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 Set 1.1: A 61 THR OG1 : rot 122:sc= 0.796 USER MOD Set 1.2: A 64 HIS :FLIP no HE2:sc= 0.602 F(o=-0.65,f=1.4) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 0 (180deg=-2.06e-05) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.17) USER MOD Single : A 45 GLN : amide:sc= -0.0158 K(o=-0.016,f=-0.74) USER MOD Single : A 49 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.36) 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= -0.184 X(o=-0.18,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -38:sc= -0.659! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.105 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.82 K(o=-1.8,f=-6.8!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 50:sc= 0.11 USER MOD Single : A 88 THR OG1 : rot -55:sc= -1.31 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=-0.48) USER MOD Single : A 98 THR OG1 : rot 50:sc= 0.457 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 112 SER OG : rot 180:sc= -0.14 USER MOD Single : A 113 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 384 N LYS A 25 101.960 9.012 -4.691 1.00 0.00 N ATOM 385 CA LYS A 25 102.042 10.330 -4.074 1.00 0.00 C ATOM 386 C LYS A 25 100.770 10.646 -3.294 1.00 0.00 C ATOM 387 O LYS A 25 100.310 11.788 -3.272 1.00 0.00 O ATOM 388 CB LYS A 25 102.281 11.403 -5.139 1.00 0.00 C ATOM 389 CG LYS A 25 101.155 11.511 -6.155 1.00 0.00 C ATOM 390 CD LYS A 25 101.642 11.218 -7.566 1.00 0.00 C ATOM 391 CE LYS A 25 100.820 11.960 -8.606 1.00 0.00 C ATOM 392 NZ LYS A 25 99.404 11.499 -8.628 1.00 0.00 N ATOM 0 HA LYS A 25 102.882 10.325 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 25 102.411 12.368 -4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 25 103.212 11.183 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 25 100.359 10.814 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 25 100.726 12.512 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 25 102.690 11.505 -7.657 1.00 0.00 H new ATOM 0 HD3 LYS A 25 101.587 10.146 -7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 25 100.850 13.029 -8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 25 101.264 11.815 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 98.881 12.018 -9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 99.374 10.480 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 98.967 11.676 -7.701 1.00 0.00 H new ATOM 406 N GLU A 26 100.206 9.627 -2.652 1.00 0.00 N ATOM 407 CA GLU A 26 98.986 9.796 -1.871 1.00 0.00 C ATOM 408 C GLU A 26 99.149 9.206 -0.474 1.00 0.00 C ATOM 409 O GLU A 26 98.203 8.661 0.095 1.00 0.00 O ATOM 410 CB GLU A 26 97.802 9.138 -2.583 1.00 0.00 C ATOM 411 CG GLU A 26 96.521 9.953 -2.512 1.00 0.00 C ATOM 412 CD GLU A 26 95.697 9.855 -3.780 1.00 0.00 C ATOM 413 OE1 GLU A 26 95.914 8.903 -4.559 1.00 0.00 O ATOM 414 OE2 GLU A 26 94.833 10.732 -3.996 1.00 0.00 O ATOM 0 H GLU A 26 100.575 8.676 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 26 98.792 10.864 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 26 98.062 8.976 -3.629 1.00 0.00 H new ATOM 0 HB3 GLU A 26 97.624 8.157 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 26 95.923 9.611 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 26 96.769 10.998 -2.324 1.00 0.00 H new ATOM 421 N GLY A 27 100.354 9.317 0.074 1.00 0.00 N ATOM 422 CA GLY A 27 100.619 8.791 1.399 1.00 0.00 C ATOM 423 C GLY A 27 100.843 7.292 1.397 1.00 0.00 C ATOM 424 O GLY A 27 100.593 6.621 0.396 1.00 0.00 O ATOM 0 H GLY A 27 101.153 9.763 -0.377 1.00 0.00 H new ATOM 0 HA2 GLY A 27 101.498 9.285 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 27 99.781 9.029 2.054 1.00 0.00 H new ATOM 428 N VAL A 28 101.315 6.764 2.523 1.00 0.00 N ATOM 429 CA VAL A 28 101.572 5.335 2.649 1.00 0.00 C ATOM 430 C VAL A 28 100.844 4.751 3.857 1.00 0.00 C ATOM 431 O VAL A 28 101.269 4.933 4.997 1.00 0.00 O ATOM 432 CB VAL A 28 103.080 5.044 2.782 1.00 0.00 C ATOM 433 CG1 VAL A 28 103.342 3.545 2.768 1.00 0.00 C ATOM 434 CG2 VAL A 28 103.859 5.736 1.675 1.00 0.00 C ATOM 0 H VAL A 28 101.527 7.306 3.361 1.00 0.00 H new ATOM 0 HA VAL A 28 101.198 4.865 1.739 1.00 0.00 H new ATOM 0 HB VAL A 28 103.421 5.440 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 28 104.412 3.362 2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 28 102.818 3.076 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 28 102.983 3.122 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 28 104.921 5.518 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 28 103.514 5.374 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 28 103.701 6.813 1.737 1.00 0.00 H new ATOM 444 N VAL A 29 99.746 4.051 3.597 1.00 0.00 N ATOM 445 CA VAL A 29 98.958 3.441 4.661 1.00 0.00 C ATOM 446 C VAL A 29 98.267 2.171 4.174 1.00 0.00 C ATOM 447 O VAL A 29 97.314 2.231 3.397 1.00 0.00 O ATOM 448 CB VAL A 29 97.895 4.415 5.203 1.00 0.00 C ATOM 449 CG1 VAL A 29 97.192 3.823 6.414 1.00 0.00 C ATOM 450 CG2 VAL A 29 98.527 5.756 5.545 1.00 0.00 C ATOM 0 H VAL A 29 99.381 3.892 2.658 1.00 0.00 H new ATOM 0 HA VAL A 29 99.652 3.190 5.463 1.00 0.00 H new ATOM 0 HB VAL A 29 97.148 4.578 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 29 96.445 4.527 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 29 96.704 2.890 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 29 97.922 3.627 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 29 97.762 6.432 5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 29 99.296 5.613 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 29 98.977 6.185 4.650 1.00 0.00 H new ATOM 460 N ALA A 30 98.756 1.024 4.635 1.00 0.00 N ATOM 461 CA ALA A 30 98.187 -0.261 4.246 1.00 0.00 C ATOM 462 C ALA A 30 97.535 -0.957 5.435 1.00 0.00 C ATOM 463 O ALA A 30 98.069 -0.943 6.545 1.00 0.00 O ATOM 464 CB ALA A 30 99.260 -1.149 3.635 1.00 0.00 C ATOM 0 H ALA A 30 99.545 0.958 5.278 1.00 0.00 H new ATOM 0 HA ALA A 30 97.414 -0.077 3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 30 98.822 -2.105 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.676 -0.662 2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 30 100.052 -1.317 4.365 1.00 0.00 H new ATOM 470 N VAL A 31 96.378 -1.565 5.196 1.00 0.00 N ATOM 471 CA VAL A 31 95.653 -2.271 6.245 1.00 0.00 C ATOM 472 C VAL A 31 95.613 -3.770 5.970 1.00 0.00 C ATOM 473 O VAL A 31 95.617 -4.197 4.815 1.00 0.00 O ATOM 474 CB VAL A 31 94.212 -1.743 6.384 1.00 0.00 C ATOM 475 CG1 VAL A 31 94.218 -0.267 6.750 1.00 0.00 C ATOM 476 CG2 VAL A 31 93.426 -1.978 5.099 1.00 0.00 C ATOM 0 H VAL A 31 95.922 -1.583 4.284 1.00 0.00 H new ATOM 0 HA VAL A 31 96.187 -2.091 7.178 1.00 0.00 H new ATOM 0 HB VAL A 31 93.721 -2.293 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 93.192 0.089 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 31 94.738 -0.129 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 31 94.728 0.299 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.411 -1.598 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 31 93.913 -1.458 4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 31 93.390 -3.046 4.884 1.00 0.00 H new ATOM 486 N ASP A 32 95.577 -4.566 7.034 1.00 0.00 N ATOM 487 CA ASP A 32 95.537 -6.017 6.898 1.00 0.00 C ATOM 488 C ASP A 32 94.142 -6.485 6.504 1.00 0.00 C ATOM 489 O ASP A 32 93.469 -7.189 7.258 1.00 0.00 O ATOM 490 CB ASP A 32 95.978 -6.688 8.201 