USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=17 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 57:sc= 1.17 USER MOD Single : A 41 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 45 GLN :FLIP amide:sc= -1.11 F(o=-2.2,f=-1.1) USER MOD Single : A 49 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.25) 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 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -131:sc= 0.409 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=-0.3) 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 K(o=0,f=-0.66) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 18:sc= 0.366! USER MOD Single : A 88 THR OG1 : rot -83:sc= -0.145 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.419 K(o=-0.42,f=-3.3!) USER MOD Single : A 98 THR OG1 : rot 45:sc= 0.407 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.7!) USER MOD Single : A 112 SER OG : rot 180:sc= 0.00781 USER MOD Single : A 113 THR OG1 : rot 84:sc= 0.283 USER MOD ----------------------------------------------------------------- ATOM 384 N LYS A 25 102.344 6.998 -6.063 1.00 0.00 N ATOM 385 CA LYS A 25 103.055 7.406 -4.855 1.00 0.00 C ATOM 386 C LYS A 25 102.190 8.329 -4.002 1.00 0.00 C ATOM 387 O LYS A 25 102.611 9.424 -3.628 1.00 0.00 O ATOM 388 CB LYS A 25 104.366 8.103 -5.222 1.00 0.00 C ATOM 389 CG LYS A 25 105.503 7.805 -4.257 1.00 0.00 C ATOM 390 CD LYS A 25 105.629 8.883 -3.193 1.00 0.00 C ATOM 391 CE LYS A 25 106.857 8.666 -2.323 1.00 0.00 C ATOM 392 NZ LYS A 25 106.520 7.983 -1.044 1.00 0.00 N ATOM 0 HA LYS A 25 103.280 6.512 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.662 7.797 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.199 9.180 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 25 105.333 6.840 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 25 106.439 7.727 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 25 105.688 9.861 -3.670 1.00 0.00 H new ATOM 0 HD3 LYS A 25 104.735 8.886 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 25 107.588 8.071 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 25 107.324 9.627 -2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 107.385 7.854 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 105.842 8.562 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 106.098 7.054 -1.247 1.00 0.00 H new ATOM 406 N GLU A 26 100.977 7.878 -3.696 1.00 0.00 N ATOM 407 CA GLU A 26 100.051 8.662 -2.886 1.00 0.00 C ATOM 408 C GLU A 26 100.120 8.240 -1.422 1.00 0.00 C ATOM 409 O GLU A 26 99.096 8.105 -0.754 1.00 0.00 O ATOM 410 CB GLU A 26 98.623 8.502 -3.411 1.00 0.00 C ATOM 411 CG GLU A 26 97.654 9.538 -2.866 1.00 0.00 C ATOM 412 CD GLU A 26 96.254 9.378 -3.426 1.00 0.00 C ATOM 413 OE1 GLU A 26 96.129 9.075 -4.632 1.00 0.00 O ATOM 414 OE2 GLU A 26 95.284 9.555 -2.660 1.00 0.00 O ATOM 0 H GLU A 26 100.613 6.974 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 26 100.340 9.711 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 26 98.636 8.566 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 26 98.260 7.507 -3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 26 97.618 9.460 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 26 98.024 10.536 -3.102 1.00 0.00 H new ATOM 421 N GLY A 27 101.338 8.034 -0.929 1.00 0.00 N ATOM 422 CA GLY A 27 101.519 7.629 0.453 1.00 0.00 C ATOM 423 C GLY A 27 101.149 6.177 0.685 1.00 0.00 C ATOM 424 O GLY A 27 100.603 5.519 -0.200 1.00 0.00 O ATOM 0 H GLY A 27 102.201 8.140 -1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 27 102.558 7.786 0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 27 100.910 8.263 1.097 1.00 0.00 H new ATOM 428 N VAL A 28 101.448 5.675 1.880 1.00 0.00 N ATOM 429 CA VAL A 28 101.144 4.292 2.226 1.00 0.00 C ATOM 430 C VAL A 28 100.497 4.200 3.604 1.00 0.00 C ATOM 431 O VAL A 28 101.042 4.696 4.590 1.00 0.00 O ATOM 432 CB VAL A 28 102.410 3.415 2.208 1.00 0.00 C ATOM 433 CG1 VAL A 28 102.042 1.943 2.316 1.00 0.00 C ATOM 434 CG2 VAL A 28 103.226 3.675 0.951 1.00 0.00 C ATOM 0 H VAL A 28 101.900 6.206 2.624 1.00 0.00 H new ATOM 0 HA VAL A 28 100.447 3.925 1.473 1.00 0.00 H new ATOM 0 HB VAL A 28 103.022 3.679 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 28 102.949 1.339 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 28 101.505 1.770 3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 28 101.407 1.664 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 28 104.116 3.045 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 28 102.624 3.443 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 28 103.523 4.723 0.921 1.00 0.00 H new ATOM 444 N VAL A 29 99.332 3.564 3.664 1.00 0.00 N ATOM 445 CA VAL A 29 98.610 3.408 4.921 1.00 0.00 C ATOM 446 C VAL A 29 97.790 2.121 4.928 1.00 0.00 C ATOM 447 O VAL A 29 96.747 2.036 4.279 1.00 0.00 O ATOM 448 CB VAL A 29 97.674 4.603 5.185 1.00 0.00 C ATOM 449 CG1 VAL A 29 97.044 4.498 6.565 1.00 0.00 C ATOM 450 CG2 VAL A 29 98.428 5.916 5.035 1.00 0.00 C ATOM 0 H VAL A 29 98.868 3.148 2.857 1.00 0.00 H new ATOM 0 HA VAL A 29 99.359 3.363 5.712 1.00 0.00 H new ATOM 0 HB VAL A 29 96.874 4.582 4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 29 96.387 5.352 6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 29 96.466 3.577 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 29 97.827 4.490 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 29 97.750 6.748 5.225 1.00 0.00 H new ATOM 0 HG22 VAL A 29 99.250 5.947 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 29 98.824 5.995 4.023 1.00 0.00 H new ATOM 460 N ALA A 30 98.269 1.124 5.664 1.00 0.00 N ATOM 461 CA ALA A 30 97.580 -0.157 5.755 1.00 0.00 C ATOM 462 C ALA A 30 96.795 -0.264 7.058 1.00 0.00 C ATOM 463 O ALA A 30 97.254 0.182 8.109 1.00 0.00 O ATOM 464 CB ALA A 30 98.576 -1.302 5.641 1.00 0.00 C ATOM 0 H ALA A 30 99.131 1.179 6.206 1.00 0.00 H new ATOM 0 HA ALA A 30 96.873 -0.222 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 30 98.047 -2.253 5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.091 -1.242 4.682 1.00 0.00 H new ATOM 0 HB3 ALA A 30 99.305 -1.232 6.449 1.00 0.00 H new ATOM 470 N VAL A 31 95.608 -0.860 6.981 1.00 0.00 N ATOM 471 CA VAL A 31 94.759 -1.024 8.154 1.00 0.00 C ATOM 472 C VAL A 31 94.367 -2.484 8.352 1.00 0.00 C ATOM 473 O VAL A 31 94.256 -3.243 7.388 1.00 0.00 O ATOM 474 CB VAL A 31 93.479 -0.172 8.046 1.00 0.00 C ATOM 475 CG1 VAL A 31 93.783 1.289 8.340 1.00 0.00 C ATOM 476 CG2 VAL A 31 92.846 -0.327 6.672 1.00 0.00 C ATOM 0 H VAL A 31 95.214 -1.237 6.119 1.00 0.00 H new ATOM 0 HA VAL A 31 95.341 -0.687 9.012 1.00 0.00 H new ATOM 0 HB VAL A 31 92.766 -0.527 8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 31 92.867 1.875 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 31 94.184 1.381 9.349 1.00 0.00 H new ATOM 0 HG13 VAL A 31 94.515 1.660 7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 31 91.944 0.282 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 31 93.552 -0.002 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.588 -1.373 6.506 1.00 0.00 H new ATOM 486 N ASP A 32 94.159 -2.874 9.606 1.00 0.00 N ATOM 487 CA ASP A 32 93.779 -4.244 9.927 1.00 0.00 C ATOM 488 C ASP A 32 92.309 -4.489 9.605 1.00 0.00 C ATOM 489 O ASP A 32 91.503 -4.763 10.495 1.00 0.00 O ATOM 490 CB ASP A 32 94.052 -4.544 11.403 1.00 0.00 C ATOM 491 CG ASP A 32 93.939 -6.022 11.722 1.00 0.00 C ATOM 492 OD1 ASP A 32 94.741 -6.811 11.181 1.00 0.00 O ATOM 493 OD2 ASP A 32 93.046 -6.391 12.515 1.00 0.00 O ATOM 0 H ASP A 32 94.247 -2.260 10.416 1.00 0.00 H new ATOM 0 HA ASP A 32 94.382 -4.914 9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 32 95.051 -4.194 11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 32 93.348 -3.987 12.021 1.00 0.00 H new ATOM 498 N ASP A 33 91.973 -4.388 8.325 1.00 0.00 N ATOM 499 CA ASP A 33 90.605 -4.596 7.869 1.00 0.00 C ATOM 500 C ASP A 33 89.666 -3.539 8.447 1.00 0.00 C ATOM 501 O ASP A 33 89.278 -2.597 7.756 1.00 0.00 O ATOM 502 CB ASP A 33 90.122 -5.999 8.249 1.00 0.00 C ATOM 503 CG ASP A 33 88.718 -6.281 7.753 1.00 0.00 C ATOM 504 OD1 ASP A 33 88.332 -5.714 6.710 1.00 0.00 O ATOM 505 OD2 ASP A 33 88.003 -7.068 8.410 1.00 0.00 O ATOM 0 H ASP A 33 92.633 -4.162 7.581 1.00 0.00 H new ATOM 0 HA ASP A 33 90.595 -4.502 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 33 90.806 -6.740 7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 33 90.150 -6.109 9.333 1.00 0.00 H new ATOM 510 N ARG A 34 89.305 -3.701 9.717 1.00 0.00 N ATOM 511 CA ARG A 34 88.409 -2.760 10.382 1.00 0.00 C ATOM 512 C ARG A 34 89.101 -1.423 10.627 1.00 0.00 C ATOM 513 O ARG A 34 88.475 -0.366 10.550 1.00 0.00 O ATOM 514 CB ARG A 34 87.915 -3.342 11.710 1.00 0.00 C ATOM 515 CG ARG A 34 89.019 -3.961 12.553 1.00 0.00 C ATOM 516 CD ARG A 34 88.873 -3.597 14.022 1.00 0.00 C ATOM 517 NE ARG A 34 88.131 -4.611 14.767 1.00 0.00 N ATOM 518 CZ ARG A 34 88.550 -5.864 14.937 1.00 0.00 C ATOM 519 NH1 ARG A 34 89.708 -6.260 14.419 1.00 0.00 N ATOM 520 NH2 ARG A 34 87.813 -6.721 15.628 1.00 0.00 N ATOM 0 H ARG A 34 89.618 -4.473 10.305 1.00 0.00 H new ATOM 0 HA ARG A 34 87.555 -2.590 9.726 1.00 0.00 H new ATOM 0 HB2 ARG A 34 87.430 -2.553 12.285 1.00 0.00 H new ATOM 0 HB3 ARG A 34 87.158 -4.099 11.506 1.00 0.00 H new ATOM 0 HG2 ARG A 34 88.997 -5.045 12.442 1.00 0.00 H new ATOM 0 HG3 ARG A 34 89.989 -3.623 12.188 1.00 0.00 H new ATOM 0 HD2 ARG A 34 89.861 -3.473 14.465 1.00 0.00 H new ATOM 0 HD3 ARG A 34 88.363 -2.638 14.109 1.00 0.00 H new ATOM 0 HE ARG A 34 87.238 -4.344 15.182 1.00 0.00 H new ATOM 0 HH11 ARG A 34 90.280 -5.603 13.888 1.00 0.00 H new ATOM 0 HH12 ARG A 34 90.024 -7.221 14.552 1.00 0.00 H new ATOM 0 HH21 ARG A 34 86.925 -6.421 16.030 1.00 0.00 H new ATOM 0 HH22 ARG A 34 88.134 -7.680 15.758 1.00 0.00 H new ATOM 534 N GLY A 35 90.397 -1.476 10.918 1.00 0.00 N ATOM 535 CA GLY A 35 91.150 -0.261 11.170 1.00 0.00 C ATOM 536 C GLY A 35 91.516 -0.094 12.631 1.00 0.00 C ATOM 537 O GLY A 35 90.647 0.124 13.474 1.00 0.00 O ATOM 0 H GLY A 35 90.939 -2.338 10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 35 92.060 -0.271 10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 90.564 0.599 10.846 1.00 0.00 H new ATOM 541 N GLU A 36 92.807 -0.198 12.930 1.00 0.00 N ATOM 542 CA GLU A 36 93.288 -0.056 14.299 1.00 0.00 C ATOM 543 C GLU A 36 93.494 1.414 14.651 1.00 0.00 C ATOM 544 O GLU A 36 93.059 2.304 13.919 1.00 0.00 O ATOM 545 CB GLU A 36 94.598 -0.828 14.484 1.00 0.00 C ATOM 546 CG GLU A 36 94.657 -1.625 15.777 1.00 0.00 C ATOM 547 CD GLU A 36 93.932 -2.953 15.677 1.00 0.00 C ATOM 548 OE1 GLU A 36 94.478 -3.882 15.046 1.00 0.00 O ATOM 549 OE2 GLU A 36 92.818 -3.065 16.232 1.00 0.00 O ATOM 0 H GLU A 36 93.538 -0.380 12.243 1.00 0.00 H new ATOM 0 HA GLU A 36 92.534 -0.469 14.969 1.00 0.00 H new ATOM 0 HB2 GLU A 36 94.732 -1.507 13.642 1.00 0.00 