2 LEU A 94 85.691 13.522 4.520 1.00 0.00 C ATOM 0 H LEU A 94 82.291 11.599 2.295 1.00 0.00 H new ATOM 0 HA LEU A 94 85.039 12.509 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 94 83.787 10.750 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 94 85.512 11.035 3.832 1.00 0.00 H new ATOM 0 HG LEU A 94 83.609 13.357 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 94 83.894 13.240 6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 94 83.036 11.815 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 94 84.752 11.692 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 94 85.573 14.407 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 94 86.495 12.903 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 94 85.936 13.826 3.502 1.00 0.00 H new ATOM 1494 N LEU A 95 85.670 10.527 0.444 1.00 0.00 N ATOM 1495 CA LEU A 95 86.147 9.363 -0.287 1.00 0.00 C ATOM 1496 C LEU A 95 87.621 9.133 0.009 1.00 0.00 C ATOM 1497 O LEU A 95 88.489 9.846 -0.493 1.00 0.00 O ATOM 1498 CB LEU A 95 85.925 9.526 -1.792 1.00 0.00 C ATOM 1499 CG LEU A 95 86.370 10.872 -2.371 1.00 0.00 C ATOM 1500 CD1 LEU A 95 86.960 10.689 -3.760 1.00 0.00 C ATOM 1501 CD2 LEU A 95 85.202 11.846 -2.410 1.00 0.00 C ATOM 0 H LEU A 95 86.074 11.413 0.141 1.00 0.00 H new ATOM 0 HA LEU A 95 85.577 8.495 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 95 86.459 8.730 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 95 84.865 9.389 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 95 87.143 11.286 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 95 87.270 11.657 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 95 87.824 10.026 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 95 86.210 10.252 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 95 85.535 12.798 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 95 84.408 11.437 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 95 84.825 12.002 -1.399 1.00 0.00 H new ATOM 1513 N ILE A 96 87.891 8.128 0.831 1.00 0.00 N ATOM 1514 CA ILE A 96 89.252 7.795 1.218 1.00 0.00 C ATOM 1515 C ILE A 96 89.766 6.631 0.377 1.00 0.00 C ATOM 1516 O ILE A 96 89.003 5.741 0.003 1.00 0.00 O ATOM 1517 CB ILE A 96 89.317 7.436 2.722 1.00 0.00 C ATOM 1518 CG1 ILE A 96 88.801 8.607 3.570 1.00 0.00 C ATOM 1519 CG2 ILE A 96 90.737 7.067 3.136 1.00 0.00 C ATOM 1520 CD1 ILE A 96 87.303 8.831 3.475 1.00 0.00 C ATOM 0 H ILE A 96 87.179 7.526 1.244 1.00 0.00 H new ATOM 0 HA ILE A 96 89.885 8.665 1.043 1.00 0.00 H new ATOM 0 HB ILE A 96 88.679 6.569 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 96 89.065 8.430 4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.314 9.518 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 96 90.754 6.819 4.197 1.00 0.00 H new ATOM 0 HG22 ILE A 96 91.073 6.207 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 96 91.401 7.911 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 96 87.021 9.676 4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 96 87.031 9.042 2.441 1.00 0.00 H new ATOM 0 HD13 ILE A 96 86.779 7.937 3.813 1.00 0.00 H new ATOM 1532 N ASN A 97 91.062 6.637 0.080 1.00 0.00 N ATOM 1533 CA ASN A 97 91.653 5.589 -0.740 1.00 0.00 C ATOM 1534 C ASN A 97 92.343 4.527 0.108 1.00 0.00 C ATOM 1535 O ASN A 97 93.342 4.794 0.777 1.00 0.00 O ATOM 1536 CB ASN A 97 92.651 6.195 -1.727 1.00 0.00 C ATOM 1537 CG ASN A 97 91.967 6.852 -2.910 1.00 0.00 C ATOM 1538 OD1 ASN A 97 91.944 6.306 -4.012 1.00 0.00 O ATOM 1539 ND2 ASN A 97 91.402 8.034 -2.685 1.00 0.00 N ATOM 0 H ASN A 97 91.718 7.352 0.394 1.00 0.00 H new ATOM 0 HA