1.00 0.00 C ATOM 491 CG ASP A 32 96.912 -7.857 7.960 1.00 0.00 C ATOM 492 OD1 ASP A 32 96.548 -8.760 7.177 1.00 0.00 O ATOM 493 OD2 ASP A 32 98.012 -7.871 8.554 1.00 0.00 O ATOM 0 H ASP A 32 95.575 -4.231 7.998 1.00 0.00 H new ATOM 0 HA ASP A 32 96.229 -6.305 6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 32 96.475 -5.954 8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 32 95.099 -7.035 8.744 1.00 0.00 H new ATOM 498 N ASP A 33 93.716 -6.084 5.313 1.00 0.00 N ATOM 499 CA ASP A 33 92.405 -6.455 4.797 1.00 0.00 C ATOM 500 C ASP A 33 91.300 -6.125 5.798 1.00 0.00 C ATOM 501 O ASP A 33 90.242 -6.754 5.798 1.00 0.00 O ATOM 502 CB ASP A 33 92.371 -7.947 4.459 1.00 0.00 C ATOM 503 CG ASP A 33 91.219 -8.304 3.541 1.00 0.00 C ATOM 504 OD1 ASP A 33 90.826 -7.448 2.721 1.00 0.00 O ATOM 505 OD2 ASP A 33 90.710 -9.440 3.641 1.00 0.00 O ATOM 0 H ASP A 33 94.264 -5.498 4.683 1.00 0.00 H new ATOM 0 HA ASP A 33 92.228 -5.876 3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.311 -8.231 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.291 -8.524 5.380 1.00 0.00 H new ATOM 510 N ARG A 34 91.549 -5.133 6.648 1.00 0.00 N ATOM 511 CA ARG A 34 90.573 -4.724 7.652 1.00 0.00 C ATOM 512 C ARG A 34 90.736 -3.248 8.001 1.00 0.00 C ATOM 513 O ARG A 34 89.941 -2.409 7.578 1.00 0.00 O ATOM 514 CB ARG A 34 90.720 -5.577 8.914 1.00 0.00 C ATOM 515 CG ARG A 34 89.967 -6.896 8.852 1.00 0.00 C ATOM 516 CD ARG A 34 88.462 -6.683 8.893 1.00 0.00 C ATOM 517 NE ARG A 34 87.838 -6.924 7.595 1.00 0.00 N ATOM 518 CZ ARG A 34 87.708 -8.129 7.045 1.00 0.00 C ATOM 519 NH1 ARG A 34 88.163 -9.205 7.675 1.00 0.00 N ATOM 520 NH2 ARG A 34 87.124 -8.259 5.862 1.00 0.00 N ATOM 0 H ARG A 34 92.417 -4.598 6.661 1.00 0.00 H new ATOM 0 HA ARG A 34 89.577 -4.872 7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 34 91.777 -5.780 9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 34 90.364 -5.006 9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 34 90.235 -7.426 7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 34 90.269 -7.528 9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 34 88.022 -7.349 9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 34 88.249 -5.663 9.213 1.00 0.00 H new ATOM 0 HE ARG A 34 87.480 -6.120 7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 34 88.615 -9.111 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 34 88.061 -10.126 7.249 1.00 0.00 H new ATOM 0 HH21 ARG A 34 86.774 -7.435 5.373 1.00 0.00 H new ATOM 0 HH22 ARG A 34 87.025 -9.183 5.441 1.00 0.00 H new ATOM 534 N GLY A 35 91.772 -2.941 8.774 1.00 0.00 N ATOM 535 CA GLY A 35 92.022 -1.567 9.169 1.00 0.00 C ATOM 536 C GLY A 35 92.953 -1.470 10.361 1.00 0.00 C ATOM 537 O GLY A 35 92.652 -0.784 11.338 1.00 0.00 O ATOM 0 H GLY A 35 92.443 -3.619 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 35 92.454 -1.023 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 35 91.076 -1.083 9.410 1.00 0.00 H new ATOM 541 N GLU A 36 94.086 -2.158 10.280 1.00 0.00 N ATOM 542 CA GLU A 36 95.064 -2.150 11.361 1.00 0.00 C ATOM 543 C GLU A 36 96.087 -1.036 11.164 1.00 0.00 C ATOM 544 O GLU A 36 97.184 -1.270 10.656 1.00 0.00 O ATOM 545 CB GLU A 36 95.775 -3.503 11.442 1.00 0.00 C ATOM 546 CG GLU A 36 96.754 -3.608 12.599 1.00 0.00 C ATOM 547 CD GLU A 36 97.330 -5.002 12.750 1.00 0.00 C ATOM 548 OE1 GLU A 36 97.681 -5.615 11.718 1.00 0.00 O ATOM 549 OE2 GLU A 36 97.432 -5.482 13.899 1.00 0.00 O ATOM 0 H GLU A 36 94.350 -2.729 9.477 1.00 0.00 H new ATOM 0 HA GLU A 36 94.533 -1.968 12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 36 95.028 -4.291 11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 36 96.309 -3.680 10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 36 97.567 -2.897 12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.250 -3.325 13.523 1.00 0.00 H new ATOM 556 N VAL A 37 95.722 0.177 11.569 1.00 0.00 N ATOM 557 CA VAL A 37 96.610 1.325 11.439 1.00 0.00 C ATOM 558 C VAL A 37 97.707 1.291 12.496 1.00 0.00 C ATOM 559 O VAL A 37 97.452 0.979 13.659 1.00 0.00 O ATOM 560 CB VAL A 37 95.838 2.653 11.558 1.00 0.00 C ATOM 561 CG1 VAL A 37 94.908 2.840 10.368 1.00 0.00 C ATOM 562 CG2 VAL A 37 95.060 2.703 12.864 1.00 0.00 C ATOM 0 H VAL A 37 94.817 0.389 11.990 1.00 0.00 H new ATOM 0 HA VAL A 37 97.060 1.265 10.448 1.00 0.00 H new ATOM 0 HB VAL A 37 96.558 3.471 11.559 1.00 0.00 H new ATOM 0 HG11 VAL A 37 94.372 3.783 10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 37 95.492 2.853 9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 37 94.193 2.018 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 37 94.521 3.648 12.931 1.00 0.00 H new ATOM 0 HG22 VAL A 37 94.349 1.877 12.896 1.00 0.00 H new ATOM 0 HG23 VAL A 37 95.751 2.620 13.703 1.00 0.00 H new ATOM 572 N THR A 38 98.929 1.615 12.084 1.00 0.00 N ATOM 573 CA THR A 38 100.069 1.620 12.996 1.00 0.00 C ATOM 574 C THR A 38 101.370 1.894 12.248 1.00 0.00 C ATOM 575 O THR A 38 102.281 2.530 12.780 1.00 0.00 O ATOM 576 CB THR A 38 100.198 0.280 13.746 1.00 0.00 C ATOM 577 OG1 THR A 38 101.460 0.216 14.420 1.00 0.00 O ATOM 578 CG2 THR A 38 100.071 -0.893 12.786 1.00 0.00 C ATOM 0 H THR A 38 99.156 1.878 11.125 1.00 0.00 H new ATOM 0 HA THR A 38 99.890 2.417 13.718 1.00 0.00 H new ATOM 0 HB THR A 38 99.392 0.219 14.477 1.00 0.00 H new ATOM 0 HG1 THR A 38 101.534 -0.638 14.896 1.00 0.00 H new ATOM 0 HG21 THR A 38 100.165 -1.828 13.339 1.00 0.00 H new ATOM 0 HG22 THR A 38 99.098 -0.858 12.296 1.00 0.00 H new ATOM 0 HG23 THR A 38 100.858 -0.835 12.034 1.00 0.00 H new ATOM 586 N LEU A 39 101.450 1.413 11.012 1.00 0.00 N ATOM 587 CA LEU A 39 102.637 1.607 10.191 1.00 0.00 C ATOM 588 C LEU A 39 102.432 2.752 9.203 1.00 0.00 C ATOM 589 O LEU A 39 101.561 2.687 8.335 1.00 0.00 O ATOM 590 CB LEU A 39 102.977 0.321 9.435 1.00 0.00 C ATOM 591 CG LEU A 39 104.293 0.355 8.656 1.00 0.00 C ATOM 592 CD1 LEU A 39 105.447 -0.088 9.541 1.00 0.00 C ATOM 593 CD2 LEU A 39 104.201 -0.523 7.418 1.00 0.00 C ATOM 0 H LEU A 39 100.705 0.885 10.557 1.00 0.00 H new ATOM 0 HA LEU A 39 103.467 1.862 10.850 1.00 0.00 H new ATOM 0 HB2 LEU A 39 103.016 -0.502 10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 102.167 0.102 8.740 1.00 0.00 H new ATOM 0 HG LEU A 39 104.479 1.381 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 39 106.375 -0.058 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 39 105.526 0.581 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 39 105.268 -1.105 9.890 1.00 0.00 H new ATOM 0 HD21 LEU A 39 105.146 -0.487 6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 39 103.992 -1.551 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 39 103.399 -0.161 6.774 1.00 0.00 H new ATOM 605 N ILE A 40 103.239 3.798 9.344 1.00 0.00 N ATOM 606 CA ILE A 40 103.145 4.958 8.467 1.00 0.00 C ATOM 607 C ILE A 40 104.527 5.521 8.147 1.00 0.00 C ATOM 608 O ILE A 40 105.431 5.483 8.982 1.00 0.00 O ATOM 609 CB ILE A 40 102.278 6.067 9.099 1.00 0.00 C ATOM 610 CG1 ILE A 40 102.081 7.220 8.114 1.00 0.00 C ATOM 611 CG2 ILE A 40 102.911 6.566 10.391 1.00 0.00 C ATOM 612 CD1 ILE A 40 101.129 8.285 8.613 1.00 0.00 C ATOM 0 H ILE A 40 103.965 3.866 10.057 1.00 0.00 H new ATOM 0 HA ILE A 40 102.675 4.622 7.543 1.00 0.00 H new ATOM 0 HB ILE A 40 101.300 5.649 9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 40 103.048 7.678 7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 40 101.706 6.822 