H new ATOM 0 HB3 GLU A 36 95.431 -0.125 14.462 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.699 -1.803 16.042 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.219 -1.036 16.583 1.00 0.00 H new ATOM 556 N VAL A 37 94.159 1.664 15.775 1.00 0.00 N ATOM 557 CA VAL A 37 94.420 3.028 16.220 1.00 0.00 C ATOM 558 C VAL A 37 95.917 3.320 16.252 1.00 0.00 C ATOM 559 O VAL A 37 96.383 4.132 17.051 1.00 0.00 O ATOM 560 CB VAL A 37 93.830 3.285 17.619 1.00 0.00 C ATOM 561 CG1 VAL A 37 92.312 3.361 17.553 1.00 0.00 C ATOM 562 CG2 VAL A 37 94.278 2.207 18.594 1.00 0.00 C ATOM 0 H VAL A 37 94.526 0.941 16.393 1.00 0.00 H new ATOM 0 HA VAL A 37 93.938 3.692 15.502 1.00 0.00 H new ATOM 0 HB VAL A 37 94.202 4.244 17.980 1.00 0.00 H new ATOM 0 HG11 VAL A 37 91.913 3.543 18.551 1.00 0.00 H new ATOM 0 HG12 VAL A 37 92.017 4.175 16.890 1.00 0.00 H new ATOM 0 HG13 VAL A 37 91.917 2.420 17.170 1.00 0.00 H new ATOM 0 HG21 VAL A 37 93.851 2.405 19.577 1.00 0.00 H new ATOM 0 HG22 VAL A 37 93.939 1.233 18.241 1.00 0.00 H new ATOM 0 HG23 VAL A 37 95.366 2.209 18.664 1.00 0.00 H new ATOM 572 N THR A 38 96.664 2.654 15.378 1.00 0.00 N ATOM 573 CA THR A 38 98.107 2.845 15.308 1.00 0.00 C ATOM 574 C THR A 38 98.716 2.031 14.172 1.00 0.00 C ATOM 575 O THR A 38 99.338 0.993 14.400 1.00 0.00 O ATOM 576 CB THR A 38 98.792 2.454 16.631 1.00 0.00 C ATOM 577 OG1 THR A 38 100.213 2.412 16.455 1.00 0.00 O ATOM 578 CG2 THR A 38 98.297 1.100 17.118 1.00 0.00 C ATOM 0 H THR A 38 96.294 1.978 14.709 1.00 0.00 H new ATOM 0 HA THR A 38 98.276 3.906 15.121 1.00 0.00 H new ATOM 0 HB THR A 38 98.541 3.206 17.379 1.00 0.00 H new ATOM 0 HG1 THR A 38 100.528 3.280 16.126 1.00 0.00 H new ATOM 0 HG21 THR A 38 98.795 0.846 18.054 1.00 0.00 H new ATOM 0 HG22 THR A 38 97.220 1.143 17.280 1.00 0.00 H new ATOM 0 HG23 THR A 38 98.521 0.340 16.369 1.00 0.00 H new ATOM 586 N LEU A 39 98.530 2.508 12.945 1.00 0.00 N ATOM 587 CA LEU A 39 99.063 1.826 11.771 1.00 0.00 C ATOM 588 C LEU A 39 99.386 2.825 10.665 1.00 0.00 C ATOM 589 O LEU A 39 98.499 3.268 9.935 1.00 0.00 O ATOM 590 CB LEU A 39 98.063 0.783 11.262 1.00 0.00 C ATOM 591 CG LEU A 39 98.424 -0.669 11.581 1.00 0.00 C ATOM 592 CD1 LEU A 39 97.299 -1.602 11.164 1.00 0.00 C ATOM 593 CD2 LEU A 39 99.724 -1.056 10.893 1.00 0.00 C ATOM 0 H LEU A 39 98.015 3.364 12.738 1.00 0.00 H new ATOM 0 HA LEU A 39 99.985 1.321 12.060 1.00 0.00 H new ATOM 0 HB2 LEU A 39 97.085 1.001 11.690 1.00 0.00 H new ATOM 0 HB3 LEU A 39 97.969 0.889 10.181 1.00 0.00 H new ATOM 0 HG LEU A 39 98.564 -0.762 12.658 1.00 0.00 H new ATOM 0 HD11 LEU A 39 97.573 -2.630 11.399 1.00 0.00 H new ATOM 0 HD12 LEU A 39 96.389 -1.338 11.702 1.00 0.00 H new ATOM 0 HD13 LEU A 39 97.127 -1.508 10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 39 99.967 -2.092 11.130 1.00 0.00 H new ATOM 0 HD22 LEU A 39 99.611 -0.947 9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 39 100.527 -0.406 11.241 1.00 0.00 H new ATOM 605 N ILE A 40 100.663 3.175 10.548 1.00 0.00 N ATOM 606 CA ILE A 40 101.107 4.120 9.530 1.00 0.00 C ATOM 607 C ILE A 40 102.541 3.828 9.099 1.00 0.00 C ATOM 608 O ILE A 40 103.369 3.408 9.907 1.00 0.00 O ATOM 609 CB ILE A 40 101.014 5.575 10.037 1.00 0.00 C ATOM 610 CG1 ILE A 40 101.386 6.553 8.920 1.00 0.00 C ATOM 611 CG2 ILE A 40 101.914 5.776 11.248 1.00 0.00 C ATOM 612 CD1 ILE A 40 101.175 8.004 9.292 1.00 0.00 C ATOM 0 H ILE A 40 101.408 2.818 11.146 1.00 0.00 H new ATOM 0 HA ILE A 40 100.444 4.001 8.673 1.00 0.00 H new ATOM 0 HB ILE A 40 99.985 5.772 10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 40 102.432 6.404 8.651 1.00 0.00 H new ATOM 0 HG13 ILE A 40 100.793 6.323 8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 40 101.836 6.807 11.592 1.00 0.00 H new ATOM 0 HG22 ILE A 40 101.605 5.102 12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 40 102.947 5.562 10.973 1.00 0.00 H new ATOM 0 HD11 ILE A 40 101.459 8.640 8.453 1.00 0.00 H new ATOM 0 HD12 ILE A 40 100.125 8.169 9.533 1.00 0.00 H new ATOM 0 HD13 ILE A 40 101.789 8.250 10.158 1.00 0.00 H new ATOM 624 N ASN A 41 102.827 4.055 7.822 1.00 0.00 N ATOM 625 CA ASN A 41 104.162 3.817 7.286 1.00 0.00 C ATOM 626 C ASN A 41 105.147 4.862 7.802 1.00 0.00 C ATOM 627 O ASN A 41 104.785 6.019 8.015 1.00 0.00 O ATOM 628 CB ASN A 41 104.130 3.837 5.755 1.00 0.00 C ATOM 629 CG ASN A 41 104.369 2.465 5.156 1.00 0.00 C ATOM 630 OD1 ASN A 41 103.619 1.523 5.413 1.00 0.00 O ATOM 631 ND2 ASN A 41 105.418 2.345 4.351 1.00 0.00 N ATOM 0 H ASN A 41 102.154 4.403 7.140 1.00 0.00 H new ATOM 0 HA ASN A 41 104.494 2.834 7.621 1.00 0.00 H new ATOM 0 HB2 ASN A 41 103.164 4.214 5.419 1.00 0.00 H new ATOM 0 HB3 ASN A 41 104.888 4.529 5.387 1.00 0.00 H new ATOM 0 HD21 ASN A 41 105.628 1.446 3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 41 106.013 3.152 4.165 1.00 0.00 H new ATOM 638 N ASP A 42 106.393 4.447 8.003 1.00 0.00 N ATOM 639 CA ASP A 42 107.429 5.348 8.494 1.00 0.00 C ATOM 640 C ASP A 42 107.609 6.532 7.550 1.00 0.00 C ATOM 641 O ASP A 42 107.902 7.647 7.983 1.00 0.00 O ATOM 642 CB ASP A 42 108.753 4.601 8.653 1.00 0.00 C ATOM 643 CG ASP A 42 108.902 3.972 10.024 1.00 0.00 C ATOM 644 OD1 ASP A 42 108.477 2.810 10.194 1.00 0.00 O ATOM 645 OD2 ASP A 42 109.444 4.642 10.929 1.00 0.00 O ATOM 0 H ASP A 42 106.710 3.492 7.833 1.00 0.00 H new ATOM 0 HA ASP A 42 107.116 5.725 9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 42 108.823 3.825 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 42 109.579 5.291 8.481 1.00 0.00 H new ATOM 650 N ALA A 43 107.431 6.282 6.256 1.00 0.00 N ATOM 651 CA ALA A 43 107.571 7.328 5.252 1.00 0.00 C ATOM 652 C ALA A 43 106.361 8.255 5.257 1.00 0.00 C ATOM 653 O ALA A 43 106.480 9.451 4.989 1.00 0.00 O ATOM 654 CB ALA A 43 107.761 6.714 3.873 1.00 0.00 C ATOM 0 H ALA A 43 107.190 5.365 5.880 1.00 0.00 H new ATOM 0 HA ALA A 43 108.453 7.920 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 43 107.864 7.507 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 43 108.659 6.096 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 43 106.896 6.098 3.627 1.00 0.00 H new ATOM 660 N ALA A 44 105.195 7.695 5.563 1.00 0.00 N ATOM 661 CA ALA A 44 103.962 8.472 5.606 1.00 0.00 C ATOM 662 C ALA A 44 103.960 9.432 6.791 1.00 0.00 C ATOM 663 O ALA A 44 103.487 10.563 6.685 1.00 0.00 O ATOM 664 CB ALA A 44 102.757 7.545 5.672 1.00 0.00 C ATOM 0 H ALA A 44 105.078 6.706 5.785 1.00 0.00 H new ATOM 0 HA ALA A 44 103.901 9.064 4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 44 101.843 8.138 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 44 102.743 6.903 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 44 102.821 6.929 6.569 1.00 0.00 H new ATOM 670 N GLN A 45 104.491 8.972 7.918 1.00 0.00 N ATOM 671 CA GLN A 45 104.553 9.790 9.124 1.00 0.00 C ATOM 672 C GLN A 45 105.370 11.054 8.879 1.00 0.00 C ATOM 673 O GLN A 45 105.098 12.105 9.459 1.00 0.00 O ATOM 674 CB GLN A 45 105.159 8.991 10.278 1.00 0.00 C ATOM 675 CG GLN A 45 104.251 7.889 10.797 1.00 0.00 C ATOM 676 CD GLN A 45 104.965 6.941 11.741 1.00 0.00 C ATOM 677 OE1 GLN A 45 105.422 5.812 11.212 1.00 0.00 O flip ATOM 678 NE2 GLN A 45 105.107 7.221 12.932 1.00 0.00 N flip ATOM 0 H GLN A 45 104.885 8.037 8.022 1.00 0.00 H new ATOM 0 HA GLN A 45 103.537 10.081 9.390 1.00 0.00 H new ATOM 0 HB2 GLN A 45 106.100 8.550 9.949 1.00 0.00 H new ATOM 0 HB3 GLN A 45 105.395 9.672 11.096 1.00 0.00 H new ATOM 0 HG2 GLN A 45 103.401 8.336 11.312 1.00 0.00 H new ATOM 0 HG3 GLN A 45 103.852 7.325 9.954 1.00 0.00 H new ATOM 0 HE21 GLN A 45 104.740 8.100 13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 45 105.592 6.574 13.554 1.00 0.00 H new ATOM 687 N GLU A 46 106.375 10.944 8.015 1.00 0.00 N ATOM 688 CA GLU A 46 107.232 12.078 7.690 1.00 0.00 C ATOM 689 C GLU A 46 106.469 13.122 6.882 1.00 0.00 C ATOM 690 O GLU A 46 106.763 14.315 6.957 1.00 0.00 O ATOM 691 CB GLU A 46 108.460 11.608 6.908 1.00 0.00 C ATOM 692 CG GLU A 46 109.566 11.051 7.789 1.00 0.00 C ATOM 693 CD GLU A 46 110.883 10.907 7.051 1.00 0.00 C ATOM 694 OE1 GLU A 46 110.979 10.022 6.175 1.00 0.00 O ATOM 695 OE2 GLU A 46 111.818 11.680 7.349 1.00 0.00 O ATOM 0 H GLU A 46 106.615 10.081 7.528 1.00 0.00 H new ATOM 0 HA GLU A 46 107.558 12.535 8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 46 108.155 10.842 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 46 108.854 12.444 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 46 109.705 11.706 8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 46 109.262 10.078 8.176 1.00 0.00 H new ATOM 702 N LEU A 47 105.487 12.665 6.111 1.00 0.00 N ATOM 703 CA LEU A 47 104.679 13.561 5.291 1.00 0.00 C ATOM 704 C LEU A 47 103.995 14.618 6.154 1.00 0.00 C ATOM 705 O LEU A 47 103.766 15.743 5.710 1.00 0.00 O ATOM 706 CB LEU A 47 103.631 12.766 4.510 1.00 0.00 C ATOM 707 CG LEU A 47 103.038 13.489 3.299 1.00 0.00 C ATOM 708 CD1 LEU A 47 104.127 13.834 2.297 1.00 0.00 C ATOM 709 CD2 LEU A 47 101.961 12.636 2.647 1.00 0.00 C ATOM 0 H LEU A 47 105.232 11.680 6.037 1.00 0.00 H new ATOM 0 HA LEU A 47 105.341 14.065 4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 47 104.083 11.833 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 47 102.820 12.500 5.188 1.00 0.00 H new ATOM 0 HG LEU A 47 102.582 14.418 3.641 1.00 0.00 H new ATOM 0 HD11 LEU A 47 103.686 14.348 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 47 104.864 14.483 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 47 104.613 12.919 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 47 101.549 13.164 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 47 102.394 11.691 2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 47 101.166 12.440 3.367 1.00 0.00 H new ATOM 721 N LEU A 48 103.671 14.245 7.388 1.00 0.00 N ATOM 722 CA LEU A 48 103.014 15.160 8.314 1.00 0.00 C ATOM 723 C LEU A 48 104.018 16.151 8.898 1.00 0.00 C ATOM 724 O LEU A 48 103.736 17.344 9.008 1.00 0.00 O ATOM 725 CB LEU A 48 102.332 14.377 9.440 1.00 0.00 C ATOM 726 CG LEU A 48 100.804 14.367 9.385 1.00 0.00 C ATOM 727 CD1 LEU A 48 100.315 13.387 8.329 1.00 0.00 C ATOM 728 CD2 LEU A 48 100.224 14.018 10.747 1.00 0.00 C ATOM 0 H LEU A 48 103.853 13.317 7.769 1.00 0.00 H new ATOM 0 HA LEU A 48 102.257 15.719 7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 48 102.688 13.347 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 48 102.644 14.798 10.396 1.00 0.00 H new ATOM 0 HG LEU A 48 100.463 15.365 9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 48 99.225 13.393 8.304 1.00 0.00 H new ATOM 0 HD12 LEU A 48 100.702 13.680 7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 100.667 12.384 8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 48 99.136 14.016 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 48 100.574 13.031 11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 48 100.547 