ASN A 97 90.845 5.104 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 97 93.266 6.932 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 97 93.322 5.415 -2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 97 90.926 8.524 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 97 91.445 8.451 -1.755 1.00 0.00 H new ATOM 1546 N THR A 98 91.792 3.318 0.069 1.00 0.00 N ATOM 1547 CA THR A 98 92.338 2.189 0.812 1.00 0.00 C ATOM 1548 C THR A 98 92.392 0.952 -0.078 1.00 0.00 C ATOM 1549 O THR A 98 91.380 0.285 -0.289 1.00 0.00 O ATOM 1550 CB THR A 98 91.496 1.873 2.063 1.00 0.00 C ATOM 1551 OG1 THR A 98 90.115 2.154 1.809 1.00 0.00 O ATOM 1552 CG2 THR A 98 91.973 2.688 3.255 1.00 0.00 C ATOM 0 H THR A 98 90.959 3.094 -0.476 1.00 0.00 H new ATOM 0 HA THR A 98 93.343 2.463 1.131 1.00 0.00 H new ATOM 0 HB THR A 98 91.614 0.815 2.295 1.00 0.00 H new ATOM 0 HG1 THR A 98 89.587 1.949 2.609 1.00 0.00 H new ATOM 0 HG21 THR A 98 91.364 2.448 4.127 1.00 0.00 H new ATOM 0 HG22 THR A 98 93.016 2.450 3.464 1.00 0.00 H new ATOM 0 HG23 THR A 98 91.881 3.750 3.029 1.00 0.00 H new ATOM 1560 N VAL A 99 93.578 0.651 -0.596 1.00 0.00 N ATOM 1561 CA VAL A 99 93.754 -0.498 -1.476 1.00 0.00 C ATOM 1562 C VAL A 99 94.332 -1.696 -0.725 1.00 0.00 C ATOM 1563 O VAL A 99 95.165 -1.536 0.167 1.00 0.00 O ATOM 1564 CB VAL A 99 94.678 -0.150 -2.662 1.00 0.00 C ATOM 1565 CG1 VAL A 99 96.063 0.240 -2.167 1.00 0.00 C ATOM 1566 CG2 VAL A 99 94.761 -1.312 -3.639 1.00 0.00 C ATOM 0 H VAL A 99 94.429 1.185 -0.422 1.00 0.00 H new ATOM 0 HA VAL A 99 92.766 -0.763 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 99 94.252 0.704 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 99 96.699 0.482 -3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.985 1.110 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 99 96.499 -0.591 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.417 -1.045 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.159 -2.189 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 99 93.766 -1.536 -4.023 1.00 0.00 H new ATOM 1576 N PRO A 100 93.891 -2.919 -1.079 1.00 0.00 N ATOM 1577 CA PRO A 100 94.358 -4.147 -0.454 1.00 0.00 C ATOM 1578 C PRO A 100 95.439 -4.841 -1.275 1.00 0.00 C ATOM 1579 O PRO A 100 95.465 -4.734 -2.501 1.00 0.00 O ATOM 1580 CB PRO A 100 93.086 -4.984 -0.450 1.00 0.00 C ATOM 1581 CG PRO A 100 92.383 -4.601 -1.715 1.00 0.00 C ATOM 1582 CD PRO A 100 92.859 -3.211 -2.087 1.00 0.00 C ATOM 0 HA PRO A 100 94.811 -3.984 0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 100 93.312 -6.050 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 100 92.473 -4.770 0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 100 92.608 -5.311 -2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 100 91.302 -4.613 -1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 100 93.266 -3.183 -3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 100 92.046 -2.486 -2.051 1.00 0.00 H new ATOM 1590 N VAL A 101 96.332 -5.554 -0.593 1.00 0.00 N ATOM 1591 CA VAL A 101 97.415 -6.269 -1.262 1.00 0.00 C ATOM 1592 C VAL A 101 96.887 -7.103 -2.427 1.00 0.00 C ATOM 1593 O VAL A 101 96.382 -8.208 -2.232 1.00 0.00 O ATOM 1594 CB VAL A 101 98.168 -7.190 -0.283 1.00 0.00 C ATOM 1595 CG1 VAL A 101 99.374 -7.823 -0.960 1.00 0.00 C ATOM 1596 CG2 VAL A 101 98.587 -6.418 0.959 1.00 0.00 C ATOM 0 H VAL A 101 96.327 -5.652 0.422 1.00 0.00 H new ATOM 0 HA VAL A 101 98.105 -5.516 -1.643 1.00 0.00 H new ATOM 0 HB VAL A 101 97.495 -7.990 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 101 99.891 -8.469 