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 40 102.287 7.348 10.824 1.00 0.00 H new ATOM 0 HG22 ILE A 40 102.998 5.740 11.096 1.00 0.00 H new ATOM 0 HG23 ILE A 40 103.902 6.968 10.179 1.00 0.00 H new ATOM 0 HD11 ILE A 40 101.037 9.071 7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 40 100.150 7.842 8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 40 101.513 8.711 9.540 1.00 0.00 H new ATOM 624 N ASN A 41 104.684 6.040 6.934 1.00 0.00 N ATOM 625 CA ASN A 41 105.956 6.610 6.504 1.00 0.00 C ATOM 626 C ASN A 41 106.239 7.922 7.228 1.00 0.00 C ATOM 627 O ASN A 41 105.326 8.567 7.743 1.00 0.00 O ATOM 628 CB ASN A 41 105.950 6.839 4.991 1.00 0.00 C ATOM 629 CG ASN A 41 107.348 7.005 4.426 1.00 0.00 C ATOM 630 OD1 ASN A 41 107.645 7.993 3.755 1.00 0.00 O ATOM 631 ND2 ASN A 41 108.215 6.036 4.698 1.00 0.00 N ATOM 0 H ASN A 41 103.946 6.078 6.231 1.00 0.00 H new ATOM 0 HA ASN A 41 106.746 5.902 6.755 1.00 0.00 H new ATOM 0 HB2 ASN A 41 105.460 5.997 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 41 105.361 7.727 4.763 1.00 0.00 H new ATOM 0 HD21 ASN A 41 109.171 6.093 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 41 107.925 5.235 5.259 1.00 0.00 H new ATOM 638 N ASP A 42 107.509 8.311 7.263 1.00 0.00 N ATOM 639 CA ASP A 42 107.911 9.547 7.923 1.00 0.00 C ATOM 640 C ASP A 42 107.319 10.760 7.211 1.00 0.00 C ATOM 641 O ASP A 42 106.853 11.702 7.852 1.00 0.00 O ATOM 642 CB ASP A 42 109.437 9.657 7.957 1.00 0.00 C ATOM 643 CG ASP A 42 110.072 8.598 8.836 1.00 0.00 C ATOM 644 OD1 ASP A 42 109.919 8.681 10.073 1.00 0.00 O ATOM 645 OD2 ASP A 42 110.724 7.684 8.288 1.00 0.00 O ATOM 0 H ASP A 42 108.277 7.788 6.842 1.00 0.00 H new ATOM 0 HA ASP A 42 107.531 9.526 8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 42 109.828 9.567 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 42 109.720 10.645 8.321 1.00 0.00 H new ATOM 650 N ALA A 43 107.342 10.730 5.884 1.00 0.00 N ATOM 651 CA ALA A 43 106.805 11.824 5.085 1.00 0.00 C ATOM 652 C ALA A 43 105.279 11.816 5.100 1.00 0.00 C ATOM 653 O ALA A 43 104.642 12.862 4.978 1.00 0.00 O ATOM 654 CB ALA A 43 107.321 11.737 3.656 1.00 0.00 C ATOM 0 H ALA A 43 107.727 9.959 5.338 1.00 0.00 H new ATOM 0 HA ALA A 43 107.142 12.763 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 43 106.912 12.560 3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 43 108.409 11.799 3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 43 107.012 10.789 3.215 1.00 0.00 H new ATOM 660 N ALA A 44 104.701 10.630 5.253 1.00 0.00 N ATOM 661 CA ALA A 44 103.251 10.485 5.284 1.00 0.00 C ATOM 662 C ALA A 44 102.650 11.221 6.478 1.00 0.00 C ATOM 663 O ALA A 44 101.643 11.919 6.348 1.00 0.00 O ATOM 664 CB ALA A 44 102.869 9.014 5.325 1.00 0.00 C ATOM 0 H ALA A 44 105.215 9.755 5.357 1.00 0.00 H new ATOM 0 HA ALA A 44 102.847 10.930 4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 44 101.783 8.921 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 44 103.258 8.512 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 44 103.292 8.553 6.218 1.00 0.00 H new ATOM 670 N GLN A 45 103.273 11.062 7.642 1.00 0.00 N ATOM 671 CA GLN A 45 102.799 11.711 8.860 1.00 0.00 C ATOM 672 C GLN A 45 102.713 13.222 8.676 1.00 0.00 C ATOM 673 O GLN A 45 101.816 13.873 9.212 1.00 0.00 O ATOM 674 CB GLN A 45 103.725 11.381 10.033 1.00 0.00 C ATOM 675 CG GLN A 45 103.548 9.969 10.568 1.00 0.00 C ATOM 676 CD GLN A 45 104.700 9.532 11.452 1.00 0.00 C ATOM 677 OE1 GLN A 45 105.860 9.834 11.174 1.00 0.00 O ATOM 678 NE2 GLN A 45 104.384 8.818 12.526 1.00 0.00 N ATOM 0 H GLN A 45 104.108 10.489 7.767 1.00 0.00 H new ATOM 0 HA GLN A 45 101.800 11.333 9.076 1.00 0.00 H new ATOM 0 HB2 GLN A 45 104.760 11.514 9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 45 103.544 12.092 10.839 1.00 0.00 H new ATOM 0 HG2 GLN A 45 102.618 9.913 11.135 1.00 0.00 H new ATOM 0 HG3 GLN A 45 103.454 9.277 9.731 1.00 0.00 H new ATOM 0 HE21 GLN A 45 103.408 8.590 12.718 1.00 0.00 H new ATOM 0 HE22 GLN A 45 105.117 8.497 13.159 1.00 0.00 H new ATOM 687 N GLU A 46 103.653 13.776 7.916 1.00 0.00 N ATOM 688 CA GLU A 46 103.682 15.210 7.663 1.00 0.00 C ATOM 689 C GLU A 46 102.425 15.657 6.923 1.00 0.00 C ATOM 690 O GLU A 46 101.950 16.779 7.105 1.00 0.00 O ATOM 691 CB GLU A 46 104.924 15.582 6.852 1.00 0.00 C ATOM 692 CG GLU A 46 106.178 15.738 7.698 1.00 0.00 C ATOM 693 CD GLU A 46 106.734 17.149 7.667 1.00 0.00 C ATOM 694 OE1 GLU A 46 106.872 17.709 6.560 1.00 0.00 O ATOM 695 OE2 GLU A 46 107.032 17.693 8.752 1.00 0.00 O ATOM 0 H GLU A 46 104.404 13.253 7.466 1.00 0.00 H new ATOM 0 HA GLU A 46 103.718 15.722 8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 46 105.098 14.815 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 46 104.735 16.515 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 46 105.952 15.463 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 46 106.940 15.044 7.343 1.00 0.00 H new ATOM 702 N LEU A 47 101.889 14.772 6.088 1.00 0.00 N ATOM 703 CA LEU A 47 100.686 15.076 5.322 1.00 0.00 C ATOM 704 C LEU A 47 99.481 15.228 6.245 1.00 0.00 C ATOM 705 O LEU A 47 98.589 16.038 5.990 1.00 0.00 O ATOM 706 CB LEU A 47 100.421 13.977 4.291 1.00 0.00 C ATOM 707 CG LEU A 47 99.904 14.470 2.938 1.00 0.00 C ATOM 708 CD1 LEU A 47 101.060 14.711 1.980 1.00 0.00 C ATOM 709 CD2 LEU A 47 98.919 13.472 2.347 1.00 0.00 C ATOM 0 H LEU A 47 102.269 13.839 5.925 1.00 0.00 H new ATOM 0 HA LEU A 47 100.844 16.020 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 47 101.345 13.421 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 47 99.696 13.277 4.707 1.00 0.00 H new ATOM 0 HG LEU A 47 99.384 15.415 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 47 100.673 15.061 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 47 101.728 15.464 2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 47 101.609 13.781 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 47 98.562 13.839 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 47 99.414 12.511 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 47 98.074 13.350 3.025 1.00 0.00 H new ATOM 721 N LEU A 48 99.461 14.443 7.318 1.00 0.00 N ATOM 722 CA LEU A 48 98.367 14.493 8.280 1.00 0.00 C ATOM 723 C LEU A 48 98.478 15.732 9.161 1.00 0.00 C ATOM 724 O LEU A 48 97.471 16.313 9.565 1.00 0.00 O ATOM 725 CB LEU A 48 98.365 13.233 9.148 1.00 0.00 C ATOM 726 CG LEU A 48 97.830 11.974 8.464 1.00 0.00 C ATOM 727 CD1 LEU A 48 96.354 12.132 8.132 1.00 0.00 C ATOM 728 CD2 LEU A 48 98.631 11.670 7.208 1.00 0.00 C ATOM 0 H LEU A 48 100.190 13.765 7.542 1.00 0.00 H new ATOM 0 HA LEU A 48 97.429 14.544 7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 48 99.384 13.040 9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 48 97.767 13.425 10.039 1.00 0.00 H new ATOM 0 HG LEU A 48 97.938 11.136 9.152 1.00 0.00 H new ATOM 0 HD11 LEU A 48 95.991 11.226 7.646 1.00 0.00 H new ATOM 0 HD12 LEU A 48 95.791 12.302 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 48 96.221 12.981 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 48 98.237 10.771 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 48 98.555 12.509 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 48 99.677 11.512 7.473 1.00 0.00 H new ATOM 740 N ASN A 49 99.712 16.132 9.455 1.00 0.00 N ATOM 741 CA ASN A 49 99.960 17.303 10.287 1.00 0.00 C ATOM 742 C ASN A 49 99.353 17.126 11.675 1.00 0.00 C ATOM 743 O ASN