14.757 11.480 1.00 0.00 H new ATOM 740 N ASN A 49 105.191 15.647 9.270 1.00 0.00 N ATOM 741 CA ASN A 49 106.237 16.487 9.842 1.00 0.00 C ATOM 742 C ASN A 49 105.747 17.181 11.108 1.00 0.00 C ATOM 743 O ASN A 49 106.078 18.340 11.361 1.00 0.00 O ATOM 744 CB ASN A 49 106.698 17.529 8.820 1.00 0.00 C ATOM 745 CG ASN A 49 108.057 18.109 9.158 1.00 0.00 C ATOM 746 OD1 ASN A 49 109.092 17.525 8.836 1.00 0.00 O ATOM 747 ND2 ASN A 49 108.060 19.265 9.811 1.00 0.00 N ATOM 0 H ASN A 49 105.440 14.662 9.185 1.00 0.00 H new ATOM 0 HA ASN A 49 107.080 15.847 10.104 1.00 0.00 H new ATOM 0 HB2 ASN A 49 106.737 17.072 7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 49 105.965 18.334 8.770 1.00 0.00 H new ATOM 0 HD21 ASN A 49 108.944 19.704 10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 49 107.178 19.714 10.058 1.00 0.00 H new ATOM 754 N TYR A 50 104.955 16.466 11.901 1.00 0.00 N ATOM 755 CA TYR A 50 104.418 17.013 13.141 1.00 0.00 C ATOM 756 C TYR A 50 104.804 16.142 14.332 1.00 0.00 C ATOM 757 O TYR A 50 105.607 16.547 15.173 1.00 0.00 O ATOM 758 CB TYR A 50 102.896 17.131 13.054 1.00 0.00 C ATOM 759 CG TYR A 50 102.425 18.418 12.416 1.00 0.00 C ATOM 760 CD1 TYR A 50 102.625 19.641 13.045 1.00 0.00 C ATOM 761 CD2 TYR A 50 101.780 18.411 11.185 1.00 0.00 C ATOM 762 CE1 TYR A 50 102.196 20.820 12.466 1.00 0.00 C ATOM 763 CE2 TYR A 50 101.349 19.587 10.599 1.00 0.00 C ATOM 764 CZ TYR A 50 101.560 20.788 11.243 1.00 0.00 C ATOM 765 OH TYR A 50 101.131 21.960 10.664 1.00 0.00 O ATOM 0 H TYR A 50 104.671 15.506 11.706 1.00 0.00 H new ATOM 0 HA TYR A 50 104.845 18.005 13.286 1.00 0.00 H new ATOM 0 HB2 TYR A 50 102.507 16.288 12.483 1.00 0.00 H new ATOM 0 HB3 TYR A 50 102.476 17.057 14.057 1.00 0.00 H new ATOM 0 HD1 TYR A 50 103.124 19.670 14.002 1.00 0.00 H new ATOM 0 HD2 TYR A 50 101.613 17.472 10.678 1.00 0.00 H new ATOM 0 HE1 TYR A 50 102.358 21.762 12.969 1.00 0.00 H new ATOM 0 HE2 TYR A 50 100.850 19.565 9.642 1.00 0.00 H new ATOM 0 HH TYR A 50 100.704 21.763 9.804 1.00 0.00 H new ATOM 775 N ARG A 51 104.229 14.947 14.398 1.00 0.00 N ATOM 776 CA ARG A 51 104.516 14.020 15.488 1.00 0.00 C ATOM 777 C ARG A 51 103.989 12.625 15.171 1.00 0.00 C ATOM 778 O ARG A 51 103.187 12.446 14.255 1.00 0.00 O ATOM 779 CB ARG A 51 103.897 14.529 16.791 1.00 0.00 C ATOM 780 CG ARG A 51 102.420 14.866 16.672 1.00 0.00 C ATOM 781 CD ARG A 51 101.965 15.784 17.794 1.00 0.00 C ATOM 782 NE ARG A 51 102.630 17.085 17.742 1.00 0.00 N ATOM 783 CZ ARG A 51 102.686 17.930 18.768 1.00 0.00 C ATOM 784 NH1 ARG A 51 102.117 17.617 19.926 1.00 0.00 N ATOM 785 NH2 ARG A 51 103.310 19.092 18.637 1.00 0.00 N ATOM 0 H ARG A 51 103.562 14.597 13.711 1.00 0.00 H new ATOM 0 HA ARG A 51 105.598 13.960 15.606 1.00 0.00 H new ATOM 0 HB2 ARG A 51 104.027 13.773 17.565 1.00 0.00 H new ATOM 0 HB3 ARG A 51 104.438 15.417 17.118 1.00 0.00 H new ATOM 0 HG2 ARG A 51 102.231 15.344 15.711 1.00 0.00 H new ATOM 0 HG3 ARG A 51 101.834 13.947 16.692 1.00 0.00 H new ATOM 0 HD2 ARG A 51 100.886 15.926 17.731 1.00 0.00 H new ATOM 0 HD3 ARG A 51 102.169 15.311 18.755 1.00 0.00 H new ATOM 0 HE ARG A 51 103.077 17.361 16.868 1.00 0.00 H new ATOM 0 HH11 ARG A 51 101.634 16.725 20.032 1.00 0.00 H new ATOM 0 HH12 ARG A 51 102.163 18.269 20.709 1.00 0.00 H new ATOM 0 HH21 ARG A 51 103.748 19.339 17.749 1.00 0.00 H new ATOM 0 HH22 ARG A 51 103.353 19.740 19.424 1.00 0.00 H new ATOM 799 N LYS A 52 104.446 11.638 15.937 1.00 0.00 N ATOM 800 CA LYS A 52 104.020 10.258 15.738 1.00 0.00 C ATOM 801 C LYS A 52 103.013 9.841 16.806 1.00 0.00 C ATOM 802 O LYS A 52 102.942 8.671 17.183 1.00 0.00 O ATOM 803 CB LYS A 52 105.229 9.320 15.768 1.00 0.00 C ATOM 804 CG LYS A 52 106.124 9.522 16.980 1.00 0.00 C ATOM 805 CD LYS A 52 106.682 8.201 17.487 1.00 0.00 C ATOM 806 CE LYS A 52 107.757 7.658 16.559 1.00 0.00 C ATOM 807 NZ LYS A 52 108.895 7.066 17.315 1.00 0.00 N ATOM 0 H LYS A 52 105.110 11.769 16.700 1.00 0.00 H new ATOM 0 HA LYS A 52 103.539 10.189 14.762 1.00 0.00 H new ATOM 0 HB2 LYS A 52 104.878 8.288 15.753 1.00 0.00 H new ATOM 0 HB3 LYS A 52 105.817 9.470 14.863 1.00 0.00 H new ATOM 0 HG2 LYS A 52 106.946 10.189 16.720 1.00 0.00 H new ATOM 0 HG3 LYS A 52 105.558 10.008 17.775 1.00 0.00 H new ATOM 0 HD2 LYS A 52 107.097 8.339 18.485 1.00 0.00 H new ATOM 0 HD3 LYS A 52 105.875 7.474 17.576 1.00 0.00 H new ATOM 0 HE2 LYS A 52 107.324 6.902 15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 52 108.124 8.461 15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 109.606 6.707 16.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 109.325 7.794 17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 108.549 6.283 17.906 1.00 0.00 H new ATOM 821 N SER A 53 102.235 10.805 17.287 1.00 0.00 N ATOM 822 CA SER A 53 101.232 10.538 18.311 1.00 0.00 C ATOM 823 C SER A 53 99.823 10.660 17.738 1.00 0.00 C ATOM 824 O SER A 53 98.973 9.799 17.965 1.00 0.00 O ATOM 825 CB SER A 53 101.400 11.503 19.486 1.00 0.00 C ATOM 826 OG SER A 53 102.760 11.602 19.874 1.00 0.00 O ATOM 0 H SER A 53 102.280 11.778 16.984 1.00 0.00 H new ATOM 0 HA SER A 53 101.375 9.517 18.665 1.00 0.00 H new ATOM 0 HB2 SER A 53 101.025 12.488 19.208 1.00 0.00 H new ATOM 0 HB3 SER A 53 100.802 11.161 20.330 1.00 0.00 H new ATOM 0 HG SER A 53 102.841 12.226 20.625 1.00 0.00 H new ATOM 832 N GLN A 54 99.585 11.734 16.993 1.00 0.00 N ATOM 833 CA GLN A 54 98.281 11.971 16.386 1.00 0.00 C ATOM 834 C GLN A 54 98.094 11.107 15.144 1.00 0.00 C ATOM 835 O GLN A 54 96.980 10.694 14.823 1.00 0.00 O ATOM 836 CB GLN A 54 98.124 13.449 16.022 1.00 0.00 C ATOM 837 CG GLN A 54 96.706 13.833 15.633 1.00 0.00 C ATOM 838 CD GLN A 54 96.616 14.383 14.223 1.00 0.00 C ATOM 839 OE1 GLN A 54 96.507 13.629 13.256 1.00 0.00 O ATOM 840 NE2 GLN A 54 96.660 15.705 14.098 1.00 0.00 N ATOM 0 H GLN A 54 100.279 12.455 16.795 1.00 0.00 H new ATOM 0 HA GLN A 54 97.516 11.701 17.113 1.00 0.00 H new ATOM 0 HB2 GLN A 54 98.437 14.058 16.870 1.00 0.00 H new ATOM 0 HB3 GLN A 54 98.795 13.684 15.196 1.00 0.00 H new ATOM 0 HG2 GLN A 54 96.060 12.959 15.720 1.00 0.00 H new ATOM 0 HG3 GLN A 54 96.330 14.578 16.334 1.00 0.00 H new ATOM 0 HE21 GLN A 54 96.751 16.293 14.927 1.00 0.00 H new ATOM 0 HE22 GLN A 54 96.603 16.132 13.173 1.00 0.00 H new ATOM 849 N ASP A 55 99.193 10.839 14.446 1.00 0.00 N ATOM 850 CA ASP A 55 99.152 10.023 13.238 1.00 0.00 C ATOM 851 C ASP A 55 98.627 8.624 13.545 1.00 0.00 C ATOM 852 O ASP A 55 97.743 8.116 12.854 1.00 0.00 O ATOM 853 CB ASP A 55 100.544 9.930 12.611 1.00 0.00 C ATOM 854 CG ASP A 55 101.118 11.293 12.274 1.00 0.00 C ATOM 855 OD1 ASP A 55 100.739 12.278 12.940 1.00 0.00 O ATOM 856 OD2 ASP A 55 101.946 11.374 11.342 1.00 0.00 O ATOM 0 H ASP A 55 100.123 11.175 14.696 1.00 0.00 H new ATOM 0 HA ASP A 55 98.474 10.501 12.531 1.00 0.00 H new ATOM 0 HB2 ASP A 55 101.216 9.416 13.298 1.00 0.00 H new ATOM 0 HB3 ASP A 55 100.492 9.326 11.705 1.00 0.00 H new ATOM 861 N ASP A 56 99.177 8.007 14.586 1.00 0.00 N ATOM 862 CA ASP A 56 98.763 6.668 14.985 1.00 0.00 C ATOM 863 C ASP A 56 97.486 6.718 15.817 1.00 0.00 C ATOM 864 O ASP A 56 97.535 6.752 17.046 1.00 0.00 O ATOM 865 CB ASP A 56 99.877 5.983 15.779 1.00 0.00 C ATOM 866 CG ASP A 56 100.957 5.410 14.884 1.00 0.00 C ATOM 867 OD1 ASP A 56 101.673 6.203 14.235 1.00 0.00 O ATOM 868 OD2 ASP A 56 101.088 4.170 14.830 1.00 0.00 O ATOM 0 H ASP A 56 99.910 8.413 15.168 1.00 0.00 H new ATOM 0 HA ASP A 56 98.563 6.092 14.081 1.00 0.00 H new ATOM 0 HB2 ASP A 56 100.323 6.701 16.467 1.00 0.00 H new ATOM 0 HB3 ASP A 56 99.449 5.184 16.385 1.00 0.00 H new ATOM 873 N GLU A 57 96.343 6.724 15.138 1.00 0.00 N ATOM 874 CA GLU A 57 95.053 6.772 15.815 1.00 0.00 C ATOM 875 C GLU A 57 93.936 6.290 14.894 1.00 0.00 C ATOM 876 O GLU A 57 94.188 5.870 13.765 1.00 0.00 O ATOM 877 CB GLU A 57 94.759 8.195 16.295 1.00 0.00 C ATOM 878 CG GLU A 57 95.429 8.540 17.614 1.00 0.00 C ATOM 879 CD GLU A 57 94.852 9.789 18.253 1.00 0.00 C ATOM 880 OE1 GLU A 57 93.689 9.741 18.705 1.00 0.00 O ATOM 881 OE2 GLU A 57 95.563 10.814 18.301 1.00 0.00 O ATOM 0 H GLU A 57 96.285 6.696 14.120 1.00 0.00 H new ATOM 0 HA GLU A 57 95.098 6.107 16.678 1.00 0.00 H new ATOM 0 HB2 GLU A 57 95.088 8.902 15.534 1.00 0.00 H new ATOM 0 HB3 GLU A 57 93.681 8.319 16.401 1.00 0.00 H new ATOM 0 HG2 GLU A 57 95.321 7.702 18.302 1.00 0.00 H new ATOM 0 HG3 GLU A 57 96.497 8.681 17.449 1.00 0.00 H new ATOM 888 N LYS A 58 92.701 6.354 15.384 1.00 0.00 N ATOM 889 CA LYS A 58 91.544 5.923 14.606 1.00 0.00 C ATOM 890 C LYS A 58 91.500 6.626 13.252 1.00 0.00 C ATOM 891 O LYS A 58 91.547 7.854 13.176 1.00 0.00 O ATOM 892 CB LYS A 58 90.252 6.201 15.378 1.00 0.00 C ATOM 893 CG LYS A 58 90.059 7.666 15.733 1.00 0.00 C ATOM 894 CD LYS A 58 89.251 7.828 17.010 1.00 0.00 C ATOM 895 CE LYS A 58 90.151 8.049 18.214 1.00 0.00 C ATOM 896 NZ LYS A 58 90.651 9.450 18.285 1.00 0.00 N ATOM 0 H LYS A 58 92.476 6.700 16.317 1.00 0.00 H new ATOM 0 HA LYS A 58 91.636 4.851 14.434 1.00 0.00 H new ATOM 0 HB2 LYS A 58 89.403 5.865 14.782 1.00 0.00 H new ATOM 0 HB3 LYS A 58 90.252 5.611 16.294 1.00 0.00 H new ATOM 0 HG2 LYS A 58 91.031 8.143 15.854 1.00 0.00 H new ATOM 0 HG3 LYS A 58 89.553 8.176 14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 58 88.568 8.671 16.905 1.00 0.00 H new ATOM 0 HD3 LYS A 58 88.639 6.940 17.170 1.00 0.00 H new ATOM 0 HE2 LYS A 58 89.602 7.813 19.126 1.00 0.00 H new ATOM 0 HE3 LYS A 58 90.997 7.364 18.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 91.680 9.444 18.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 90.432 9.942 17.