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 101 99.043 -8.413 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 101 100.053 -7.041 -1.300 1.00 0.00 H new ATOM 0 HG21 VAL A 101 99.118 -7.084 1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 101 99.242 -5.595 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 101 97.702 -6.021 1.456 1.00 0.00 H new ATOM 1606 N ARG A 102 97.009 -6.563 -3.635 1.00 0.00 N ATOM 1607 CA ARG A 102 96.543 -7.253 -4.835 1.00 0.00 C ATOM 1608 C ARG A 102 97.162 -8.643 -4.945 1.00 0.00 C ATOM 1609 O ARG A 102 98.357 -8.783 -5.200 1.00 0.00 O ATOM 1610 CB ARG A 102 96.878 -6.434 -6.082 1.00 0.00 C ATOM 1611 CG ARG A 102 96.303 -5.027 -6.057 1.00 0.00 C ATOM 1612 CD ARG A 102 96.330 -4.391 -7.437 1.00 0.00 C ATOM 1613 NE ARG A 102 95.094 -4.634 -8.176 1.00 0.00 N ATOM 1614 CZ ARG A 102 94.702 -3.910 -9.222 1.00 0.00 C ATOM 1615 NH1 ARG A 102 95.444 -2.899 -9.655 1.00 0.00 N ATOM 1616 NH2 ARG A 102 93.562 -4.199 -9.836 1.00 0.00 N ATOM 0 H ARG A 102 97.427 -5.649 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 102 95.461 -7.364 -4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 102 97.961 -6.373 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 102 96.502 -6.956 -6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 102 95.277 -5.058 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 102 96.873 -4.412 -5.360 1.00 0.00 H new ATOM 0 HD2 ARG A 102 96.488 -3.317 -7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 102 97.174 -4.787 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 102 94.496 -5.403 -7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 102 96.321 -2.672 -9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 102 95.138 -2.348 -10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 102 92.988 -4.975 -9.506 1.00 0.00 H new ATOM 0 HH22 ARG A 102 93.260 -3.645 -10.638 1.00 0.00 H new ATOM 1630 N SER A 103 96.337 -9.666 -4.752 1.00 0.00 N ATOM 1631 CA SER A 103 96.799 -11.046 -4.830 1.00 0.00 C ATOM 1632 C SER A 103 95.690 -11.959 -5.342 1.00 0.00 C ATOM 1633 O SER A 103 94.537 -11.844 -4.929 1.00 0.00 O ATOM 1634 CB SER A 103 97.276 -11.525 -3.458 1.00 0.00 C ATOM 1635 OG SER A 103 98.222 -12.573 -3.584 1.00 0.00 O ATOM 0 H SER A 103 95.344 -9.565 -4.540 1.00 0.00 H new ATOM 0 HA SER A 103 97.633 -11.086 -5.530 1.00 0.00 H new ATOM 0 HB2 SER A 103 97.721 -10.692 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 103 96.423 -11.869 -2.873 1.00 0.00 H new ATOM 0 HG SER A 103 98.513 -12.860 -2.693 1.00 0.00 H new ATOM 1641 N ASN A 104 96.048 -12.866 -6.246 1.00 0.00 N ATOM 1642 CA ASN A 104 95.082 -13.799 -6.814 1.00 0.00 C ATOM 1643 C ASN A 104 94.427 -14.639 -5.722 1.00 0.00 C ATOM 1644 O ASN A 104 95.109 -15.198 -4.862 1.00 0.00 O ATOM 1645 CB ASN A 104 95.764 -14.714 -7.834 1.00 0.00 C ATOM 1646 CG ASN A 104 96.579 -13.939 -8.852 1.00 0.00 C ATOM 1647 OD1 ASN A 104 96.747 -12.726 -8.736 1.00 0.00 O ATOM 1648 ND2 ASN A 104 97.088 -14.640 -9.858 1.00 0.00 N ATOM 0 H ASN A 104 96.998 -12.974 -6.600 1.00 0.00 H new ATOM 0 HA ASN A 104 94.307 -13.218 -7.315 1.00 0.00 H new ATOM 0 HB2 ASN A 104 96.413 -15.416 -7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 104 95.008 -15.304 -8.351 1.00 0.00 H new ATOM 0 HD21 ASN A 104 97.644 -14.174 -10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 104 96.923 -15.645 -9.914 1.00 0.00 H new ATOM 1655 N GLY A 105 93.101 -14.720 -5.758 1.00 0.00 N ATOM 1656 CA GLY A 105 92.378 -15.493 -4.765 1.00 0.00 C ATOM 1657 C GLY A 105 92.315 -14.795 -3.421 1.00 0.00 C ATOM 1658 O GLY A 105 