A 49 98.545 16.224 11.901 1.00 0.00 O ATOM 744 CB ASN A 49 99.388 18.558 9.620 1.00 0.00 C ATOM 745 CG ASN A 49 100.466 19.427 9.004 1.00 0.00 C ATOM 746 OD1 ASN A 49 100.902 20.411 9.601 1.00 0.00 O ATOM 747 ND2 ASN A 49 100.904 19.066 7.803 1.00 0.00 N ATOM 0 H ASN A 49 100.556 15.661 9.129 1.00 0.00 H new ATOM 0 HA ASN A 49 101.038 17.418 10.397 1.00 0.00 H new ATOM 0 HB2 ASN A 49 98.677 18.264 8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 49 98.835 19.139 10.358 1.00 0.00 H new ATOM 0 HD21 ASN A 49 101.630 19.612 7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 49 100.514 18.243 7.344 1.00 0.00 H new ATOM 754 N TYR A 50 99.746 17.996 12.601 1.00 0.00 N ATOM 755 CA TYR A 50 99.242 17.940 13.970 1.00 0.00 C ATOM 756 C TYR A 50 99.656 16.641 14.653 1.00 0.00 C ATOM 757 O TYR A 50 99.441 15.551 14.122 1.00 0.00 O ATOM 758 CB TYR A 50 97.717 18.072 13.981 1.00 0.00 C ATOM 759 CG TYR A 50 97.196 19.164 13.074 1.00 0.00 C ATOM 760 CD1 TYR A 50 97.724 20.449 13.127 1.00 0.00 C ATOM 761 CD2 TYR A 50 96.176 18.911 12.165 1.00 0.00 C ATOM 762 CE1 TYR A 50 97.250 21.449 12.300 1.00 0.00 C ATOM 763 CE2 TYR A 50 95.697 19.906 11.335 1.00 0.00 C ATOM 764 CZ TYR A 50 96.237 21.172 11.406 1.00 0.00 C ATOM 765 OH TYR A 50 95.763 22.166 10.581 1.00 0.00 O ATOM 0 H TYR A 50 100.412 18.749 12.428 1.00 0.00 H new ATOM 0 HA TYR A 50 99.677 18.773 14.523 1.00 0.00 H new ATOM 0 HB2 TYR A 50 97.276 17.121 13.681 1.00 0.00 H new ATOM 0 HB3 TYR A 50 97.385 18.269 15.000 1.00 0.00 H new ATOM 0 HD1 TYR A 50 98.517 20.669 13.826 1.00 0.00 H new ATOM 0 HD2 TYR A 50 95.751 17.920 12.106 1.00 0.00 H new ATOM 0 HE1 TYR A 50 97.670 22.442 12.353 1.00 0.00 H new ATOM 0 HE2 TYR A 50 94.903 19.693 10.634 1.00 0.00 H new ATOM 0 HH TYR A 50 95.051 21.806 10.011 1.00 0.00 H new ATOM 775 N ARG A 51 100.252 16.766 15.835 1.00 0.00 N ATOM 776 CA ARG A 51 100.696 15.603 16.594 1.00 0.00 C ATOM 777 C ARG A 51 101.734 14.804 15.812 1.00 0.00 C ATOM 778 O ARG A 51 102.197 15.235 14.756 1.00 0.00 O ATOM 779 CB ARG A 51 99.505 14.709 16.942 1.00 0.00 C ATOM 780 CG ARG A 51 98.305 15.474 17.476 1.00 0.00 C ATOM 781 CD ARG A 51 98.454 15.779 18.958 1.00 0.00 C ATOM 782 NE ARG A 51 97.868 17.069 19.313 1.00 0.00 N ATOM 783 CZ ARG A 51 97.598 17.442 20.562 1.00 0.00 C ATOM 784 NH1 ARG A 51 97.860 16.628 21.576 1.00 0.00 N ATOM 785 NH2 ARG A 51 97.065 18.633 20.797 1.00 0.00 N ATOM 0 H ARG A 51 100.438 17.661 16.287 1.00 0.00 H new ATOM 0 HA ARG A 51 101.157 15.958 17.516 1.00 0.00 H new ATOM 0 HB2 ARG A 51 99.205 14.155 16.053 1.00 0.00 H new ATOM 0 HB3 ARG A 51 99.817 13.975 17.685 1.00 0.00 H new ATOM 0 HG2 ARG A 51 98.190 16.405 16.921 1.00 0.00 H new ATOM 0 HG3 ARG A 51 97.398 14.891 17.313 1.00 0.00 H new ATOM 0 HD2 ARG A 51 97.976 14.991 19.540 1.00 0.00 H new ATOM 0 HD3 ARG A 51 99.511 15.775 19.224 1.00 0.00 H new ATOM 0 HE ARG A 51 97.653 17.722 18.560 1.00 0.00 H new ATOM 0 HH11 ARG A 51 98.271 15.711 21.401 1.00 0.00 H new ATOM 0 HH12 ARG A 51 97.651 16.919 22.531 1.00 0.00 H new ATOM 0 HH21 ARG A 51 96.862 19.263 20.021 1.00 0.00 H new ATOM 0 HH22 ARG A 51 96.858 18.919 21.754 1.00 0.00 H new ATOM 799 N LYS A 52 102.094 13.637 16.338 1.00 0.00 N ATOM 800 CA LYS A 52 103.076 12.777 15.690 1.00 0.00 C ATOM 801 C LYS A 52 102.732 11.305 15.900 1.00 0.00 C ATOM 802 O LYS A 52 102.424 10.587 14.948 1.00 0.00 O ATOM 803 CB LYS A 52 104.478 13.071 16.233 1.00 0.00 C ATOM 804 CG LYS A 52 105.523 13.261 15.147 1.00 0.00 C ATOM 805 CD LYS A 52 105.581 12.064 14.210 1.00 0.00 C ATOM 806 CE LYS A 52 107.016 11.647 13.922 1.00 0.00 C ATOM 807 NZ LYS A 52 107.383 10.394 14.637 1.00 0.00 N ATOM 0 H LYS A 52 101.720 13.266 17.211 1.00 0.00 H new ATOM 0 HA LYS A 52 103.058 12.985 14.620 1.00 0.00 H new ATOM 0 HB2 LYS A 52 104.439 13.969 16.849 1.00 0.00 H new ATOM 0 HB3 LYS A 52 104.786 12.252 16.883 1.00 0.00 H new ATOM 0 HG2 LYS A 52 105.295 14.161 14.575 1.00 0.00 H new ATOM 0 HG3 LYS A 52 106.501 13.413 15.605 1.00 0.00 H new ATOM 0 HD2 LYS A 52 105.040 11.228 14.653 1.00 0.00 H new ATOM 0 HD3 LYS A 52 105.078 12.309 13.275 1.00 0.00 H new ATOM 0 HE2 LYS A 52 107.144 11.504 12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 52 107.694 12.447 14.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 108.368 10.143 14.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 107.285 10.538 15.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 106.753 9.624 14.334 1.00 0.00 H new ATOM 821 N SER A 53 102.786 10.863 17.151 1.00 0.00 N ATOM 822 CA SER A 53 102.481 9.477 17.488 1.00 0.00 C ATOM 823 C SER A 53 100.986 9.201 17.356 1.00 0.00 C ATOM 824 O SER A 53 100.577 8.086 17.033 1.00 0.00 O ATOM 825 CB SER A 53 102.945 9.161 18.910 1.00 0.00 C ATOM 826 OG SER A 53 104.318 8.811 18.933 1.00 0.00 O ATOM 0 H SER A 53 103.038 11.445 17.950 1.00 0.00 H new ATOM 0 HA SER A 53 103.015 8.834 16.788 1.00 0.00 H new ATOM 0 HB2 SER A 53 102.776 10.026 19.551 1.00 0.00 H new ATOM 0 HB3 SER A 53 102.351 8.342 19.316 1.00 0.00 H new ATOM 0 HG SER A 53 104.590 8.615 19.854 1.00 0.00 H new ATOM 832 N GLN A 54 100.175 10.225 17.605 1.00 0.00 N ATOM 833 CA GLN A 54 98.726 10.092 17.514 1.00 0.00 C ATOM 834 C GLN A 54 98.296 9.782 16.084 1.00 0.00 C ATOM 835 O GLN A 54 97.292 9.104 15.860 1.00 0.00 O ATOM 836 CB GLN A 54 98.044 11.374 17.997 1.00 0.00 C ATOM 837 CG GLN A 54 96.573 11.190 18.337 1.00 0.00 C ATOM 838 CD GLN A 54 96.297 11.321 19.822 1.00 0.00 C ATOM 839 OE1 GLN A 54 95.840 10.377 20.467 1.00 0.00 O ATOM 840 NE2 GLN A 54 96.573 12.497 20.374 1.00 0.00 N ATOM 0 H GLN A 54 100.497 11.155 17.871 1.00 0.00 H new ATOM 0 HA GLN A 54 98.422 9.263 18.153 1.00 0.00 H new ATOM 0 HB2 GLN A 54 98.568 11.745 18.878 1.00 0.00 H new ATOM 0 HB3 GLN A 54 98.137 12.138 17.225 1.00 0.00 H new ATOM 0 HG2 GLN A 54 95.983 11.929 17.795 1.00 0.00 H new ATOM 0 HG3 GLN A 54 96.245 10.208 17.995 1.00 0.00 H new ATOM 0 HE21 GLN A 54 96.951 13.253 19.802 1.00 0.00 H new ATOM 0 HE22 GLN A 54 96.407 12.645 21.370 1.00 0.00 H new ATOM 849 N ASP A 55 99.062 10.280 15.118 1.00 0.00 N ATOM 850 CA ASP A 55 98.759 10.056 13.710 1.00 0.00 C ATOM 851 C ASP A 55 98.764 8.565 13.383 1.00 0.00 C ATOM 852 O ASP A 55 98.007 8.105 12.527 1.00 0.00 O ATOM 853 CB ASP A 55 99.771 10.787 12.827 1.00 0.00 C ATOM 854 CG ASP A 55 99.334 12.201 12.497 1.00 0.00 C ATOM 855 OD1 ASP A 55 98.125 12.493 12.621 1.00 0.00 O ATOM 856 OD2 ASP A 55 100.199 13.017 12.116 1.00 0.00 O ATOM 0 H ASP A 55 99.897 10.841 15.285 1.00 0.00 H new ATOM 0 HA ASP A 55 97.762 10.450 13.511 1.00 0.00 H new ATOM 0 HB2 ASP A 55 100.736 10.816 13.333 1.00 0.00 H new ATOM 0 HB3 ASP A 55 99.913 10.228 11.902 1.00 0.00 H new ATOM 861 N ASP A 56 99.620 7.817 14.069 1.00 0.00 N ATOM 862 CA ASP A 56 99.722 6.377 13.851 1.00 0.00 C ATOM 863 C ASP A 56 98.394 5.688 14.144 1.00 0.00 C ATOM 864 O ASP A 56 97.695 5.251 13.230 1.00 0.00 O ATOM 865 CB ASP A 56 100.823 5.783 14.732 1.00 0.00 C ATOM 866 CG ASP A 56 102.196 5.903 14.100 1.00 0.00 C ATOM 867 OD1 ASP A 56 102.454 5.199 13.101 1.00 0.00 O ATOM 868 OD2 ASP A 56 103.015 6.700 14.605 1.00 0.00 O ATOM 0 H ASP A 56 100.253 8.182 14.780 1.00 0.00 H new ATOM 0 HA ASP A 56 99.975 6.210 12.804 1.00 0.00 H new ATOM 0 HB2 ASP A 56 100.825 6.289 15.697 1.00 0.00 H new ATOM 0 HB3 ASP A 56 100.604 4.732 14.923 1.00 0.00 H new ATOM 873 N GLU A 57 98.050 5.594 15.425 1.00 0.00 N ATOM 874 CA GLU A 57 96.805 4.959 