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 90.190 9.943 19.076 1.00 0.00 H new ATOM 910 N LEU A 59 91.410 5.839 12.186 1.00 0.00 N ATOM 911 CA LEU A 59 91.360 6.385 10.835 1.00 0.00 C ATOM 912 C LEU A 59 90.426 5.565 9.949 1.00 0.00 C ATOM 913 O LEU A 59 90.792 5.166 8.843 1.00 0.00 O ATOM 914 CB LEU A 59 92.764 6.418 10.225 1.00 0.00 C ATOM 915 CG LEU A 59 93.735 7.397 10.889 1.00 0.00 C ATOM 916 CD1 LEU A 59 95.147 6.831 10.885 1.00 0.00 C ATOM 917 CD2 LEU A 59 93.697 8.745 10.184 1.00 0.00 C ATOM 0 H LEU A 59 91.370 4.821 12.231 1.00 0.00 H new ATOM 0 HA LEU A 59 90.972 7.402 10.895 1.00 0.00 H new ATOM 0 HB2 LEU A 59 93.190 5.416 10.277 1.00 0.00 H new ATOM 0 HB3 LEU A 59 92.679 6.674 9.169 1.00 0.00 H new ATOM 0 HG LEU A 59 93.426 7.542 11.924 1.00 0.00 H new ATOM 0 HD11 LEU A 59 95.825 7.540 11.361 1.00 0.00 H new ATOM 0 HD12 LEU A 59 95.163 5.889 11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 59 95.467 6.658 9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 59 94.393 9.429 10.669 1.00 0.00 H new ATOM 0 HD22 LEU A 59 93.982 8.618 9.140 1.00 0.00 H new ATOM 0 HD23 LEU A 59 92.689 9.155 10.238 1.00 0.00 H new ATOM 929 N SER A 60 89.218 5.318 10.444 1.00 0.00 N ATOM 930 CA SER A 60 88.232 4.545 9.697 1.00 0.00 C ATOM 931 C SER A 60 86.900 5.286 9.631 1.00 0.00 C ATOM 932 O SER A 60 86.438 5.844 10.626 1.00 0.00 O ATOM 933 CB SER A 60 88.034 3.173 10.341 1.00 0.00 C ATOM 934 OG SER A 60 88.196 3.240 11.747 1.00 0.00 O ATOM 0 H SER A 60 88.898 5.641 11.357 1.00 0.00 H new ATOM 0 HA SER A 60 88.605 4.410 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 60 87.039 2.797 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 60 88.750 2.465 9.923 1.00 0.00 H new ATOM 0 HG SER A 60 88.063 2.350 12.134 1.00 0.00 H new ATOM 940 N THR A 61 86.286 5.285 8.451 1.00 0.00 N ATOM 941 CA THR A 61 85.007 5.957 8.256 1.00 0.00 C ATOM 942 C THR A 61 85.131 7.456 8.505 1.00 0.00 C ATOM 943 O THR A 61 86.018 7.905 9.230 1.00 0.00 O ATOM 944 CB THR A 61 83.923 5.379 9.186 1.00 0.00 C ATOM 945 OG1 THR A 61 84.256 4.034 9.551 1.00 0.00 O ATOM 946 CG2 THR A 61 82.560 5.402 8.509 1.00 0.00 C ATOM 0 H THR A 61 86.654 4.827 7.617 1.00 0.00 H new ATOM 0 HA THR A 61 84.714 5.788 7.220 1.00 0.00 H new ATOM 0 HB THR A 61 83.877 5.998 10.082 1.00 0.00 H new ATOM 0 HG1 THR A 61 83.563 3.675 10.143 1.00 0.00 H new ATOM 0 HG21 THR A 61 81.811 4.989 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 61 82.296 6.429 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 61 82.596 4.804 7.598 1.00 0.00 H new ATOM 954 N LEU A 62 84.233 8.227 7.899 1.00 0.00 N ATOM 955 CA LEU A 62 84.243 9.677 8.055 1.00 0.00 C ATOM 956 C LEU A 62 83.655 10.085 9.402 1.00 0.00 C ATOM 957 O LEU A 62 84.251 10.870 10.139 1.00 0.00 O ATOM 958 CB LEU A 62 83.458 10.337 6.920 1.00 0.00 C ATOM 959 CG LEU A 62 84.090 10.206 5.533 1.00 0.00 C ATOM 960 CD1 LEU A 62 83.239 10.910 4.488 1.00 0.00 C ATOM 961 CD2 LEU A 62 85.504 10.767 5.538 1.00 0.00 C ATOM 0 H LEU A 62 83.490 7.872 7.296 1.00 0.00 H new ATOM 0 HA LEU A 62 85.279 10.015 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 62 82.459 9.903 6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 62 83.338 11.396 7.149 1.00 0.00 H new ATOM 0 HG LEU A 62 84.140 9.148 5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 62 83.705 10.805 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 62 82.245 10.463 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 62 83.155 11.967 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 62 85.939 10.666 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 62 85.477 11.820 5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 62 86.111 10.217 6.257 1.00 0.00 H new ATOM 973 N SER A 63 82.480 9.547 9.717 1.00 0.00 N ATOM 974 CA SER A 63 81.813 9.856 10.976 1.00 0.00 C ATOM 975 C SER A 63 80.754 8.808 11.303 1.00 0.00 C ATOM 976 O SER A 63 80.177 8.193 10.406 1.00 0.00 O ATOM 977 CB SER A 63 81.170 11.242 10.911 1.00 0.00 C ATOM 978 OG SER A 63 81.162 11.862 12.186 1.00 0.00 O ATOM 0 H SER A 63 81.972 8.896 9.118 1.00 0.00 H new ATOM 0 HA SER A 63 82.564 9.848 11.766 1.00 0.00 H new ATOM 0 HB2 SER A 63 81.715 11.866 10.203 1.00 0.00 H new ATOM 0 HB3 SER A 63 80.149 11.155 10.539 1.00 0.00 H new ATOM 0 HG SER A 63 80.747 12.747 12.117 1.00 0.00 H new ATOM 984 N HIS A 64 80.503 8.610 12.593 1.00 0.00 N ATOM 985 CA HIS A 64 79.513 7.635 13.038 1.00 0.00 C ATOM 986 C HIS A 64 78.116 8.027 12.568 1.00 0.00 C ATOM 987 O HIS A 64 77.770 9.207 12.532 1.00 0.00 O ATOM 988 CB HIS A 64 79.535 7.515 14.563 1.00 0.00 C ATOM 989 CG HIS A 64 80.891 7.212 15.120 1.00 0.00 C ATOM 990 ND1 HIS A 64 81.764 8.191 15.549 1.00 0.00 N ATOM 991 CD2 HIS A 64 81.524 6.033 15.321 1.00 0.00 C ATOM 992 CE1 HIS A 64 82.876 7.626 15.988 1.00 0.00 C ATOM 993 NE2 HIS A 64 82.755 6.317 15.861 1.00 0.00 N ATOM 0 H HIS A 64 80.971 9.111 13.348 1.00 0.00 H new ATOM 0 HA HIS A 64 79.767 6.670 12.601 1.00 0.00 H new ATOM 0 HB2 HIS A 64 79.172 8.446 14.998 1.00 0.00 H new ATOM 0 HB3 HIS A 64 78.842 6.730 14.868 1.00 0.00 H new ATOM 0 HD2 HIS A 64 81.134 5.051 15.098 1.00 0.00 H new ATOM 0 HE1 HIS A 64 83.736 8.146 16.383 1.00 0.00 H new ATOM 0 HE2 HIS A 64 83.461 5.628 16.122 1.00 0.00 H new ATOM 1001 N SER A 65 77.316 7.027 12.210 1.00 0.00 N ATOM 1002 CA SER A 65 75.957 7.267 11.742 1.00 0.00 C ATOM 1003 C SER A 65 75.152 5.971 11.722 1.00 0.00 C ATOM 1004 O SER A 65 75.483 5.035 10.995 1.00 0.00 O ATOM 1005 CB SER A 65 75.977 7.889 10.344 1.00 0.00 C ATOM 1006 OG SER A 65 74.945 8.850 10.198 1.00 0.00 O ATOM 0 H SER A 65 77.586 6.044 12.235 1.00 0.00 H new ATOM 0 HA SER A 65 75.479 7.961 12.434 1.00 0.00 H new ATOM 0 HB2 SER A 65 76.944 8.359 10.166 1.00 0.00 H new ATOM 0 HB3 SER A 65 75.859 7.108 9.593 1.00 0.00 H new ATOM 0 HG SER A 65 74.980 9.234 9.297 1.00 0.00 H new ATOM 1012 N TRP A 66 74.094 5.925 12.524 1.00 0.00 N ATOM 1013 CA TRP A 66 73.242 4.744 12.598 1.00 0.00 C ATOM 1014 C TRP A 66 72.247 4.719 11.442 1.00 0.00 C ATOM 1015 O TRP A 66 71.042 4.876 11.643 1.00 0.00 O ATOM 1016 CB TRP A 66 72.496 4.712 13.933 1.00 0.00 C ATOM 1017 CG TRP A 66 73.341 4.235 15.075 1.00 0.00 C ATOM 1018 CD1 TRP A 66 74.044 3.067 15.143 1.00 0.00 C ATOM 1019 CD2 TRP A 66 73.570 4.915 16.315 1.00 0.00 C ATOM 1020 NE1 TRP A 66 74.697 2.979 16.349 1.00 0.00 N ATOM 1021 CE2 TRP A 66 74.422 4.101 17.086 1.00 0.00 C ATOM 1022 CE3 TRP A 66 73.139 6.134 16.848 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 74.850 4.467 18.359 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 73.565 6.495 18.112 1.00 0.00 C ATOM 1025 CH2 TRP A 66 74.412 5.665 18.856 1.00 0.00 C ATOM 0 H TRP A 66 73.806 6.692 13.132 1.00 0.00 H new ATOM 0 HA TRP A 66 73.877 3.861 12.525 1.00 0.00 H new ATOM 0 HB2 TRP A 66 72.125 5.712 14.158 1.00 0.00 H new ATOM 0 HB3 TRP A 66 71.625 4.063 13.839 1.00 0.00 H new ATOM 0 HD1 TRP A 66 74.082 2.321 14.363 1.00 0.00 H new ATOM 0 HE1 TRP A 66 75.290 2.204 16.647 1.00 0.00 H new ATOM 0 HE3 TRP A 66 72.485 6.781 16.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 75.504 3.829 18.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 73.239 7.434 18.533 1.00 0.00 H new ATOM 0 HH2 TRP A 66 74.726 5.976 19.841 1.00 0.00 H new ATOM 1036 N SER A 67 72.759 4.521 10.231 1.00 0.00 N ATOM 1037 CA SER A 67 71.915 4.477 9.043 1.00 0.00 C ATOM 1038 C SER A 67 72.104 3.166 8.288 1.00 0.00 C ATOM 1039 O SER A 67 71.133 2.517 7.898 1.00 0.00 O ATOM 1040 CB SER A 67 72.232 5.658 8.123 1.00 0.00 C ATOM 1041 OG SER A 67 71.165 5.904 7.224 1.00 0.00 O ATOM 0 H SER A 67 73.754 4.389 10.047 1.00 0.00 H new ATOM 0 HA SER A 67 70.876 4.543 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 67 72.420 6.549 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 67 73.144 5.452 7.563 1.00 0.00 H new ATOM 0 HG SER A 67 71.391 6.664 6.648 1.00 0.00 H new ATOM 1047 N GLN A 68 73.360 2.781 8.084 1.00 0.00 N ATOM 1048 CA GLN A 68 73.674 1.547 7.373 1.00 0.00 C ATOM 1049 C GLN A 68 75.166 1.234 7.456 1.00 0.00 C ATOM 1050 O GLN A 68 75.818 0.982 6.443 1.00 0.00 O ATOM 1051 CB GLN A 68 73.233 1.657 5.910 1.00 0.00 C ATOM 1052 CG GLN A 68 72.323 0.524 5.463 1.00 0.00 C ATOM 1053 CD GLN A 68 71.935 0.632 4.001 1.00 0.00 C ATOM 1054 OE1 GLN A 68 72.712 1.110 3.174 1.00 0.00 O ATOM 1055 NE2 GLN A 68 70.727 0.187 3.675 1.00 0.00 N ATOM 0 H GLN A 68 74.176 3.305 8.401 1.00 0.00 H new ATOM 0 HA GLN A 68 73.130 0.730 7.847 1.00 0.00 H new ATOM 0 HB2 GLN A 68 72.716 2.606 5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 68 74.117 1.675 5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 68 72.824 -0.429 5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 68 71.421 0.523 6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 68 70.116 -0.202 4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 68 70.411 0.234 2.706 1.00 0.00 H new ATOM 1064 N VAL A 69 75.701 1.251 8.672 1.00 0.00 N ATOM 1065 CA VAL A 69 77.116 0.971 8.890 1.00 0.00 C ATOM 1066 C VAL A 69 77.492 -0.413 8.371 1.00 0.00 C ATOM 1067 O VAL A 69 78.506 -0.578 7.694 1.00 0.00 O ATOM 1068 CB VAL A 69 77.483 1.063 10.384 1.00 0.00 C ATOM 1069 CG1 VAL A 69 78.988 0.949 10.572 1.00 0.00 C ATOM 1070 CG2 VAL A 69 76.959 2.359 10.982 1.00 0.00 C ATOM 0 H VAL A 69 75.176 1.456 9.522 1.00 0.00 H new ATOM 0 HA VAL A 69 77.675 1.726 8.338 1.00 0.00 H new ATOM 0 HB VAL A 69 77.012 0.232 10.908 1.00 0.00 H new ATOM 0 HG11 VAL A 69 79.228 1.016 11.633 1.00 0.00 H new ATOM 0 HG12 VAL A 69 79.332 -0.009 10.182 1.00 0.00 H new ATOM 0 HG13 VAL A 69 79.484 1.758 10.036 1.00 0.00 H new ATOM 0 HG21 VAL A 69 77.227 2.407 12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 69 77.399 3.206 10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 69 75.874 2.394 10.881 1.00 0.00 H new ATOM 1080 N VAL A 70 76.667 -1.405 8.691 1.00 0.00 N ATOM 1081 CA VAL A 70 76.916 -2.775 8.258 1.00 0.00 C ATOM 1082 C VAL A 70 77.013 -2.865 6.738 1.00 0.00 C ATOM 1083 O VAL A 70 77.705 -3.730 6.200 1.00 0.00 O ATOM 1084 CB VAL A 70 75.810 -3.729 8.747 1.00 0.00 C ATOM 1085 CG1 VAL A 70 75.876 -3.895 10.257 1.00 0.00 C ATOM 1086 CG2 VAL A 70 74.441 -3.224 8.318 1.00 0.00 C ATOM 0 H VAL A 70 75.821 -1.286 9.248 1.00 0.00 H new ATOM 0 HA VAL A 70 77.867 -3.076 8.698 1.00 0.00 H new ATOM 0 HB VAL A 70 75.971 -4.706 8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 70 75.087 -4.572 10.583 1.00 0.00 H new ATOM 0 HG12 VAL A 70 76.846 -4.307 10.536 1.00 0.00 H new ATOM 0 HG13 VAL A 70 75.743 -2.925 10.736 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.672 -3.911 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 70 74.268 -2.235 8.743 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.400 -3.163 7.230 1.00 0.00 H new ATOM 1096 N ASP A 71 76.313 -1.969 6.050 1.00 0.00 N ATOM 1097 CA ASP A 71 76.319 -1.948 4.591 1.00 0.00 C ATOM 1098 C ASP A 71 77.703 -1.593 4.055 1.00 0.00 C ATOM 1099 O ASP A 71 78.296 -2.351 3.288 1.00 0.00 O ATOM 1100 CB ASP A 71 75.286 -0.948 4.071 1.00 0.00 C ATOM 1101 CG ASP A 71 75.158 -0.982 2.560 1.00 0.00 C ATOM 1102 OD1 ASP A 71 76.174 -0.753 1.873 1.00 0.00 O ATOM 1103 OD2 ASP A 71 74.039 -1.238 2.065 1.00 0.00 O ATOM 0 H ASP A 71 75.734 -1.247 6.479 1.00 0.00 H new ATOM 0 HA ASP A 71 76.059 -2.946 4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 71 74.317 -1.165 4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 71 75.566 0.057 4.387 1.00 0.00 H new ATOM 1108 N VAL A 72 78.211 -0.435 4.466 1.00 0.00 N ATOM 1109 CA VAL A 72 79.524 0.024 4.027 1.00 0.00 C ATOM 1110 C VAL A 72 80.615 -0.983 4.389 1.00 0.00 C ATOM 1111 O VAL A 72 81.686 -0.994 3.784 1.00 0.00 O ATOM 1112 CB VAL A 72 79.872 1.395 4.641 1.00 0.00 C ATOM 1113 CG1 VAL A 72 79.918 1.308 6.160 1.00 0.00 C ATOM 1114 CG2 VAL A 72 81.194 1.910 4.089 1.00 0.00 C ATOM 0 H VAL A 72 77.733 0.203 5.103 1.00 0.00 H new ATOM 0 HA VAL A 72 79.478 0.122 2.942 1.00 0.00 H new ATOM 0 HB VAL A 72 79.090 2.102 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 72 80.165 2.286 6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 72 78.945 0.991 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 72 80.677 0.585 