91.607 -13.801 -3.262 1.00 0.00 O ATOM 0 H GLY A 105 92.514 -14.264 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 105 91.365 -15.680 -5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 105 92.858 -16.464 -4.645 1.00 0.00 H new ATOM 1662 N VAL A 106 93.058 -15.319 -2.451 1.00 0.00 N ATOM 1663 CA VAL A 106 93.087 -14.742 -1.112 1.00 0.00 C ATOM 1664 C VAL A 106 93.543 -13.286 -1.149 1.00 0.00 C ATOM 1665 O VAL A 106 94.175 -12.848 -2.110 1.00 0.00 O ATOM 1666 CB VAL A 106 94.020 -15.544 -0.182 1.00 0.00 C ATOM 1667 CG1 VAL A 106 95.445 -15.530 -0.712 1.00 0.00 C ATOM 1668 CG2 VAL A 106 93.965 -14.999 1.238 1.00 0.00 C ATOM 0 H VAL A 106 93.648 -16.143 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 106 92.070 -14.786 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 106 93.675 -16.578 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 106 96.088 -16.101 -0.042 1.00 0.00 H new ATOM 0 HG12 VAL A 106 95.468 -15.977 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 106 95.802 -14.502 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 106 94.631 -15.580 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 106 94.280 -13.955 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 106 92.945 -15.071 1.616 1.00 0.00 H new ATOM 1678 N ILE A 107 93.220 -12.540 -0.097 1.00 0.00 N ATOM 1679 CA ILE A 107 93.595 -11.133 -0.012 1.00 0.00 C ATOM 1680 C ILE A 107 93.571 -10.645 1.434 1.00 0.00 C ATOM 1681 O ILE A 107 92.527 -10.661 2.087 1.00 0.00 O ATOM 1682 CB ILE A 107 92.662 -10.250 -0.863 1.00 0.00 C ATOM 1683 CG1 ILE A 107 93.152 -8.801 -0.867 1.00 0.00 C ATOM 1684 CG2 ILE A 107 91.232 -10.333 -0.347 1.00 0.00 C ATOM 1685 CD1 ILE A 107 92.265 -7.861 -1.656 1.00 0.00 C ATOM 0 H ILE A 107 92.699 -12.887 0.709 1.00 0.00 H new ATOM 0 HA ILE A 107 94.610 -11.050 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 107 92.677 -10.619 -1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 107 93.218 -8.446 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 107 94.160 -8.769 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 107 90.587 -9.703 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 107 90.886 -11.365 -0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 107 91.198 -9.990 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 107 92.675 -6.852 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 107 92.218 -8.190 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 107 91.262 -7.863 -1.229 1.00 0.00 H new ATOM 1697 N ILE A 108 94.726 -10.210 1.929 1.00 0.00 N ATOM 1698 CA ILE A 108 94.834 -9.717 3.297 1.00 0.00 C ATOM 1699 C ILE A 108 95.704 -8.466 3.366 1.00 0.00 C ATOM 1700 O ILE A 108 96.605 -8.278 2.548 1.00 0.00 O ATOM 1701 CB ILE A 108 95.424 -10.788 4.237 1.00 0.00 C ATOM 1702 CG1 ILE A 108 94.739 -12.137 4.006 1.00 0.00 C ATOM 1703 CG2 ILE A 108 95.280 -10.356 5.688 1.00 0.00 C ATOM 1704 CD1 ILE A 108 93.266 -12.135 4.356 1.00 0.00 C ATOM 0 H ILE A 108 95.600 -10.189 1.403 1.00 0.00 H new ATOM 0 HA ILE A 108 93.823 -9.473 3.623 1.00 0.00 H new ATOM 0 HB ILE A 108 96.485 -10.899 4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 108 94.855 -12.420 2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 108 95.244 -12.898 4.600 1.00 0.00 H new ATOM 0 HG21 ILE A 108 95.701 -11.122 6.339 1.00 0.00 H new ATOM 0 HG22 ILE A 108 95.811 -9.417 5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 108 94.225 -10.219 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 108 92.846 -13.123 4.167 1.00 0.00 H new ATOM 0 HD12 ILE A 108 93.143 -11.883 