15.839 1.00 0.00 C ATOM 875 C GLU A 57 95.749 6.006 16.179 1.00 0.00 C ATOM 876 O GLU A 57 95.597 6.396 17.336 1.00 0.00 O ATOM 877 CB GLU A 57 97.048 4.052 17.048 1.00 0.00 C ATOM 878 CG GLU A 57 97.649 2.704 16.687 1.00 0.00 C ATOM 879 CD GLU A 57 97.810 1.797 17.891 1.00 0.00 C ATOM 880 OE1 GLU A 57 98.435 2.230 18.882 1.00 0.00 O ATOM 881 OE2 GLU A 57 97.314 0.652 17.842 1.00 0.00 O ATOM 0 H GLU A 57 98.617 5.950 16.194 1.00 0.00 H new ATOM 0 HA GLU A 57 96.439 4.355 15.008 1.00 0.00 H new ATOM 0 HB2 GLU A 57 97.713 4.561 17.746 1.00 0.00 H new ATOM 0 HB3 GLU A 57 96.103 3.892 17.567 1.00 0.00 H new ATOM 0 HG2 GLU A 57 97.014 2.213 15.949 1.00 0.00 H new ATOM 0 HG3 GLU A 57 98.622 2.857 16.219 1.00 0.00 H new ATOM 888 N LYS A 58 95.021 6.459 15.162 1.00 0.00 N ATOM 889 CA LYS A 58 93.981 7.462 15.357 1.00 0.00 C ATOM 890 C LYS A 58 92.638 6.801 15.655 1.00 0.00 C ATOM 891 O LYS A 58 92.227 6.709 16.813 1.00 0.00 O ATOM 892 CB LYS A 58 93.869 8.357 14.119 1.00 0.00 C ATOM 893 CG LYS A 58 94.346 9.782 14.356 1.00 0.00 C ATOM 894 CD LYS A 58 94.672 10.488 13.049 1.00 0.00 C ATOM 895 CE LYS A 58 93.805 11.720 12.846 1.00 0.00 C ATOM 896 NZ LYS A 58 92.698 11.469 11.882 1.00 0.00 N ATOM 0 H LYS A 58 95.132 6.148 14.197 1.00 0.00 H new ATOM 0 HA LYS A 58 94.256 8.078 16.213 1.00 0.00 H new ATOM 0 HB2 LYS A 58 94.451 7.917 13.309 1.00 0.00 H new ATOM 0 HB3 LYS A 58 92.830 8.380 13.790 1.00 0.00 H new ATOM 0 HG2 LYS A 58 93.576 10.340 14.889 1.00 0.00 H new ATOM 0 HG3 LYS A 58 95.230 9.769 14.994 1.00 0.00 H new ATOM 0 HD2 LYS A 58 95.723 10.777 13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 58 94.527 9.799 12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 58 93.388 12.032 13.804 1.00 0.00 H new ATOM 0 HE3 LYS A 58 94.422 12.542 12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 92.131 12.334 11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 93.095 11.196 10.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 92.094 10.702 12.239 1.00 0.00 H new ATOM 910 N LEU A 59 91.958 6.341 14.608 1.00 0.00 N ATOM 911 CA LEU A 59 90.661 5.691 14.768 1.00 0.00 C ATOM 912 C LEU A 59 90.127 5.194 13.427 1.00 0.00 C ATOM 913 O LEU A 59 88.921 5.214 13.187 1.00 0.00 O ATOM 914 CB LEU A 59 89.661 6.658 15.408 1.00 0.00 C ATOM 915 CG LEU A 59 89.061 6.186 16.733 1.00 0.00 C ATOM 916 CD1 LEU A 59 88.179 7.268 17.335 1.00 0.00 C ATOM 917 CD2 LEU A 59 88.270 4.901 16.532 1.00 0.00 C ATOM 0 H LEU A 59 92.282 6.406 13.643 1.00 0.00 H new ATOM 0 HA LEU A 59 90.792 4.829 15.422 1.00 0.00 H new ATOM 0 HB2 LEU A 59 90.158 7.614 15.572 1.00 0.00 H new ATOM 0 HB3 LEU A 59 88.850 6.837 14.703 1.00 0.00 H new ATOM 0 HG LEU A 59 89.876 5.983 17.427 1.00 0.00 H new ATOM 0 HD11 LEU A 59 87.761 6.914 18.277 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.774 8.164 17.515 1.00 0.00 H new ATOM 0 HD13 LEU A 59 87.369 7.503 16.644 1.00 0.00 H new ATOM 0 HD21 LEU A 59 87.850 4.579 17.485 1.00 0.00 H new ATOM 0 HD22 LEU A 59 87.463 5.078 15.821 1.00 0.00 H new ATOM 0 HD23 LEU A 59 88.930 4.124 16.146 1.00 0.00 H new ATOM 929 N SER A 60 91.034 4.746 12.561 1.00 0.00 N ATOM 930 CA SER A 60 90.662 4.242 11.241 1.00 0.00 C ATOM 931 C SER A 60 89.795 5.251 10.483 1.00 0.00 C ATOM 932 O SER A 60 90.304 6.056 9.706 1.00 0.00 O ATOM 933 CB SER A 60 89.936 2.899 11.366 1.00 0.00 C ATOM 934 OG SER A 60 88.710 3.040 12.064 1.00 0.00 O ATOM 0 H SER A 60 92.036 4.722 12.751 1.00 0.00 H new ATOM 0 HA SER A 60 91.578 4.094 10.670 1.00 0.00 H new ATOM 0 HB2 SER A 60 89.747 2.491 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 60 90.574 2.185 11.887 1.00 0.00 H new ATOM 0 HG SER A 60 88.820 3.688 12.791 1.00 0.00 H new ATOM 940 N THR A 61 88.485 5.203 10.715 1.00 0.00 N ATOM 941 CA THR A 61 87.557 6.113 10.054 1.00 0.00 C ATOM 942 C THR A 61 86.321 6.349 10.916 1.00 0.00 C ATOM 943 O THR A 61 85.306 5.671 10.760 1.00 0.00 O ATOM 944 CB THR A 61 87.116 5.572 8.683 1.00 0.00 C ATOM 945 OG1 THR A 61 86.867 4.163 8.769 1.00 0.00 O ATOM 946 CG2 THR A 61 88.179 5.838 7.628 1.00 0.00 C ATOM 0 H THR A 61 88.044 4.543 11.356 1.00 0.00 H new ATOM 0 HA THR A 61 88.085 7.055 9.908 1.00 0.00 H new ATOM 0 HB THR A 61 86.200 6.087 8.392 1.00 0.00 H new ATOM 0 HG1 THR A 61 85.942 3.978 8.505 1.00 0.00 H new ATOM 0 HG21 THR A 61 87.844 5.446 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 61 88.347 6.912 7.544 1.00 0.00 H new ATOM 0 HG23 THR A 61 89.108 5.347 7.916 1.00 0.00 H new ATOM 954 N LEU A 62 86.414 7.313 11.826 1.00 0.00 N ATOM 955 CA LEU A 62 85.304 7.632 12.715 1.00 0.00 C ATOM 956 C LEU A 62 84.932 6.425 13.570 1.00 0.00 C ATOM 957 O LEU A 62 85.546 5.364 13.461 1.00 0.00 O ATOM 958 CB LEU A 62 84.090 8.093 11.906 1.00 0.00 C ATOM 959 CG LEU A 62 84.313 9.344 11.055 1.00 0.00 C ATOM 960 CD1 LEU A 62 83.109 9.603 10.163 1.00 0.00 C ATOM 961 CD2 LEU A 62 84.590 10.548 11.942 1.00 0.00 C ATOM 0 H LEU A 62 87.246 7.886 11.967 1.00 0.00 H new ATOM 0 HA LEU A 62 85.619 8.441 13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 62 83.779 7.279 11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 83.266 8.283 12.594 1.00 0.00 H new ATOM 0 HG LEU A 62 85.182 9.178 10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 62 83.285 10.497 9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 62 82.955 8.749 9.503 1.00 0.00 H new ATOM 0 HD13 LEU A 62 82.223 9.749 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 62 84.746 11.430 11.320 1.00 0.00 H new ATOM 0 HD22 LEU A 62 83.740 10.716 12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 62 85.483 10.362 12.539 1.00 0.00 H new ATOM 973 N SER A 63 83.926 6.594 14.420 1.00 0.00 N ATOM 974 CA SER A 63 83.475 5.514 15.290 1.00 0.00 C ATOM 975 C SER A 63 82.509 4.591 14.554 1.00 0.00 C ATOM 976 O SER A 63 81.295 4.672 14.737 1.00 0.00 O ATOM 977 CB SER A 63 82.800 6.085 16.539 1.00 0.00 C ATOM 978 OG SER A 63 82.267 5.050 17.349 1.00 0.00 O ATOM 0 H SER A 63 83.408 7.466 14.525 1.00 0.00 H new ATOM 0 HA SER A 63 84.348 4.934 15.590 1.00 0.00 H new ATOM 0 HB2 SER A 63 83.522 6.665 17.113 1.00 0.00 H new ATOM 0 HB3 SER A 63 82.003 6.768 16.245 1.00 0.00 H new ATOM 0 HG SER A 63 81.843 5.440 18.141 1.00 0.00 H new ATOM 984 N HIS A 64 83.059 3.716 13.718 1.00 0.00 N ATOM 985 CA HIS A 64 82.247 2.778 12.952 1.00 0.00 C ATOM 986 C HIS A 64 81.564 1.771 13.871 1.00 0.00 C ATOM 987 O HIS A 64 82.213 1.124 14.693 1.00 0.00 O ATOM 988 CB HIS A 64 83.110 2.045 11.925 1.00 0.00 C ATOM 989 CG HIS A 64 83.168 2.729 10.595 1.00 0.00 C ATOM 990 ND1 HIS A 64 82.262 3.510 9.959 1.00 0.00 N flip ATOM 991 CD2 HIS A 64 84.259 2.650 9.753 1.00 0.00 C flip ATOM 992 CE1 HIS A 64 82.816 3.883 8.760 1.00 0.00 C flip ATOM 993 NE2 HIS A 64 84.020 3.352 8.660 1.00 0.00 N flip ATOM 0 H HIS A 64 84.063 3.637 13.554 1.00 0.00 H new ATOM 0 HA HIS A 64 81.477 3.346 12.430 1.00 0.00 H new ATOM 0 HB2 HIS A 64 84.122 1.946 12.318 1.00 0.00 H new ATOM 0 HB3 HIS A 64 82.720 1.036 11.789 1.00 0.00 H new ATOM 0 HD1 HIS A 64 81.340 3.772 10.307 1.00 0.00 H new ATOM 0 HD2 HIS A 64 85.166 2.100 9.956 1.00 0.00 H new ATOM 0 HE1 HIS A 64 82.343 4.510 8.018 1.00 0.00 H new ATOM 1001 N SER A 65 80.249 1.642 13.727 1.00 0.00 N ATOM 1002 CA SER A 65 79.476 0.714 14.543 1.00 0.00 C ATOM 1003 C SER A 65 78.857 -0.383 13.683 1.00 0.00 C ATOM 1004 O SER A 65 79.057 -0.420 12.468 1.00 0.00 O ATOM 1005 CB SER A 65 78.376 1.463 15.301 1.00 0.00 C ATOM 1006 