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 72 81.422 2.878 4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 72 81.989 1.204 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 72 81.119 2.017 3.007 1.00 0.00 H new ATOM 1124 N SER A 73 80.339 -1.821 5.383 1.00 0.00 N ATOM 1125 CA SER A 73 81.300 -2.827 5.822 1.00 0.00 C ATOM 1126 C SER A 73 81.252 -4.063 4.928 1.00 0.00 C ATOM 1127 O SER A 73 82.218 -4.822 4.852 1.00 0.00 O ATOM 1128 CB SER A 73 81.027 -3.223 7.273 1.00 0.00 C ATOM 1129 OG SER A 73 81.727 -2.382 8.173 1.00 0.00 O ATOM 0 H SER A 73 79.459 -1.824 5.899 1.00 0.00 H new ATOM 0 HA SER A 73 82.297 -2.392 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.957 -3.165 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 73 81.325 -4.259 7.432 1.00 0.00 H new ATOM 0 HG SER A 73 81.534 -2.656 9.094 1.00 0.00 H new ATOM 1135 N GLU A 74 80.124 -4.261 4.252 1.00 0.00 N ATOM 1136 CA GLU A 74 79.954 -5.410 3.368 1.00 0.00 C ATOM 1137 C GLU A 74 80.790 -5.257 2.100 1.00 0.00 C ATOM 1138 O GLU A 74 81.267 -6.243 1.538 1.00 0.00 O ATOM 1139 CB GLU A 74 78.479 -5.584 3.001 1.00 0.00 C ATOM 1140 CG GLU A 74 77.706 -6.453 3.980 1.00 0.00 C ATOM 1141 CD GLU A 74 76.238 -6.580 3.618 1.00 0.00 C ATOM 1142 OE1 GLU A 74 75.822 -5.981 2.604 1.00 0.00 O ATOM 1143 OE2 GLU A 74 75.506 -7.279 4.349 1.00 0.00 O ATOM 0 H GLU A 74 79.315 -3.642 4.299 1.00 0.00 H new ATOM 0 HA GLU A 74 80.298 -6.297 3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 74 78.008 -4.602 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 74 78.410 -6.023 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 74 78.155 -7.446 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 74 77.794 -6.031 4.981 1.00 0.00 H new ATOM 1150 N VAL A 75 80.963 -4.018 1.654 1.00 0.00 N ATOM 1151 CA VAL A 75 81.738 -3.742 0.449 1.00 0.00 C ATOM 1152 C VAL A 75 83.199 -4.152 0.624 1.00 0.00 C ATOM 1153 O VAL A 75 83.873 -4.508 -0.342 1.00 0.00 O ATOM 1154 CB VAL A 75 81.668 -2.250 0.065 1.00 0.00 C ATOM 1155 CG1 VAL A 75 82.272 -1.378 1.158 1.00 0.00 C ATOM 1156 CG2 VAL A 75 82.361 -2.008 -1.267 1.00 0.00 C ATOM 0 H VAL A 75 80.578 -3.189 2.108 1.00 0.00 H new ATOM 0 HA VAL A 75 81.297 -4.334 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 75 80.619 -1.974 -0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 75 82.211 -0.330 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 75 81.722 -1.526 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 75 83.316 -1.652 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 75 82.301 -0.950 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 75 83.407 -2.305 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 75 81.872 -2.596 -2.044 1.00 0.00 H new ATOM 1166 N LEU A 76 83.683 -4.098 1.862 1.00 0.00 N ATOM 1167 CA LEU A 76 85.064 -4.464 2.161 1.00 0.00 C ATOM 1168 C LEU A 76 85.212 -5.977 2.301 1.00 0.00 C ATOM 1169 O LEU A 76 86.277 -6.534 2.038 1.00 0.00 O ATOM 1170 CB LEU A 76 85.528 -3.777 3.447 1.00 0.00 C ATOM 1171 CG LEU A 76 85.550 -2.247 3.392 1.00 0.00 C ATOM 1172 CD1 LEU A 76 85.006 -1.658 4.684 1.00 0.00 C ATOM 1173 CD2 LEU A 76 86.963 -1.745 3.129 1.00 0.00 C ATOM 0 H LEU A 76 83.140 -3.804 2.674 1.00 0.00 H new ATOM 0 HA LEU A 76 85.687 -4.132 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 76 84.875 -4.087 4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 76 86.530 -4.131 3.689 1.00 0.00 H new ATOM 0 HG LEU A 76 84.910 -1.922 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 76 85.030 -0.570 4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 76 83.979 -1.991 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 76 85.619 -1.990 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 76 86.961 -0.656 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 76 87.623 -2.080 3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 76 87.318 -2.139 2.177 1.00 0.00 H new ATOM 1185 N ARG A 77 84.134 -6.636 2.717 1.00 0.00 N ATOM 1186 CA ARG A 77 84.140 -8.085 2.897 1.00 0.00 C ATOM 1187 C ARG A 77 84.588 -8.801 1.625 1.00 0.00 C ATOM 1188 O ARG A 77 85.155 -9.892 1.683 1.00 0.00 O ATOM 1189 CB ARG A 77 82.748 -8.570 3.307 1.00 0.00 C ATOM 1190 CG ARG A 77 82.771 -9.653 4.375 1.00 0.00 C ATOM 1191 CD ARG A 77 81.974 -9.245 5.604 1.00 0.00 C ATOM 1192 NE ARG A 77 82.834 -8.754 6.678 1.00 0.00 N ATOM 1193 CZ ARG A 77 83.654 -9.529 7.384 1.00 0.00 C ATOM 1194 NH1 ARG A 77 83.729 -10.830 7.133 1.00 0.00 N ATOM 1195 NH2 ARG A 77 84.402 -9.001 8.344 1.00 0.00 N ATOM 0 H ARG A 77 83.244 -6.189 2.936 1.00 0.00 H new ATOM 0 HA ARG A 77 84.852 -8.322 3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 77 82.170 -7.722 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 77 82.231 -8.951 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 77 82.362 -10.577 3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 77 83.802 -9.860 4.662 1.00 0.00 H new ATOM 0 HD2 ARG A 77 81.258 -8.470 5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 77 81.399 -10.099 5.962 1.00 0.00 H new ATOM 0 HE ARG A 77 82.804 -7.759 6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 77 83.156 -11.241 6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 77 84.359 -11.419 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 77 84.349 -8.002 8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 77 85.031 -9.594 8.885 1.00 0.00 H new ATOM 1209 N ASP A 78 84.332 -8.181 0.477 1.00 0.00 N ATOM 1210 CA ASP A 78 84.709 -8.764 -0.805 1.00 0.00 C ATOM 1211 C ASP A 78 86.058 -8.229 -1.274 1.00 0.00 C ATOM 1212 O ASP A 78 86.273 -7.018 -1.329 1.00 0.00 O ATOM 1213 CB ASP A 78 83.638 -8.472 -1.858 1.00 0.00 C ATOM 1214 CG ASP A 78 82.289 -9.056 -1.487 1.00 0.00 C ATOM 1215 OD1 ASP A 78 82.236 -10.253 -1.132 1.00 0.00 O ATOM 1216 OD2 ASP A 78 81.284 -8.317 -1.552 1.00 0.00 O ATOM 0 H ASP A 78 83.866 -7.276 0.409 1.00 0.00 H new ATOM 0 HA ASP A 78 84.794 -9.842 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 78 83.542 -7.394 -1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 78 83.956 -8.879 -2.818 1.00 0.00 H new ATOM 1221 N GLY A 79 86.964 -9.141 -1.612 1.00 0.00 N ATOM 1222 CA GLY A 79 88.282 -8.744 -2.073 1.00 0.00 C ATOM 1223 C GLY A 79 88.233 -7.931 -3.349 1.00 0.00 C ATOM 1224 O GLY A 79 89.161 -7.179 -3.648 1.00 0.00 O ATOM 0 H GLY A 79 86.809 -10.148 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 79 88.775 -8.162 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 79 88.889 -9.635 -2.237 1.00 0.00 H new ATOM 1228 N THR A 80 87.150 -8.078 -4.105 1.00 0.00 N ATOM 1229 CA THR A 80 86.991 -7.350 -5.357 1.00 0.00 C ATOM 1230 C THR A 80 87.095 -5.841 -5.135 1.00 0.00 C ATOM 1231 O THR A 80 86.353 -5.274 -4.331 1.00 0.00 O ATOM 1232 CB THR A 80 85.641 -7.668 -6.024 1.00 0.00 C ATOM 1233 OG1 THR A 80 84.572 -7.081 -5.272 1.00 0.00 O ATOM 1234 CG2 THR A 80 85.429 -9.171 -6.126 1.00 0.00 C ATOM 0 H THR A 80 86.371 -8.694 -3.872 1.00 0.00 H new ATOM 0 HA THR A 80 87.798 -7.673 -6.015 1.00 0.00 H new ATOM 0 HB THR A 80 85.650 -7.248 -7.030 1.00 0.00 H new ATOM 0 HG1 THR A 80 84.931 -6.390 -4.677 1.00 0.00 H new ATOM 0 HG21 THR A 80 84.468 -9.372 -6.601 1.00 0.00 H new ATOM 0 HG22 THR A 80 86.228 -9.611 -6.723 1.00 0.00 H new ATOM 0 HG23 THR A 80 85.439 -9.608 -5.128 1.00 0.00 H new ATOM 1242 N PRO A 81 88.019 -5.167 -5.846 1.00 0.00 N ATOM 1243 CA PRO A 81 88.215 -3.722 -5.717 1.00 0.00 C ATOM 1244 C PRO A 81 87.200 -2.918 -6.525 1.00 0.00 C ATOM 1245 O PRO A 81 87.091 -3.080 -7.740 1.00 0.00 O ATOM 1246 CB PRO A 81 89.620 -3.523 -6.279 1.00 0.00 C ATOM 1247 CG PRO A 81 89.756 -4.584 -7.317 1.00 0.00 C ATOM 1248 CD PRO A 81 88.951 -5.761 -6.828 1.00 0.00 C ATOM 0 HA PRO A 81 88.088 -3.378 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 81 89.739 -2.528 -6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 81 90.377 -3.627 -5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 81 89.387 -4.234 -8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 81 90.801 -4.859 -7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 81 88.416 -6.247 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 81 89.587 -6.518 -6.369 1.00 0.00 H new ATOM 1256 N ARG A 82 86.460 -2.052 -5.841 1.00 0.00 N ATOM 1257 CA ARG A 82 85.458 -1.215 -6.491 1.00 0.00 C ATOM 1258 C ARG A 82 85.295 0.108 -5.746 1.00 0.00 C ATOM 1259 O ARG A 82 85.182 0.131 -4.521 1.00 0.00 O ATOM 1260 CB ARG A 82 84.109 -1.942 -6.577 1.00 0.00 C ATOM 1261 CG ARG A 82 83.850 -2.920 -5.438 1.00 0.00 C ATOM 1262 CD ARG A 82 83.097 -2.260 -4.295 1.00 0.00 C ATOM 1263 NE ARG A 82 81.706 -1.979 -4.644 1.00 0.00 N ATOM 1264 CZ ARG A 82 80.777 -2.918 -4.799 1.00 0.00 C ATOM 1265 NH1 ARG A 82 81.084 -4.200 -4.638 1.00 0.00 N ATOM 1266 NH2 ARG A 82 79.535 -2.576 -5.113 1.00 0.00 N ATOM 0 H ARG A 82 86.536 -1.911 -4.834 1.00 0.00 H new ATOM 0 HA ARG A 82 85.803 -1.006 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 82 83.310 -1.200 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 82 84.060 -2.482 -7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 82 83.277 -3.769 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 82 84.799 -3.312 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 82 83.127 -2.908 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 82 83.597 -1.331 -4.021 1.00 0.00 H new ATOM 0 HE ARG A 82 81.432 -1.006 -4.776 1.00 0.00 H new ATOM 0 HH11 ARG A 82 82.037 -4.469 -4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 82 80.367 -4.915 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 82 79.292 -1.593 -5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 82 78.822 -3.296 -5.232 1.00 0.00 H new ATOM 1280 N ARG A 83 85.287 1.208 -6.493 1.00 0.00 N ATOM 1281 CA ARG A 83 85.145 2.535 -5.899 1.00 0.00 C ATOM 1282 C ARG A 83 83.828 3.185 -6.312 1.00 0.00 C ATOM 1283 O ARG A 83 83.699 3.707 -7.419 1.00 0.00 O ATOM 1284 CB ARG A 83 86.318 3.429 -6.303 1.00 0.00 C ATOM 1285 CG ARG A 83 86.430 3.648 -7.804 1.00 0.00 C ATOM 1286 CD ARG A 83 87.818 4.133 -8.196 1.00 0.00 C ATOM 1287 NE ARG A 83 88.472 3.221 -9.132 1.00 0.00 N ATOM 1288 CZ ARG A 83 89.720 3.375 -9.567 1.00 0.00 C ATOM 1289 NH1 ARG A 83 90.454 4.399 -9.150 1.00 0.00 N ATOM 1290 NH2 ARG A 83 90.238 2.501 -10.419 1.00 0.00 N ATOM 0 H ARG A 83 85.377 1.208 -7.509 1.00 0.00 H new ATOM 0 HA ARG A 83 85.144 2.417 -4.815 1.00 0.00 H new ATOM 0 HB2 ARG A 83 86.213 4.396 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 83 87.244 2.985 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 83 86.208 2.717 -8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 83 85.685 4.377 -8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 83 87.742 5.123 -8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 83 88.432 4.236 -7.301 1.00 0.00 H new ATOM 0 HE ARG A 83 87.941 2.419 -9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 