5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 108 92.747 -11.397 3.744 1.00 0.00 H new ATOM 1716 N GLY A 109 95.428 -7.614 4.349 1.00 0.00 N ATOM 1717 CA GLY A 109 96.195 -6.392 4.509 1.00 0.00 C ATOM 1718 C GLY A 109 95.783 -5.312 3.526 1.00 0.00 C ATOM 1719 O GLY A 109 95.454 -5.603 2.376 1.00 0.00 O ATOM 0 H GLY A 109 94.687 -7.748 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 109 96.070 -6.020 5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 109 97.254 -6.612 4.378 1.00 0.00 H new ATOM 1723 N ALA A 110 95.801 -4.063 3.980 1.00 0.00 N ATOM 1724 CA ALA A 110 95.429 -2.935 3.134 1.00 0.00 C ATOM 1725 C ALA A 110 96.186 -1.674 3.536 1.00 0.00 C ATOM 1726 O ALA A 110 96.508 -1.479 4.708 1.00 0.00 O ATOM 1727 CB ALA A 110 93.928 -2.698 3.202 1.00 0.00 C ATOM 0 H ALA A 110 96.070 -3.806 4.930 1.00 0.00 H new ATOM 0 HA ALA A 110 95.701 -3.177 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 110 93.664 -1.853 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 110 93.403 -3.589 2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 110 93.640 -2.482 4.231 1.00 0.00 H new ATOM 1733 N ILE A 111 96.465 -0.819 2.557 1.00 0.00 N ATOM 1734 CA ILE A 111 97.184 0.423 2.810 1.00 0.00 C ATOM 1735 C ILE A 111 96.231 1.613 2.853 1.00 0.00 C ATOM 1736 O ILE A 111 95.264 1.675 2.094 1.00 0.00 O ATOM 1737 CB ILE A 111 98.258 0.680 1.733 1.00 0.00 C ATOM 1738 CG1 ILE A 111 99.082 -0.587 1.490 1.00 0.00 C ATOM 1739 CG2 ILE A 111 99.157 1.839 2.141 1.00 0.00 C ATOM 1740 CD1 ILE A 111 98.648 -1.363 0.265 1.00 0.00 C ATOM 0 H ILE A 111 96.204 -0.964 1.582 1.00 0.00 H new ATOM 0 HA ILE A 111 97.669 0.314 3.780 1.00 0.00 H new ATOM 0 HB ILE A 111 97.759 0.949 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 111 100.132 -0.314 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 111 99.007 -1.233 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 111 99.908 2.006 1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 111 98.556 2.740 2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 111 99.651 1.602 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 111 99.275 -2.248 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 111 97.607 -1.667 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 111 98.749 -0.734 -0.619 1.00 0.00 H new ATOM 1752 N SER A 112 96.510 2.557 3.747 1.00 0.00 N ATOM 1753 CA SER A 112 95.678 3.745 3.889 1.00 0.00 C ATOM 1754 C SER A 112 96.305 4.938 3.173 1.00 0.00 C ATOM 1755 O SER A 112 97.514 5.156 3.252 1.00 0.00 O ATOM 1756 CB SER A 112 95.466 4.072 5.370 1.00 0.00 C ATOM 1757 OG SER A 112 94.107 3.910 5.739 1.00 0.00 O ATOM 0 H SER A 112 97.306 2.521 4.384 1.00 0.00 H new ATOM 0 HA SER A 112 94.711 3.539 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 112 96.092 3.423 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 112 95.780 5.097 5.568 1.00 0.00 H new ATOM 0 HG SER A 112 93.998 4.123 6.689 1.00 0.00 H new ATOM 1763 N THR A 113 95.475 5.707 2.476 1.00 0.00 N ATOM 1764 CA THR A 113 95.949 6.878 1.747 1.00 0.00 C ATOM 1765 C THR A 113 95.058 8.086 2.013 1.00 0.00 C ATOM 1766 O THR A 113 93.835 8.004 1.906 1.00 0.00 O ATOM 1767 CB THR A 113 95.997 6.612 0.231 1.00 0.00 C ATOM 1768 OG1 THR A 113 96.728 5.409 -0.034 1.00 0.00 O ATOM 1769 CG2 THR A 113 96.647 7.776 -0.502 1.00 0.00 C ATOM 0 H THR A 113 94.471 5.541 2.401 1.00 0.00 H new ATOM 0 HA THR A 113 96.957 7.088 2.103 1.00 0.00 H new ATOM 0 HB THR A 113 94.974 6.501 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 113 96.752 5.247 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 113 96.670 