OG SER A 65 77.737 0.617 16.241 1.00 0.00 O ATOM 0 H SER A 65 79.696 2.170 13.051 1.00 0.00 H new ATOM 0 HA SER A 65 80.153 0.250 15.260 1.00 0.00 H new ATOM 0 HB2 SER A 65 78.805 2.323 15.814 1.00 0.00 H new ATOM 0 HB3 SER A 65 77.640 1.848 14.594 1.00 0.00 H new ATOM 0 HG SER A 65 77.040 1.119 16.713 1.00 0.00 H new ATOM 1012 N TRP A 66 78.107 -1.276 14.320 1.00 0.00 N ATOM 1013 CA TRP A 66 77.459 -2.375 13.614 1.00 0.00 C ATOM 1014 C TRP A 66 76.201 -1.893 12.896 1.00 0.00 C ATOM 1015 O TRP A 66 75.082 -2.178 13.325 1.00 0.00 O ATOM 1016 CB TRP A 66 77.107 -3.498 14.591 1.00 0.00 C ATOM 1017 CG TRP A 66 76.920 -4.828 13.926 1.00 0.00 C ATOM 1018 CD1 TRP A 66 76.328 -5.064 12.720 1.00 0.00 C ATOM 1019 CD2 TRP A 66 77.326 -6.104 14.432 1.00 0.00 C ATOM 1020 NE1 TRP A 66 76.340 -6.411 12.444 1.00 0.00 N ATOM 1021 CE2 TRP A 66 76.948 -7.071 13.480 1.00 0.00 C ATOM 1022 CE3 TRP A 66 77.974 -6.525 15.598 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 77.198 -8.429 13.658 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 78.220 -7.873 15.773 1.00 0.00 C ATOM 1025 CH2 TRP A 66 77.833 -8.811 14.808 1.00 0.00 C ATOM 0 H TRP A 66 77.933 -1.260 15.325 1.00 0.00 H new ATOM 0 HA TRP A 66 78.156 -2.758 12.868 1.00 0.00 H new ATOM 0 HB2 TRP A 66 77.897 -3.581 15.337 1.00 0.00 H new ATOM 0 HB3 TRP A 66 76.193 -3.234 15.122 1.00 0.00 H new ATOM 0 HD1 TRP A 66 75.911 -4.304 12.076 1.00 0.00 H new ATOM 0 HE1 TRP A 66 75.959 -6.848 11.605 1.00 0.00 H new ATOM 0 HE3 TRP A 66 78.277 -5.809 16.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 76.901 -9.155 12.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 78.719 -8.209 16.670 1.00 0.00 H new ATOM 0 HH2 TRP A 66 78.040 -9.858 14.975 1.00 0.00 H new ATOM 1036 N SER A 67 76.393 -1.161 11.803 1.00 0.00 N ATOM 1037 CA SER A 67 75.274 -0.640 11.027 1.00 0.00 C ATOM 1038 C SER A 67 75.251 -1.249 9.628 1.00 0.00 C ATOM 1039 O SER A 67 74.311 -1.955 9.263 1.00 0.00 O ATOM 1040 CB SER A 67 75.363 0.885 10.930 1.00 0.00 C ATOM 1041 OG SER A 67 74.801 1.501 12.077 1.00 0.00 O ATOM 0 H SER A 67 77.312 -0.916 11.435 1.00 0.00 H new ATOM 0 HA SER A 67 74.350 -0.913 11.537 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.405 1.186 10.825 1.00 0.00 H new ATOM 0 HB3 SER A 67 74.841 1.227 10.036 1.00 0.00 H new ATOM 0 HG SER A 67 74.871 2.475 11.993 1.00 0.00 H new ATOM 1047 N GLN A 68 76.291 -0.970 8.849 1.00 0.00 N ATOM 1048 CA GLN A 68 76.390 -1.489 7.490 1.00 0.00 C ATOM 1049 C GLN A 68 77.848 -1.673 7.082 1.00 0.00 C ATOM 1050 O GLN A 68 78.226 -1.389 5.945 1.00 0.00 O ATOM 1051 CB GLN A 68 75.685 -0.547 6.511 1.00 0.00 C ATOM 1052 CG GLN A 68 74.212 -0.864 6.317 1.00 0.00 C ATOM 1053 CD GLN A 68 73.988 -2.151 5.547 1.00 0.00 C ATOM 1054 OE1 GLN A 68 74.803 -3.071 5.604 1.00 0.00 O ATOM 1055 NE2 GLN A 68 72.878 -2.220 4.820 1.00 0.00 N ATOM 0 H GLN A 68 77.077 -0.387 9.136 1.00 0.00 H new ATOM 0 HA GLN A 68 75.901 -2.463 7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 68 75.783 0.477 6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 68 76.189 -0.596 5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 68 73.729 -0.939 7.291 1.00 0.00 H new ATOM 0 HG3 GLN A 68 73.734 -0.040 5.787 1.00 0.00 H new ATOM 0 HE21 GLN A 68 72.230 -1.432 4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 68 72.674 -3.061 4.280 1.00 0.00 H new ATOM 1064 N VAL A 69 78.663 -2.151 8.016 1.00 0.00 N ATOM 1065 CA VAL A 69 80.081 -2.374 7.754 1.00 0.00 C ATOM 1066 C VAL A 69 80.278 -3.346 6.595 1.00 0.00 C ATOM 1067 O VAL A 69 81.137 -3.140 5.738 1.00 0.00 O ATOM 1068 CB VAL A 69 80.806 -2.923 8.998 1.00 0.00 C ATOM 1069 CG1 VAL A 69 82.312 -2.891 8.795 1.00 0.00 C ATOM 1070 CG2 VAL A 69 80.411 -2.138 10.239 1.00 0.00 C ATOM 0 H VAL A 69 78.366 -2.392 8.962 1.00 0.00 H new ATOM 0 HA VAL A 69 80.509 -1.406 7.493 1.00 0.00 H new ATOM 0 HB VAL A 69 80.504 -3.960 9.143 1.00 0.00 H new ATOM 0 HG11 VAL A 69 82.807 -3.282 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 69 82.576 -3.504 7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 69 82.634 -1.864 8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 69 80.934 -2.541 11.106 1.00 0.00 H new ATOM 0 HG22 VAL A 69 80.681 -1.090 10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 69 79.335 -2.219 10.394 1.00 0.00 H new ATOM 1080 N VAL A 70 79.475 -4.405 6.576 1.00 0.00 N ATOM 1081 CA VAL A 70 79.560 -5.409 5.523 1.00 0.00 C ATOM 1082 C VAL A 70 79.248 -4.802 4.159 1.00 0.00 C ATOM 1083 O VAL A 70 79.775 -5.243 3.137 1.00 0.00 O ATOM 1084 CB VAL A 70 78.594 -6.580 5.784 1.00 0.00 C ATOM 1085 CG1 VAL A 70 78.996 -7.335 7.042 1.00 0.00 C ATOM 1086 CG2 VAL A 70 77.162 -6.077 5.891 1.00 0.00 C ATOM 0 H VAL A 70 78.758 -4.590 7.278 1.00 0.00 H new ATOM 0 HA VAL A 70 80.583 -5.785 5.526 1.00 0.00 H new ATOM 0 HB VAL A 70 78.652 -7.269 4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 70 78.302 -8.158 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 70 80.005 -7.730 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 70 78.970 -6.659 7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 70 76.494 -6.918 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 70 77.087 -5.366 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 70 76.878 -5.586 4.960 1.00 0.00 H new ATOM 1096 N ASP A 71 78.389 -3.788 4.150 1.00 0.00 N ATOM 1097 CA ASP A 71 78.005 -3.120 2.912 1.00 0.00 C ATOM 1098 C ASP A 71 79.199 -2.412 2.280 1.00 0.00 C ATOM 1099 O ASP A 71 79.360 -2.413 1.059 1.00 0.00 O ATOM 1100 CB ASP A 71 76.884 -2.115 3.177 1.00 0.00 C ATOM 1101 CG ASP A 71 75.975 -1.932 1.976 1.00 0.00 C ATOM 1102 OD1 ASP A 71 76.496 -1.658 0.875 1.00 0.00 O ATOM 1103 OD2 ASP A 71 74.744 -2.061 2.138 1.00 0.00 O ATOM 0 H ASP A 71 77.945 -3.411 4.987 1.00 0.00 H new ATOM 0 HA ASP A 71 77.647 -3.879 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 71 76.293 -2.451 4.029 1.00 0.00 H new ATOM 0 HB3 ASP A 71 77.319 -1.153 3.450 1.00 0.00 H new ATOM 1108 N VAL A 72 80.036 -1.809 3.119 1.00 0.00 N ATOM 1109 CA VAL A 72 81.215 -1.095 2.642 1.00 0.00 C ATOM 1110 C VAL A 72 82.346 -2.061 2.308 1.00 0.00 C ATOM 1111 O VAL A 72 83.092 -1.852 1.350 1.00 0.00 O ATOM 1112 CB VAL A 72 81.716 -0.078 3.684 1.00 0.00 C ATOM 1113 CG1 VAL A 72 82.784 0.823 3.081 1.00 0.00 C ATOM 1114 CG2 VAL A 72 80.558 0.746 4.227 1.00 0.00 C ATOM 0 H VAL A 72 79.919 -1.801 4.132 1.00 0.00 H new ATOM 0 HA VAL A 72 80.917 -0.562 1.739 1.00 0.00 H new ATOM 0 HB VAL A 72 82.162 -0.626 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 72 83.126 1.535 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 72 83.625 0.216 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 72 82.367 1.364 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 72 80.932 1.459 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 72 80.080 1.285 3.409 1.00 0.00 H new ATOM 0 HG23 VAL A 72 79.831 0.085 4.700 1.00 0.00 H new ATOM 1124 N SER A 73 82.471 -3.118 3.104 1.00 0.00 N ATOM 1125 CA SER A 73 83.513 -4.116 2.893 1.00 0.00 C ATOM 1126 C SER A 73 83.398 -4.744 1.507 1.00 0.00 C ATOM 1127 O SER A 73 84.400 -5.138 0.909 1.00 0.00 O ATOM 1128 CB SER A 73 83.432 -5.202 3.970 1.00 0.00 C ATOM 1129 OG SER A 73 84.665 -5.332 4.657 1.00 0.00 O ATOM 0 H SER A 73 81.863 -3.305 3.901 1.00 0.00 H new ATOM 0 HA SER A 73 84.479 -3.616 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 73 82.641 -4.957 