83 90.062 5.073 -8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 83 91.410 4.512 -9.487 1.00 0.00 H new ATOM 0 HH21 ARG A 83 89.680 1.710 -10.741 1.00 0.00 H new ATOM 0 HH22 ARG A 83 91.195 2.619 -10.752 1.00 0.00 H new ATOM 1304 N ASP A 84 82.850 3.147 -5.412 1.00 0.00 N ATOM 1305 CA ASP A 84 81.540 3.733 -5.672 1.00 0.00 C ATOM 1306 C ASP A 84 80.903 4.211 -4.376 1.00 0.00 C ATOM 1307 O ASP A 84 80.334 3.417 -3.626 1.00 0.00 O ATOM 1308 CB ASP A 84 80.631 2.706 -6.333 1.00 0.00 C ATOM 1309 CG ASP A 84 80.707 2.750 -7.846 1.00 0.00 C ATOM 1310 OD1 ASP A 84 80.037 3.614 -8.450 1.00 0.00 O ATOM 1311 OD2 ASP A 84 81.437 1.920 -8.429 1.00 0.00 O ATOM 0 H ASP A 84 82.941 2.715 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 84 81.672 4.585 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 84 80.904 1.709 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 84 79.602 2.881 -6.019 1.00 0.00 H new ATOM 1316 N GLU A 85 80.998 5.508 -4.111 1.00 0.00 N ATOM 1317 CA GLU A 85 80.439 6.068 -2.887 1.00 0.00 C ATOM 1318 C GLU A 85 80.019 7.521 -3.080 1.00 0.00 C ATOM 1319 O GLU A 85 80.600 8.243 -3.890 1.00 0.00 O ATOM 1320 CB GLU A 85 81.458 5.959 -1.749 1.00 0.00 C ATOM 1321 CG GLU A 85 82.471 4.838 -1.944 1.00 0.00 C ATOM 1322 CD GLU A 85 83.710 5.012 -1.086 1.00 0.00 C ATOM 1323 OE1 GLU A 85 83.901 6.117 -0.536 1.00 0.00 O ATOM 1324 OE2 GLU A 85 84.487 4.042 -0.962 1.00 0.00 O ATOM 0 H GLU A 85 81.453 6.187 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 85 79.548 5.495 -2.630 1.00 0.00 H new ATOM 0 HB2 GLU A 85 81.990 6.906 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 85 80.927 5.799 -0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 85 82.001 3.884 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 85 82.764 4.797 -2.993 1.00 0.00 H new ATOM 1331 N GLU A 86 79.005 7.941 -2.331 1.00 0.00 N ATOM 1332 CA GLU A 86 78.512 9.310 -2.415 1.00 0.00 C ATOM 1333 C GLU A 86 78.312 9.912 -1.048 1.00 0.00 C ATOM 1334 O GLU A 86 77.286 9.738 -0.391 1.00 0.00 O ATOM 1335 CB GLU A 86 77.197 9.345 -3.199 1.00 0.00 C ATOM 1336 CG GLU A 86 76.514 10.705 -3.199 1.00 0.00 C ATOM 1337 CD GLU A 86 75.731 10.969 -4.470 1.00 0.00 C ATOM 1338 OE1 GLU A 86 75.868 10.178 -5.428 1.00 0.00 O ATOM 1339 OE2 GLU A 86 74.980 11.966 -4.508 1.00 0.00 O ATOM 0 H GLU A 86 78.510 7.354 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 86 79.263 9.904 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 86 77.392 9.047 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 86 76.515 8.607 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 86 75.842 10.769 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 86 77.266 11.484 -3.072 1.00 0.00 H new ATOM 1346 N ILE A 87 79.337 10.626 -0.653 1.00 0.00 N ATOM 1347 CA ILE A 87 79.333 11.414 0.541 1.00 0.00 C ATOM 1348 C ILE A 87 79.597 12.776 -0.019 1.00 0.00 C ATOM 1349 O ILE A 87 80.743 13.156 -0.235 1.00 0.00 O ATOM 1350 CB ILE A 87 80.444 10.992 1.537 1.00 0.00 C ATOM 1351 CG1 ILE A 87 79.907 9.950 2.519 1.00 0.00 C ATOM 1352 CG2 ILE A 87 81.004 12.196 2.290 1.00 0.00 C ATOM 1353 CD1 ILE A 87 79.627 8.607 1.881 1.00 0.00 C ATOM 0 H ILE A 87 80.215 10.672 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 87 78.415 11.324 1.122 1.00 0.00 H new ATOM 0 HB ILE A 87 81.259 10.551 0.963 1.00 0.00 H new ATOM 0 HG12 ILE A 87 80.628 9.817 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 87 78.989 10.327 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 87 81.780 11.865 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 87 81.428 12.905 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 87 80.203 12.679 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 87 79.249 7.917 2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 87 78.883 8.726 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 87 80.547 8.208 1.454 1.00 0.00 H new ATOM 1365 N THR A 88 78.542 13.514 -0.267 1.00 0.00 N ATOM 1366 CA THR A 88 78.700 14.786 -0.915 1.00 0.00 C ATOM 1367 C THR A 88 78.459 15.951 0.037 1.00 0.00 C ATOM 1368 O THR A 88 77.318 16.263 0.380 1.00 0.00 O ATOM 1369 CB THR A 88 77.790 14.893 -2.159 1.00 0.00 C ATOM 1370 OG1 THR A 88 77.334 16.239 -2.341 1.00 0.00 O ATOM 1371 CG2 THR A 88 76.601 13.954 -2.065 1.00 0.00 C ATOM 0 H THR A 88 77.582 13.259 -0.034 1.00 0.00 H new ATOM 0 HA THR A 88 79.738 14.849 -1.243 1.00 0.00 H new ATOM 0 HB THR A 88 78.388 14.600 -3.022 1.00 0.00 H new ATOM 0 HG1 THR A 88 76.550 16.398 -1.775 1.00 0.00 H new ATOM 0 HG21 THR A 88 75.984 14.058 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 88 76.955 12.926 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 88 76.009 14.203 -1.184 1.00 0.00 H new ATOM 1379 N ILE A 89 79.545 16.592 0.461 1.00 0.00 N ATOM 1380 CA ILE A 89 79.465 17.725 1.378 1.00 0.00 C ATOM 1381 C ILE A 89 78.480 18.779 0.877 1.00 0.00 C ATOM 1382 O ILE A 89 77.919 19.544 1.663 1.00 0.00 O ATOM 1383 CB ILE A 89 80.851 18.371 1.585 1.00 0.00 C ATOM 1384 CG1 ILE A 89 81.353 19.005 0.282 1.00 0.00 C ATOM 1385 CG2 ILE A 89 81.843 17.334 2.090 1.00 0.00 C ATOM 1386 CD1 ILE A 89 81.677 20.476 0.414 1.00 0.00 C ATOM 0 H ILE A 89 80.495 16.345 0.183 1.00 0.00 H new ATOM 0 HA ILE A 89 79.107 17.339 2.332 1.00 0.00 H new ATOM 0 HB ILE A 89 80.758 19.159 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 89 82.244 18.473 -0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 89 80.596 18.876 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 89 82.817 17.802 2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 89 81.493 16.928 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 89 81.930 16.528 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 89 82.026 20.859 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 89 80.783 21.020 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 89 82.456 20.611 1.164 1.00 0.00 H new ATOM 1398 N LYS A 90 78.277 18.814 -0.436 1.00 0.00 N ATOM 1399 CA LYS A 90 77.358 19.767 -1.046 1.00 0.00 C ATOM 1400 C LYS A 90 76.633 19.127 -2.226 1.00 0.00 C ATOM 1401 O LYS A 90 75.459 18.771 -2.128 1.00 0.00 O ATOM 1402 CB LYS A 90 78.116 21.014 -1.509 1.00 0.00 C ATOM 1403 CG LYS A 90 78.031 22.175 -0.531 1.00 0.00 C ATOM 1404 CD LYS A 90 79.202 23.129 -0.699 1.00 0.00 C ATOM 1405 CE LYS A 90 79.616 23.741 0.630 1.00 0.00 C ATOM 1406 NZ LYS A 90 78.587 24.681 1.153 1.00 0.00 N ATOM 0 H LYS A 90 78.738 18.191 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 90 76.620 20.061 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 90 79.164 20.756 -1.664 1.00 0.00 H new ATOM 0 HB3 LYS A 90 77.720 21.332 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 90 77.096 22.714 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 90 78.015 21.792 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 90 80.047 22.596 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 90 78.930 23.921 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 90 79.786 22.948 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 90 80.562 24.269 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 78.907 25.077 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 78.443 25.452 0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 77.691 24.172 1.294 1.00 0.00 H new ATOM 1420 N ASP A 91 77.343 18.986 -3.339 1.00 0.00 N ATOM 1421 CA ASP A 91 76.776 18.379 -4.538 1.00 0.00 C ATOM 1422 C ASP A 91 77.841 17.601 -5.308 1.00 0.00 C ATOM 1423 O ASP A 91 77.686 17.331 -6.499 1.00 0.00 O ATOM 1424 CB ASP A 91 76.155 19.453 -5.434 1.00 0.00 C ATOM 1425 CG ASP A 91 74.642 19.356 -5.488 1.00 0.00 C ATOM 1426 OD1 ASP A 91 74.046 18.837 -4.522 1.00 0.00 O ATOM 1427 OD2 ASP A 91 74.055 19.799 -6.498 1.00 0.00 O ATOM 0 H ASP A 91 78.314 19.284 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 91 75.996 17.682 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 91 76.440 20.439 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 91 76.559 19.359 -6.442 1.00 0.00 H new ATOM 1432 N ARG A 92 78.923 17.246 -4.620 1.00 0.00 N ATOM 1433 CA ARG A 92 80.010 16.496 -5.234 1.00 0.00 C ATOM 1434 C ARG A 92 80.280 15.218 -4.450 1.00 0.00 C ATOM 1435 O ARG A 92 81.102 15.202 -3.533 1.00 0.00 O ATOM 1436 CB ARG A 92 81.279 17.351 -5.297 1.00 0.00 C ATOM 1437 CG ARG A 92 81.497 18.018 -6.645 1.00 0.00 C ATOM 1438 CD ARG A 92 82.611 19.053 -6.585 1.00 0.00 C ATOM 1439 NE ARG A 92 82.110 20.409 -6.798 1.00 0.00 N ATOM 1440 CZ ARG A 92 82.847 21.505 -6.632 1.00 0.00 C ATOM 1441 NH1 ARG A 92 84.115 21.412 -6.253 1.00 0.00 N ATOM 1442 NH2 ARG A 92 82.313 22.701 -6.848 1.00 0.00 N ATOM 0 H ARG A 92 79.069 17.467 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 92 79.716 16.230 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 92 81.228 18.119 -4.525 1.00 0.00 H new ATOM 0 HB3 ARG A 92 82.141 16.725 -5.067 1.00 0.00 H new ATOM 0 HG2 ARG A 92 81.742 17.261 -7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 92 80.572 18.496 -6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 92 83.106 18.997 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 92 83.362 18.821 -7.340 1.00 0.00 H new ATOM 0 HE ARG A 92 81.140 20.522 -7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 92 84.532 20.496 -6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 92 84.673 22.257 -6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 92 81.339 22.779 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 92 82.877 23.542 -6.721 1.00 0.00 H new ATOM 1456 N LEU A 93 79.577 14.148 -4.815 1.00 0.00 N ATOM 1457 CA LEU A 93 79.725 12.856 -4.146 1.00 0.00 C ATOM 1458 C LEU A 93 81.200 12.534 -3.888 1.00 0.00 C ATOM 1459 O LEU A 93 82.025 12.604 -4.800 1.00 0.00 O ATOM 1460 CB LEU A 93 79.102 11.753 -5.004 1.00 0.00 C ATOM 1461 CG LEU A 93 79.389 11.861 -6.504 1.00 0.00 C ATOM 1462 CD1 LEU A 93 79.899 10.537 -7.050 1.00 0.00 C ATOM 1463 CD2 LEU A 93 78.142 12.305 -7.256 1.00 0.00 C ATOM 0 H LEU A 93 78.896 14.150 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 93 79.211 12.910 -3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 93 79.464 10.788 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 93 78.022 11.763 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 93 80.165 12.612 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 93 80.097 10.636 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 93 80.819 10.261 -6.535 1.00 0.00 H new ATOM 0 HD13 LEU A 93 79.148 9.764 -6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 93 78.365 12.376 -8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 93 77.345 11.578 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 93 77.822 13.279 -6.886 1.00 0.00 H new ATOM 1475 N LEU A 94 81.528 12.183 -2.647 1.00 0.00 N ATOM 1476 CA LEU A 94 82.906 11.853 -2.289 1.00 0.00 C ATOM 1477 C LEU A 94 83.121 10.348 -2.248 1.00 0.00 C ATOM 1478 O LEU A 94 82.766 9.690 -1.270 1.00 0.00 O ATOM 1479 CB LEU A 94 83.282 12.435 -0.923 1.00 0.00 C ATOM 1480 CG LEU A 94 83.196 13.960 -0.805 1.00 0.00 C ATOM 1481 CD1 LEU A 94 83.044 14.374 0.653 1.00 0.00 C ATOM 1482 CD2 LEU A 94 84.425 14.611 -1.423 1.00 0.00 C ATOM 0 H LEU A 94 80.863 12.120 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 94 83.541 12.291 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 94 82.631 11.993 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 94 84.300 12.127 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 94 82.316 14.301 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 94 82.984 15.460 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 94 82.134 13.935 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 94 83.904 14.023 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 94 84.348 15.694 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 94 85.319 14.265 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 94 84.489 14.340 -2.477 1.00 0.00 H new ATOM 1494 N LEU A 95 83.702 9.806 -3.307 1.00 0.00 N ATOM 1495 CA LEU A 95 83.990 8.382 -3.355 1.00 0.00 C ATOM 1496 C LEU A 95 85.453 8.154 -3.017 1.00 0.00 C ATOM 1497 O LEU A 95 86.347 8.596 -3.739 1.00 0.00 O ATOM 1498 CB LEU A 95 83.656 7.785 -4.724 1.00 0.00 C ATOM 1499 CG LEU A 95 84.320 8.476 -5.919 1.00 0.00 C ATOM 1500 CD1 LEU A 95 85.548 7.702 -6.370 1.00 0.00 C ATOM 1501 CD2 LEU A 95 83.331 8.624 -7.067 1.00 0.00 C ATOM 0 H LEU A 95 83.981 10.326 -4.139 1.00 0.00 H new ATOM 0 HA LEU A 95 83.362 7.877 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 95 83.947 6.735 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 95 82.575 7.816 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 95 84.637 9.471 -5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 95 86.006 8.209 -7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 95 86.265 7.648 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 95 85.255 6.694 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 95 83.820 9.117 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 95 82.983 7.639 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 95 82.481 9.223 -6.740 1.00 0.00 H new ATOM 1513 N ILE A 96 85.688 7.463 -1.914 1.00 0.00 N ATOM 1514 CA ILE A 96 87.039 7.190 -1.457 1.00 0.00 C ATOM 1515 C ILE A 96 87.468 5.789 -1.879 1.00 0.00 C ATOM 1516 O ILE A 96 86.636 4.891 -2.017 1.00 0.00 O ATOM 1517 CB ILE A 96 87.144 7.350 0.078 1.00 0.00 C ATOM 1518 CG1 ILE A 96 86.980 8.825 0.473 1.00 0.00 C ATOM 1519 CG2 ILE A 96 88.473 6.810 0.591 1.00 0.00 C ATOM 1520 CD1 ILE A 96 85.652 9.439 0.065 1.00 0.00 C ATOM 0 H ILE A 96 84.956 7.079 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 96 87.710 7.914 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 96 86.342 6.772 0.536 1.00 0.00 H new ATOM 0 HG12 ILE A 96 87.091 8.914 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 96 87.787 9.402 0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 96 88.523 6.934 1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 96 88.556 5.752 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 96 89.292 7.357 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 96 85.620 10.481 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 96 85.544 9.386 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 96 84.837 8.891 0.538 1.00 0.00 H new ATOM 1532 N ASN A 97 88.767 5.607 -2.080 1.00 0.00 N ATOM 1533 CA ASN A 97 89.292 4.321 -2.524 1.00 0.00 C ATOM 1534 C ASN A 97 89.843 3.498 -1.366 1.00 0.00 C ATOM 1535 O ASN A 97 90.924 3.768 -0.845 1.00 0.00 O ATOM 1536 CB ASN A 97 90.386 4.535 -3.573 1.00 0.00 C ATOM 1537 CG ASN A 97 89.970 5.519 -4.650 1.00 0.00 C ATOM 1538 OD1 ASN A 97 88.810 5.923 -4.723 1.00 0.00 O ATOM 1539 ND2 ASN A 97 90.917 5.908 -5.495 1.00 0.00 N ATOM 0 H ASN A 97 89.474 6.330 -1.944 1.00 0.00 H new ATOM 0 HA ASN A 97 88.464 3.764 -2.962 1.00 0.00 H new ATOM 0 HB2 ASN A 97 91.290 4.898 -3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 97 90.635 3.579 -4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 97 90.695 6.567 -6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 97 91.866 5.548 -5.398 1.00 0.00 H new ATOM 1546 N THR A 98 89.074 2.486 -0.977 1.00 0.00 N ATOM 1547 CA THR A 98 89.459 1.583 0.098 1.00 0.00 C ATOM 1548 C THR A 98 89.008 0.168 -0.236 1.00 0.00 C ATOM 1549 O THR A 98 87.844 -0.184 -0.047 1.00 0.00 O ATOM 1550 CB THR A 98 88.845 2.008 1.446 1.00 0.00 C ATOM 1551 OG1 THR A 98 87.440 2.240 1.294 1.00 0.00 O ATOM 1552 CG2 THR A 98 89.516 3.267 1.973 1.00 0.00 C ATOM 0 H THR A 98 88.170 2.271 -1.397 1.00 0.00 H new ATOM 0 HA THR A 98 90.544 1.621 0.192 1.00 0.00 H new ATOM 0 HB THR A 98 89.005 1.202 2.162 1.00 0.00 H new ATOM 0 HG1 THR A 98 87.044 1.515 0.766 1.00 0.00 H new ATOM 0 HG21 THR A 98 89.066 3.548 2.925 1.00 0.00 H new ATOM 0 HG22 THR A 98 90.580 3.080 2.116 1.00 0.00 H new ATOM 0 HG23 THR A 98 89.383 4.077 1.256 1.00 0.00 H new ATOM 1560 N VAL A 99 89.937 -0.642 -0.731 1.00 0.00 N ATOM 1561 CA VAL A 99 89.626 -2.013 -1.115 1.00 0.00 C ATOM 1562 C VAL A 99 90.726 -2.979 -0.689 1.00 0.00 C ATOM 1563 O VAL A 99 91.895 -2.601 -0.598 1.00 0.00 O ATOM 1564 CB VAL A 99 89.421 -2.129 -2.636 1.00 0.00 C ATOM 1565 CG1 VAL A 99 88.155 -1.400 -3.061 1.00 0.00 C ATOM 1566 CG2 VAL A 99 90.632 -1.585 -3.379 1.00 0.00 C ATOM 0 H VAL A 99 90.910 -0.373 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 99 88.702 -2.280 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 99 89.309 -3.183 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 99 88.026 -1.493 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 99 87.295 -1.838 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 99 88.235 -0.346 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 99 90.470 -1.675 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 99 90.777 -0.536 -3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 99 91.518 -2.154 -3.097 1.00 0.00 H new ATOM 1576 N PRO A 100 90.363 -4.247 -0.421 1.00 0.00 N ATOM 1577 CA PRO A 100 91.301 -5.274 -0.007 1.00 0.00 C ATOM 1578 C PRO A 100 91.731 -6.166 -1.168 1.00 0.00 C ATOM 1579 O PRO A 100 90.916 -6.889 -1.741 1.00 0.00 O ATOM 1580 CB PRO A 100 90.468 -6.073 0.994 1.00 0.00 C ATOM 1581 CG PRO A 100 89.038 -5.900 0.559 1.00 0.00 C ATOM 1582 CD PRO A 100 89.003 -4.790 -0.471 1.00 0.00 C ATOM 0 HA PRO A 100 92.230 -4.866 0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 100 90.754 -7.125 0.991 1.00 0.00 H new ATOM 0 HB3 PRO A 100 90.616 -5.705 2.009 1.00 0.00 H new ATOM 0 HG2 PRO A 100 88.652 -6.827 0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 100 88.406 -5.651 1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 100 88.756 -5.168 -1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 100 88.258 -4.034 -0.224 1.00 0.00 H new ATOM 1590 N VAL A 101 93.014 -6.109 -1.509 1.00 0.00 N ATOM 1591 CA VAL A 101 93.550 -6.912 -2.602 1.00 0.00 C ATOM 1592 C VAL A 101 94.119 -8.236 -2.095 1.00 0.00 C ATOM 1593 O VAL A 101 94.932 -8.872 -2.766 1.00 0.00 O ATOM 1594 CB VAL A 101 94.647 -6.147 -3.374 1.00 0.00 C ATOM 1595 CG1 VAL A 101 95.859 -5.894 -2.486 1.00 0.00 C ATOM 1596 CG2 VAL A 101 95.043 -6.905 -4.632 1.00 0.00 C ATOM 0 H VAL A 101 93.702 -5.516 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 101 92.720 -7.120 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 101 94.243 -5.180 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 101 96.618 -5.354 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 101 95.560 -5.301 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 101 96.268 -6.846 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 101 95.817 -6.350 -5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 101 95.424 -7.889 -4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 101 94.172 -7.020 -5.277 1.00 0.00 H new ATOM 1606 N ARG A 102 93.686 -8.650 -0.908 1.00 0.00 N ATOM 1607 CA ARG A 102 94.155 -9.898 -0.318 1.00 0.00 C ATOM 1608 C ARG A 102 93.439 -11.093 -0.940 1.00 0.00 C ATOM 1609 O ARG A 102 92.243 -11.034 -1.223 1.00 0.00 O ATOM 1610 CB ARG A 102 93.933 -9.888 1.195 1.00 0.00 C ATOM 1611 CG ARG A 102 94.611 -11.039 1.917 1.00 0.00 C ATOM 1612 CD ARG A 102 96.119 -10.855 1.964 1.00 0.00 C ATOM 1613 NE ARG A 102 96.506 -9.711 2.786 1.00 0.00 N ATOM 1614 CZ ARG A 102 97.767 -9.343 2.998 1.00 0.00 C ATOM 1615 NH1 ARG A 102 98.766 -10.025 2.453 1.00 0.00 N ATOM 1616 NH2 ARG A 102 98.030 -8.288 3.758 1.00 0.00 N ATOM 0 H ARG A 102 93.012 -8.140 -0.337 1.00 0.00 H new ATOM 0 HA ARG A 102 95.222 -9.988 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 102 94.303 -8.947 1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 102 92.862 -9.924 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 102 94.221 -11.114 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 102 94.373 -11.976 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 102 96.582 -11.759 2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 102 96.499 -10.719 0.952 1.00 0.00 H new ATOM 0 HE ARG A 102 95.766 -9.162 3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 102 98.570 -10.837 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 102 99.730 -9.738 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 102 97.266 -7.760 4.179 1.00 0.00 H new ATOM 0 HH22 ARG A 102 98.996 -8.005 3.921 1.00 0.00 H new ATOM 1630 N SER A 103 94.181 -12.176 -1.150 1.00 0.00 N ATOM 1631 CA SER A 103 93.617 -13.385 -1.739 1.00 0.00 C ATOM 1632 C SER A 103 92.464 -13.916 -0.893 1.00 0.00 C ATOM 1633 O SER A 103 92.367 -13.619 0.297 1.00 0.00 O ATOM 1634 CB SER A 103 94.696 -14.458 -1.884 1.00 0.00 C ATOM 1635 OG SER A 103 95.287 -14.760 -0.633 1.00 0.00 O ATOM 0 H SER A 103 95.173 -12.241 -0.921 1.00 0.00 H new ATOM 0 HA SER A 103 93.232 -13.132 -2.727 1.00 0.00 H new ATOM 0 HB2 SER A 103 94.260 -15.361 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 103 95.463 -14.115 -2.579 1.00 0.00 H new ATOM 0 HG SER A 103 95.972 -15.450 -0.753 1.00 0.00 H new ATOM 1641 N ASN A 104 91.594 -14.704 -1.516 1.00 0.00 N ATOM 1642 CA ASN A 104 90.447 -15.278 -0.821 1.00 0.00 C ATOM 1643 C ASN A 104 90.897 -16.119 0.369 1.00 0.00 C ATOM 1644 O ASN A 104 92.092 -16.306 0.594 1.00 0.00 O ATOM 1645 CB ASN A 104 89.616 -16.131 -1.780 1.00 0.00 C ATOM 1646 CG ASN A 104 88.132 -16.056 -1.481 1.00 0.00 C ATOM 1647 OD1 ASN A 104 87.678 -15.179 -0.745 1.00 0.00 O ATOM 1648 ND2 ASN A 104 87.365 -16.978 -2.052 1.00 0.00 N ATOM 0 H ASN A 104 91.661 -14.960 -2.501 1.00 0.00 H new ATOM 0 HA ASN A 104 89.831 -14.458 -0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 104 89.795 -15.801 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 104 89.945 -17.168 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 104 86.358 -16.977 -1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 104 87.783 -17.687 -2.655 1.00 0.00 H new ATOM 1655 N GLY A 105 89.930 -16.627 1.129 1.00 0.00 N ATOM 1656 CA GLY A 105 90.247 -17.441 2.286 1.00 0.00 C ATOM 1657 C GLY A 105 90.572 -16.604 3.509 1.00 0.00 C ATOM 1658 O GLY A 105 91.741 -16.409 3.843 1.00 0.00 O ATOM 0 H GLY A 105 88.933 -16.488 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 105 89.404 -18.094 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 105 91.096 -18.084 2.053 1.00 0.00 H new ATOM 1662 N VAL A 106 89.536 -16.110 4.178 1.00 0.00 N ATOM 1663 CA VAL A 106 89.714 -15.288 5.369 1.00 0.00 C ATOM 1664 C VAL A 106 90.410 -13.974 5.029 1.00 0.00 C ATOM 1665 O VAL A 106 91.603 -13.806 5.285 1.00 0.00 O ATOM 1666 CB VAL A 106 90.533 -16.027 6.445 1.00 0.00 C ATOM 1667 CG1 VAL A 106 90.536 -15.240 7.747 1.00 0.00 C ATOM 1668 CG2 VAL A 106 89.987 -17.431 6.663 1.00 0.00 C ATOM 0 H VAL A 106 88.563 -16.265 3.915 1.00 0.00 H new ATOM 0 HA VAL A 106 88.719 -15.079 5.762 1.00 0.00 H new ATOM 0 HB VAL A 106 91.562 -16.113 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 106 91.119 -15.777 8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 106 90.979 -14.258 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 106 89.512 -15.120 8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 106 90.578 -17.937 7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 106 88.949 -17.371 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 106 90.043 -17.992 5.730 1.00 0.00 H new ATOM 1678 N ILE A 107 89.657 -13.044 4.452 1.00 0.00 N ATOM 1679 CA ILE A 107 90.201 -11.743 4.080 1.00 0.00 C ATOM 1680 C ILE A 107 90.654 -10.967 5.312 1.00 0.00 C ATOM 1681 O ILE A 107 89.998 -10.998 6.354 1.00 0.00 O ATOM 1682 CB ILE A 107 89.168 -10.903 3.302 1.00 0.00 C ATOM 1683 CG1 ILE A 107 89.782 -9.571 2.864 1.00 0.00 C ATOM 1684 CG2 ILE A 107 87.926 -10.667 4.151 1.00 0.00 C ATOM 1685 CD1 ILE A 107 89.280 -9.086 1.521 1.00 0.00 C ATOM 0 H ILE A 107 88.669 -13.167 4.232 1.00 0.00 H new ATOM 0 HA ILE A 107 91.061 -11.929 3.436 1.00 0.00 H new ATOM 0 HB ILE A 107 88.874 -11.456 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 107 89.565 -8.815 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 107 90.866 -9.677 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 107 87.207 -10.073 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 107 87.478 -11.625 4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 107 88.203 -10.134 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 107 89.758 -8.138 1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 107 89.521 -9.823 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 107 88.200 -8.948 1.565 1.00 0.00 H new ATOM 1697 N ILE A 108 91.780 -10.272 5.188 1.00 0.00 N ATOM 1698 CA ILE A 108 92.319 -9.489 6.292 1.00 0.00 C ATOM 1699 C ILE A 108 93.369 -8.496 5.803 1.00 0.00 C ATOM 1700 O ILE A 108 94.226 -8.836 4.988 1.00 0.00 O ATOM 1701 CB ILE A 108 92.941 -10.398 7.373 1.00 0.00 C ATOM 1702 CG1 ILE A 108 93.389 -9.566 8.576 1.00 0.00 C ATOM 1703 CG2 ILE A 108 94.109 -11.186 6.800 1.00 0.00 C ATOM 1704 CD1 ILE A 108 92.239 -8.996 9.378 1.00 0.00 C ATOM 0 H ILE A 108 92.336 -10.236 4.334 1.00 0.00 H new ATOM 0 HA ILE A 108 91.485 -8.939 6.729 1.00 0.00 H new ATOM 0 HB ILE A 108 92.183 -11.106 7.708 1.00 0.00 H new ATOM 0 HG12 ILE A 108 94.004 -10.186 9.228 1.00 0.00 H new ATOM 0 HG13 ILE A 108 94.019 -8.748 8.227 1.00 0.00 H new ATOM 0 HG21 ILE A 108 94.535 -11.821 7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 108 93.759 -11.806 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 108 94.871 -10.496 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 108 92.630 -8.418 10.215 1.00 0.00 H new ATOM 0 HD12 ILE A 108 91.636 -8.349 8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 108 91.621 -9.810 9.757 1.00 0.00 H new ATOM 1716 N GLY A 109 93.295 -7.270 6.308 1.00 0.00 N ATOM 1717 CA GLY A 109 94.245 -6.246 5.912 1.00 0.00 C ATOM 1718 C GLY A 109 93.817 -5.516 4.655 1.00 0.00 C ATOM 1719 O GLY A 109 93.558 -6.137 3.625 1.00 0.00 O ATOM 0 H GLY A 109 92.595 -6.966 6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 109 94.361 -5.528 6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 109 95.221 -6.703 5.749 1.00 0.00 H new ATOM 1723 N ALA A 110 93.744 -4.192 4.740 1.00 0.00 N ATOM 1724 CA ALA A 110 93.344 -3.373 3.603 1.00 0.00 C ATOM 1725 C ALA A 110 94.027 -2.011 3.640 1.00 0.00 C ATOM 1726 O ALA A 110 94.340 -1.493 4.713 1.00 0.00 O ATOM 1727 CB ALA A 110 91.832 -3.208 3.578 1.00 0.00 C ATOM 0 H ALA A 110 93.957 -3.663 5.586 1.00 0.00 H new ATOM 0 HA ALA A 110 93.658 -3.882 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 110 91.547 -2.594 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 110 91.360 -4.187 3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 110 91.504 -2.724 4.498 1.00 0.00 H new ATOM 1733 N ILE A 111 94.260 -1.436 2.465 1.00 0.00 N ATOM 1734 CA ILE A 111 94.908 -0.134 2.367 1.00 0.00 C ATOM 1735 C ILE A 111 93.901 0.954 2.007 1.00 0.00 C ATOM 1736 O ILE A 111 93.042 0.759 1.147 1.00 0.00 O ATOM 1737 CB ILE A 111 96.035 -0.143 1.318 1.00 0.00 C ATOM 1738 CG1 ILE A 111 95.501 -0.616 -0.034 1.00 0.00 C ATOM 1739 CG2 ILE A 111 97.181 -1.031 1.781 1.00 0.00 C ATOM 1740 CD1 ILE A 111 96.408 -0.273 -1.196 1.00 0.00 C ATOM 0 H ILE A 111 94.010 -1.851 1.568 1.00 0.00 H new ATOM 0 HA ILE A 111 95.337 0.080 3.346 1.00 0.00 H new ATOM 0 HB ILE A 111 96.411 0.873 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 111 95.358 -1.696 -0.001 1.00 0.00 H new ATOM 0 HG13 ILE A 111 94.521 -0.170 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 111 97.970 -1.028 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 111 97.576 -0.653 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 111 96.818 -2.049 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 111 95.966 -0.639 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 111 96.531 0.808 -1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 111 97.381 -0.741 -1.048 1.00 0.00 H new ATOM 1752 N SER A 112 94.010 2.099 2.673 1.00 0.00 N ATOM 1753 CA SER A 112 93.110 3.217 2.422 1.00 0.00 C ATOM 1754 C SER A 112 93.802 4.301 1.601 1.00 0.00 C ATOM 1755 O SER A 112 95.016 4.480 1.689 1.00 0.00 O ATOM 1756 CB SER A 112 92.611 3.804 3.745 1.00 0.00 C ATOM 1757 OG SER A 112 93.662 3.896 4.691 1.00 0.00 O ATOM 0 H SER A 112 94.713 2.276 3.391 1.00 0.00 H new ATOM 0 HA SER A 112 92.259 2.844 1.853 1.00 0.00 H new ATOM 0 HB2 SER A 112 92.187 4.793 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 112 91.811 3.180 4.145 1.00 0.00 H new ATOM 0 HG SER A 112 93.318 4.275 5.526 1.00 0.00 H new ATOM 1763 N THR A 113 93.020 5.022 0.802 1.00 0.00 N ATOM 1764 CA THR A 113 93.557 6.086 -0.037 1.00 0.00 C ATOM 1765 C THR A 113 92.973 7.441 0.348 1.00 0.00 C ATOM 1766 O THR A 113 91.757 7.596 0.453 1.00 0.00 O ATOM 1767 CB THR A 113 93.272 5.823 -1.527 1.00 0.00 C ATOM 1768 OG1 THR A 113 93.622 4.475 -1.863 1.00 0.00 O ATOM 1769 CG2 THR A 113 94.051 6.789 -2.407 1.00 0.00 C ATOM 0 H THR A 113 92.012 4.888 0.719 1.00 0.00 H new ATOM 0 HA THR A 113 94.635 6.100 0.124 1.00 0.00 H new ATOM 0 HB THR A 113 92.207 5.976 -1.702 1.00 0.00 H new ATOM 0 HG1 THR A 113 92.878 3.878 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A 113 93.833 6.583 -3.455 1.00 0.00 H new ATOM 0 HG22 THR A 113 93.760 7.812 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 113 95.119 6.664 -2.227 1.00 0.00 H new ATOM 1777 N PHE A 114 93.849 8.420 0.557 1.00 0.00 N ATOM 1778 CA PHE A 114 93.420 9.764 0.929 1.00 0.00 C ATOM 1779 C PHE A 114 94.394 10.811 0.398 1.00 0.00 C ATOM 1780 O PHE A 114 95.609 10.656 0.510 1.00 0.00 O ATOM 1781 CB PHE A 114 93.304 9.881 2.449 1.00 0.00 C ATOM 1782 CG PHE A 114 92.652 11.156 2.905 1.00 0.00 C ATOM 1783 CD1 PHE A 114 91.405 11.522 2.425 1.00 0.00 C ATOM 1784 CD2 PHE A 114 93.288 11.989 3.812 1.00 0.00 C ATOM 1785 CE1 PHE A 114 90.803 12.693 2.841 1.00 0.00 C ATOM 1786 CE2 PHE A 114 92.690 13.161 4.233 1.00 0.00 C ATOM 1787 CZ PHE A 114 91.446 13.514 3.747 1.00 0.00 C ATOM 0 H PHE A 114 94.859 8.307 0.475 1.00 0.00 H new ATOM 0 HA PHE A 114 92.442 9.945 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 114 92.732 9.034 2.828 1.00 0.00 H new ATOM 0 HB3 PHE A 114 94.300 9.815 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 114 90.898 10.884 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 114 94.262 11.719 4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 114 89.831 12.967 2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 114 93.195 13.801 4.942 1.00 0.00 H new ATOM 0 HZ PHE A 114 90.977 14.430 4.075 1.00 0.00 H new ATOM 1797 N ARG A 115 93.850 11.878 -0.179 1.00 0.00 N ATOM 1798 CA ARG A 115 94.671 12.952 -0.728 1.00 0.00 C ATOM 1799 C ARG A 115 94.093 14.317 -0.369 1.00 0.00 C ATOM 1800 O ARG A 115 93.106 14.757 -0.959 1.00 0.00 O ATOM 1801 CB ARG A 115 94.780 12.816 -2.247 1.00 0.00 C ATOM 1802 CG ARG A 115 95.689 13.851 -2.887 1.00 0.00 C ATOM 1803 CD ARG A 115 96.294 13.338 -4.185 1.00 0.00 C ATOM 1804 NE ARG A 115 95.710 13.988 -5.355 1.00 0.00 N ATOM 1805 CZ ARG A 115 96.267 13.979 -6.565 1.00 0.00 C ATOM 1806 NH1 ARG A 115 97.422 13.356 -6.766 1.00 0.00 N ATOM 1807 NH2 ARG A 115 95.668 14.592 -7.576 1.00 0.00 N ATOM 0 H ARG A 115 92.845 12.022 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 115 95.666 12.872 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 115 95.151 11.820 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 115 93.785 12.900 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 115 95.123 14.762 -3.084 1.00 0.00 H new ATOM 0 HG3 ARG A 115 96.486 14.115 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 115 97.371 13.508 -4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 115 96.142 12.261 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 115 94.823 14.478 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 115 97.887 12.881 -5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 115 97.844 13.352 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 115 94.780 15.071 -7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 115 96.095 14.585 -8.502 1.00 0.00 H new ATOM 1821 N ASP A 116 94.713 14.982 0.599 1.00 0.00 N ATOM 1822 CA ASP A 116 94.261 16.298 1.034 1.00 0.00 C ATOM 1823 C ASP A 116 95.411 17.300 1.023 1.00 0.00 C ATOM 1824 O ASP A 116 96.565 16.938 1.258 1.00 0.00 O ATOM 1825 CB ASP A 116 93.654 16.216 2.436 1.00 0.00 C ATOM 1826 CG ASP A 116 92.411 17.072 2.579 1.00 0.00 C ATOM 1827 OD1 ASP A 116 91.319 16.602 2.198 1.00 0.00 O ATOM 1828 OD2 ASP A 116 92.531 18.214 3.072 1.00 0.00 O ATOM 0 H ASP A 116 95.531 14.631 1.098 1.00 0.00 H new ATOM 0 HA ASP A 116 93.498 16.640 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 116 93.405 15.179 2.661 1.00 0.00 H new ATOM 0 HB3 ASP A 116 94.396 16.532 3.169 1.00 0.00 H new