7.566 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 113 96.073 8.685 -0.323 1.00 0.00 H new ATOM 0 HG23 THR A 113 97.665 7.913 -0.137 1.00 0.00 H new ATOM 1777 N PHE A 114 95.681 9.209 2.359 1.00 0.00 N ATOM 1778 CA PHE A 114 94.943 10.436 2.638 1.00 0.00 C ATOM 1779 C PHE A 114 95.631 11.640 2.004 1.00 0.00 C ATOM 1780 O PHE A 114 96.761 11.979 2.355 1.00 0.00 O ATOM 1781 CB PHE A 114 94.813 10.646 4.148 1.00 0.00 C ATOM 1782 CG PHE A 114 93.696 11.574 4.529 1.00 0.00 C ATOM 1783 CD1 PHE A 114 93.828 12.944 4.365 1.00 0.00 C ATOM 1784 CD2 PHE A 114 92.512 11.078 5.053 1.00 0.00 C ATOM 1785 CE1 PHE A 114 92.801 13.801 4.716 1.00 0.00 C ATOM 1786 CE2 PHE A 114 91.482 11.930 5.404 1.00 0.00 C ATOM 1787 CZ PHE A 114 91.627 13.292 5.236 1.00 0.00 C ATOM 0 H PHE A 114 96.693 9.294 2.453 1.00 0.00 H new ATOM 0 HA PHE A 114 93.948 10.338 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 114 94.653 9.681 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 114 95.752 11.043 4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 114 94.744 13.347 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 114 92.393 10.013 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 114 92.917 14.867 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 114 90.564 11.530 5.809 1.00 0.00 H new ATOM 0 HZ PHE A 114 90.823 13.959 5.511 1.00 0.00 H new ATOM 1797 N ARG A 115 94.940 12.283 1.067 1.00 0.00 N ATOM 1798 CA ARG A 115 95.482 13.450 0.383 1.00 0.00 C ATOM 1799 C ARG A 115 94.366 14.404 -0.030 1.00 0.00 C ATOM 1800 O ARG A 115 93.691 14.188 -1.037 1.00 0.00 O ATOM 1801 CB ARG A 115 96.283 13.019 -0.847 1.00 0.00 C ATOM 1802 CG ARG A 115 96.970 14.173 -1.559 1.00 0.00 C ATOM 1803 CD ARG A 115 98.205 13.705 -2.310 1.00 0.00 C ATOM 1804 NE ARG A 115 97.875 12.753 -3.367 1.00 0.00 N ATOM 1805 CZ ARG A 115 98.696 12.444 -4.369 1.00 0.00 C ATOM 1806 NH1 ARG A 115 99.894 13.008 -4.452 1.00 0.00 N ATOM 1807 NH2 ARG A 115 98.318 11.567 -5.288 1.00 0.00 N ATOM 0 H ARG A 115 94.003 12.015 0.765 1.00 0.00 H new ATOM 0 HA ARG A 115 96.144 13.972 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 115 97.035 12.290 -0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 115 95.616 12.516 -1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 115 96.273 14.639 -2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 115 97.251 14.935 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 115 98.714 14.566 -2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 115 98.901 13.243 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 115 96.963 12.298 -3.336 1.00 0.00 H new ATOM 0 HH11 ARG A 115 100.190 13.682 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 115 100.519 12.768 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 115 97.399 11.129 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 115 98.946 11.330 -6.056 1.00 0.00 H new ATOM 1821 N ASP A 116 94.178 15.461 0.753 1.00 0.00 N ATOM 1822 CA ASP A 116 93.143 16.449 0.469 1.00 0.00 C ATOM 1823 C ASP A 116 93.758 17.810 0.166 1.00 0.00 C ATOM 1824 O ASP A 116 94.484 18.373 0.986 1.00 0.00 O ATOM 1825 CB ASP A 116 92.181 16.561 1.653 1.00 0.00 C ATOM 1826 CG ASP A 116 91.019 15.592 1.546 1.00 0.00 C ATOM 1827 OD1 ASP A 116 90.568 15.331 0.412 1.00 0.00 O ATOM 1828 OD2 ASP A 116 90.562 15.096 2.598 1.00 0.00 O ATOM 0 H ASP A 116 94.729 15.656 1.589 1.00 0.00 H new ATOM 0 HA ASP A 116 92.590 16.119 -0.410 1.00 0.00 H new ATOM 0 HB2 ASP A 116 92.725 16.372 2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 116 91.797 17.580 1.711 1.00 0.00 H new