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 73 83.165 -6.154 3.511 1.00 0.00 H new ATOM 0 HG SER A 73 84.587 -6.030 5.340 1.00 0.00 H new ATOM 1135 N GLU A 74 82.172 -4.833 1.003 1.00 0.00 N ATOM 1136 CA GLU A 74 81.927 -5.413 -0.312 1.00 0.00 C ATOM 1137 C GLU A 74 82.638 -4.618 -1.402 1.00 0.00 C ATOM 1138 O GLU A 74 83.386 -5.177 -2.205 1.00 0.00 O ATOM 1139 CB GLU A 74 80.424 -5.461 -0.598 1.00 0.00 C ATOM 1140 CG GLU A 74 79.717 -6.634 0.059 1.00 0.00 C ATOM 1141 CD GLU A 74 78.252 -6.354 0.327 1.00 0.00 C ATOM 1142 OE1 GLU A 74 77.589 -5.765 -0.553 1.00 0.00 O ATOM 1143 OE2 GLU A 74 77.765 -6.724 1.417 1.00 0.00 O ATOM 0 H GLU A 74 81.333 -4.511 1.485 1.00 0.00 H new ATOM 0 HA GLU A 74 82.324 -6.428 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 74 79.967 -4.533 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 74 80.269 -5.512 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 74 79.804 -7.511 -0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 74 80.215 -6.874 0.998 1.00 0.00 H new ATOM 1150 N VAL A 75 82.400 -3.310 -1.426 1.00 0.00 N ATOM 1151 CA VAL A 75 83.017 -2.437 -2.417 1.00 0.00 C ATOM 1152 C VAL A 75 84.539 -2.520 -2.352 1.00 0.00 C ATOM 1153 O VAL A 75 85.217 -2.502 -3.380 1.00 0.00 O ATOM 1154 CB VAL A 75 82.580 -0.972 -2.226 1.00 0.00 C ATOM 1155 CG1 VAL A 75 83.187 -0.084 -3.302 1.00 0.00 C ATOM 1156 CG2 VAL A 75 81.064 -0.864 -2.230 1.00 0.00 C ATOM 0 H VAL A 75 81.783 -2.832 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 75 82.681 -2.781 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 75 82.945 -0.628 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 75 82.865 0.946 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 75 84.274 -0.137 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 75 82.857 -0.424 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 75 80.773 0.178 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 75 80.676 -1.228 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 75 80.654 -1.464 -1.418 1.00 0.00 H new ATOM 1166 N LEU A 76 85.072 -2.611 -1.138 1.00 0.00 N ATOM 1167 CA LEU A 76 86.514 -2.696 -0.940 1.00 0.00 C ATOM 1168 C LEU A 76 87.031 -4.084 -1.297 1.00 0.00 C ATOM 1169 O LEU A 76 88.168 -4.238 -1.743 1.00 0.00 O ATOM 1170 CB LEU A 76 86.870 -2.365 0.511 1.00 0.00 C ATOM 1171 CG LEU A 76 88.369 -2.379 0.828 1.00 0.00 C ATOM 1172 CD1 LEU A 76 88.842 -0.996 1.251 1.00 0.00 C ATOM 1173 CD2 LEU A 76 88.679 -3.402 1.911 1.00 0.00 C ATOM 0 H LEU A 76 84.527 -2.628 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 76 86.990 -1.970 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 76 86.472 -1.379 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 76 86.369 -3.079 1.164 1.00 0.00 H new ATOM 0 HG LEU A 76 88.905 -2.663 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 76 89.909 -1.028 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 76 88.659 -0.286 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 76 88.297 -0.681 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.748 -3.396 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 76 88.129 -3.150 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.382 -4.394 1.571 1.00 0.00 H new ATOM 1185 N ARG A 77 86.190 -5.094 -1.099 1.00 0.00 N ATOM 1186 CA ARG A 77 86.564 -6.471 -1.401 1.00 0.00 C ATOM 1187 C ARG A 77 86.689 -6.681 -2.906 1.00 0.00 C ATOM 1188 O ARG A 77 87.763 -7.011 -3.410 1.00 0.00 O ATOM 1189 CB ARG A 77 85.533 -7.441 -0.821 1.00 0.00 C ATOM 1190 CG ARG A 77 85.892 -7.949 0.568 1.00 0.00 C ATOM 1191 CD ARG A 77 85.697 -9.453 0.682 1.00 0.00 C ATOM 1192 NE ARG A 77 86.589 -10.189 -0.210 1.00 0.00 N ATOM 1193 CZ ARG A 77 86.491 -11.496 -0.440 1.00 0.00 C ATOM 1194 NH1 ARG A 77 85.544 -12.213 0.152 1.00 0.00 N ATOM 1195 NH2 ARG A 77 87.344 -12.089 -1.266 1.00 0.00 N ATOM 0 H ARG A 77 85.245 -4.985 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 77 87.533 -6.668 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 77 84.563 -6.945 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 77 85.427 -8.292 -1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 77 86.929 -7.698 0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 77 85.275 -7.444 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 77 85.875 -9.765 1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 77 84.662 -9.703 0.448 1.00 0.00 H new ATOM 0 HE ARG A 77 87.329 -9.672 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 77 84.886 -11.763 0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 77 85.475 -13.214 -0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 77 88.074 -11.543 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 77 87.270 -13.091 -1.443 1.00 0.00 H new ATOM 1209 N ASP A 78 85.585 -6.487 -3.621 1.00 0.00 N ATOM 1210 CA ASP A 78 85.574 -6.655 -5.069 1.00 0.00 C ATOM 1211 C ASP A 78 86.568 -5.708 -5.734 1.00 0.00 C ATOM 1212 O ASP A 78 87.150 -6.029 -6.770 1.00 0.00 O ATOM 1213 CB ASP A 78 84.169 -6.408 -5.622 1.00 0.00 C ATOM 1214 CG ASP A 78 83.554 -5.129 -5.089 1.00 0.00 C ATOM 1215 OD1 ASP A 78 84.194 -4.064 -5.215 1.00 0.00 O ATOM 1216 OD2 ASP A 78 82.430 -5.193 -4.547 1.00 0.00 O ATOM 0 H ASP A 78 84.687 -6.214 -3.221 1.00 0.00 H new ATOM 0 HA ASP A 78 85.870 -7.680 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 78 84.213 -6.361 -6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 78 83.527 -7.251 -5.365 1.00 0.00 H new ATOM 1221 N GLY A 79 86.757 -4.539 -5.130 1.00 0.00 N ATOM 1222 CA GLY A 79 87.682 -3.563 -5.675 1.00 0.00 C ATOM 1223 C GLY A 79 87.016 -2.608 -6.645 1.00 0.00 C ATOM 1224 O GLY A 79 87.600 -2.240 -7.664 1.00 0.00 O ATOM 0 H GLY A 79 86.286 -4.250 -4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 79 88.127 -2.994 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 79 88.495 -4.082 -6.182 1.00 0.00 H new ATOM 1228 N THR A 80 85.789 -2.205 -6.328 1.00 0.00 N ATOM 1229 CA THR A 80 85.044 -1.285 -7.180 1.00 0.00 C ATOM 1230 C THR A 80 85.121 0.143 -6.639 1.00 0.00 C ATOM 1231 O THR A 80 84.390 0.502 -5.717 1.00 0.00 O ATOM 1232 CB THR A 80 83.566 -1.698 -7.294 1.00 0.00 C ATOM 1233 OG1 THR A 80 83.460 -3.124 -7.394 1.00 0.00 O ATOM 1234 CG2 THR A 80 82.916 -1.052 -8.508 1.00 0.00 C ATOM 0 H THR A 80 85.291 -2.501 -5.489 1.00 0.00 H new ATOM 0 HA THR A 80 85.501 -1.325 -8.169 1.00 0.00 H new ATOM 0 HB THR A 80 83.048 -1.357 -6.398 1.00 0.00 H new ATOM 0 HG1 THR A 80 83.984 -3.542 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 80 81.872 -1.359 -8.568 1.00 0.00 H new ATOM 0 HG22 THR A 80 82.971 0.033 -8.416 1.00 0.00 H new ATOM 0 HG23 THR A 80 83.439 -1.367 -9.411 1.00 0.00 H new ATOM 1242 N PRO A 81 86.011 0.978 -7.207 1.00 0.00 N ATOM 1243 CA PRO A 81 86.178 2.368 -6.766 1.00 0.00 C ATOM 1244 C PRO A 81 84.908 3.196 -6.949 1.00 0.00 C ATOM 1245 O PRO A 81 84.570 3.594 -8.063 1.00 0.00 O ATOM 1246 CB PRO A 81 87.301 2.905 -7.661 1.00 0.00 C ATOM 1247 CG PRO A 81 87.336 1.987 -8.835 1.00 0.00 C ATOM 1248 CD PRO A 81 86.921 0.641 -8.316 1.00 0.00 C ATOM 0 HA PRO A 81 86.404 2.426 -5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 81 87.102 3.931 -7.969 1.00 0.00 H new ATOM 0 HB3 PRO A 81 88.256 2.909 -7.135 1.00 0.00 H new ATOM 0 HG2 PRO A 81 86.660 2.329 -9.619 1.00 0.00 H new ATOM 0 HG3 PRO A 81 88.335 1.947 -9.270 1.00 0.00 H new ATOM 0 HD2 PRO A 81 86.421 0.050 -9.083 1.00 0.00 H new ATOM 0 HD3 PRO A 81 87.777 0.060 -7.973 1.00 0.00 H new ATOM 1256 N ARG A 82 84.212 3.450 -5.846 1.00 0.00 N ATOM 1257 CA ARG A 82 82.981 4.235 -5.874 1.00 0.00 C ATOM 1258 C ARG A 82 82.834 5.039 -4.588 1.00 0.00 C ATOM 1259 O ARG A 82 83.093 4.531 -3.496 1.00 0.00 O ATOM 1260 CB ARG A 82 81.768 3.320 -6.062 1.00 0.00 C ATOM 1261 CG ARG A 82 81.581 2.322 -4.932 1.00 0.00 C ATOM 1262 CD ARG A 82 80.376 1.425 -5.170 1.00 0.00 C ATOM 1263 NE ARG A 82 79.247 1.785 -4.315 1.00 0.00 N ATOM 1264 CZ ARG A 82 78.299 2.656 -4.656 1.00 0.00 C ATOM 1265 NH1 ARG A 82 78.334 3.264 -5.836 1.00 0.00 N ATOM 1266 NH2 ARG A 82 77.310 2.919 -3.814 1.00 0.00 N ATOM 0 H ARG A 82 84.480 3.123 -4.918 1.00 0.00 H new ATOM 0 HA ARG A 82 83.033 4.926 -6.716 1.00 0.00 H new ATOM 0 HB2 ARG A 82 80.870 3.933 -6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 82 81.874 2.778 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 82 82.477 1.710 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 82 81.457 2.857 -3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 82 80.075 1.493 -6.215 1.00 0.00 H new ATOM 0 HD3 ARG A 82 80.654 0.388 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 82 79.181 1.341 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 82 79.091 3.065 -6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 82 77.604 3.930 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 82 77.276 2.455 -2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 82 76.583 3.586 -4.073 1.00 0.00 H new ATOM 1280 N ARG A 83 82.416 6.295 -4.716 1.00 0.00 N ATOM 1281 CA ARG A 83 82.248 7.160 -3.553 1.00 0.00 C ATOM 1282 C ARG A 83 80.774 7.352 -3.209 1.00 0.00 C ATOM 1283 O ARG A 83 80.080 8.161 -3.824 1.00 0.00 O ATOM 1284 CB ARG A 83 82.904 8.518 -3.804 1.00 0.00 C ATOM 1285 CG ARG A 83 84.359 8.418 -4.236 1.00 0.00 C ATOM 1286 CD ARG A 83 84.679 9.403 -5.349 1.00 0.00 C ATOM 1287 NE ARG A 83 85.730 8.907 -6.233 1.00 0.00 N ATOM 1288 CZ ARG A 83 86.329 9.649 -7.162 1.00 0.00 C ATOM 1289 NH1 ARG A 83 85.984 10.919 -7.329 1.00 0.00 N ATOM 1290 NH2 ARG A 83 87.276 9.119 -7.923 1.00 0.00 N ATOM 0 H ARG A 83 82.189 6.734 -5.608 1.00 0.00 H new ATOM 0 HA ARG A 83 82.734 6.675 -2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 83 82.341 9.048 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 83 82.843 9.116 -2.894 1.00 0.00 H new ATOM 0 HG2 ARG A 83 85.007 8.610 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 83 84.570 7.404 -4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 83 83.778 9.598 -5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 83 84.989 10.353 -4.914 1.00 0.00 H new ATOM 0 HE ARG A 83 86.022 7.935 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 83 85.257 11.331 -6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 83 86.446 11.483 -8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 83 87.545 8.143 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 83 87.735 9.687 -8.635 1.00 0.00 H new ATOM 1304 N ASP A 84 80.305 6.597 -2.221 1.00 0.00 N ATOM 1305 CA ASP A 84 78.919 6.683 -1.776 1.00 0.00 C ATOM 1306 C ASP A 84 78.814 6.329 -0.299 1.00 0.00 C ATOM 1307 O ASP A 84 78.785 5.151 0.062 1.00 0.00 O ATOM 1308 CB ASP A 84 78.048 5.735 -2.589 1.00 0.00 C ATOM 1309 CG ASP A 84 77.341 6.432 -3.735 1.00 0.00 C ATOM 1310 OD1 ASP A 84 78.035 6.988 -4.611 1.00 0.00 O ATOM 1311 OD2 ASP A 84 76.092 6.420 -3.756 1.00 0.00 O ATOM 0 H ASP A 84 80.868 5.916 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 84 78.573 7.706 -1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 84 78.666 4.929 -2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 84 77.307 5.277 -1.934 1.00 0.00 H new ATOM 1316 N GLU A 85 78.755 7.342 0.552 1.00 0.00 N ATOM 1317 CA GLU A 85 78.668 7.111 1.989 1.00 0.00 C ATOM 1318 C GLU A 85 77.936 8.252 2.688 1.00 0.00 C ATOM 1319 O GLU A 85 77.976 9.396 2.236 1.00 0.00 O ATOM 1320 CB GLU A 85 80.073 6.944 2.575 1.00 0.00 C ATOM 1321 CG GLU A 85 81.068 6.332 1.597 1.00 0.00 C ATOM 1322 CD GLU A 85 82.504 6.429 2.077 1.00 0.00 C ATOM 1323 OE1 GLU A 85 82.732 7.023 3.152 1.00 0.00 O ATOM 1324 OE2 GLU A 85 83.399 5.910 1.378 1.00 0.00 O ATOM 0 H GLU A 85 78.766 8.324 0.278 1.00 0.00 H new ATOM 0 HA GLU A 85 78.098 6.197 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 85 80.443 7.918 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 85 80.015 6.316 3.464 1.00 0.00 H new ATOM 0 HG2 GLU A 85 80.814 5.284 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 85 80.978 6.833 0.633 1.00 0.00 H new ATOM 1331 N GLU A 86 77.265 7.935 3.791 1.00 0.00 N ATOM 1332 CA GLU A 86 76.534 8.945 4.548 1.00 0.00 C ATOM 1333 C GLU A 86 76.662 8.741 6.035 1.00 0.00 C ATOM 1334 O GLU A 86 75.945 7.964 6.666 1.00 0.00 O ATOM 1335 CB GLU A 86 75.058 8.940 4.149 1.00 0.00 C ATOM 1336 CG GLU A 86 74.224 9.976 4.889 1.00 0.00 C ATOM 1337 CD GLU A 86 73.287 10.740 3.971 1.00 0.00 C ATOM 1338 OE1 GLU A 86 73.195 10.378 2.778 1.00 0.00 O ATOM 1339 OE2 GLU A 86 72.646 11.701 4.445 1.00 0.00 O ATOM 0 H GLU A 86 77.212 6.993 4.179 1.00 0.00 H new ATOM 0 HA GLU A 86 76.975 9.912 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 86 74.979 9.121 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.643 7.950 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 86 73.641 9.480 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.888 10.680 5.391 1.00 0.00 H new ATOM 1346 N ILE A 87 77.610 9.475 6.553 1.00 0.00 N ATOM 1347 CA ILE A 87 77.855 9.595 7.956 1.00 0.00 C ATOM 1348 C ILE A 87 77.839 11.084 8.102 1.00 0.00 C ATOM 1349 O ILE A 87 78.849 11.744 7.892 1.00 0.00 O ATOM 1350 CB ILE A 87 79.225 9.004 8.379 1.00 0.00 C ATOM 1351 CG1 ILE A 87 79.062 7.543 8.800 1.00 0.00 C ATOM 1352 CG2 ILE A 87 79.861 9.817 9.506 1.00 0.00 C ATOM 1353 CD1 ILE A 87 78.208 7.361 10.035 1.00 0.00 C ATOM 0 H ILE A 87 78.254 10.024 5.984 1.00 0.00 H new ATOM 0 HA ILE A 87 77.141 9.055 8.578 1.00 0.00 H new ATOM 0 HB ILE A 87 79.892 9.053 7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 87 78.619 6.983 7.976 1.00 0.00 H new ATOM 0 HG13 ILE A 87 80.047 7.114 8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 87 80.820 9.375 9.777 1.00 0.00 H new ATOM 0 HG22 ILE A 87 80.016 10.843 9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 87 79.201 9.814 10.374 1.00 0.00 H new ATOM 0 HD11 ILE A 87 78.136 6.300 10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 87 78.661 7.892 10.872 1.00 0.00 H new ATOM 0 HD13 ILE A 87 77.210 7.759 9.850 1.00 0.00 H new ATOM 1365 N THR A 88 76.697 11.621 8.451 1.00 0.00 N ATOM 1366 CA THR A 88 76.572 13.052 8.492 1.00 0.00 C ATOM 1367 C THR A 88 76.587 13.590 9.920 1.00 0.00 C ATOM 1368 O THR A 88 75.553 13.650 10.584 1.00 0.00 O ATOM 1369 CB THR A 88 75.312 13.529 7.733 1.00 0.00 C ATOM 1370 OG1 THR A 88 74.722 14.656 8.389 1.00 0.00 O ATOM 1371 CG2 THR A 88 74.285 12.420 7.596 1.00 0.00 C ATOM 0 H THR A 88 75.858 11.100 8.706 1.00 0.00 H new ATOM 0 HA THR A 88 77.446 13.460 7.985 1.00 0.00 H new ATOM 0 HB THR A 88 75.631 13.822 6.733 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.535 14.430 9.324 1.00 0.00 H new ATOM 0 HG21 THR A 88 73.415 12.795 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 88 74.721 11.586 7.046 1.00 0.00 H new ATOM 0 HG23 THR A 88 73.981 12.082 8.586 1.00 0.00 H new ATOM 1379 N ILE A 89 77.772 13.979 10.381 1.00 0.00 N ATOM 1380 CA ILE A 89 77.937 14.514 11.730 1.00 0.00 C ATOM 1381 C ILE A 89 76.944 15.640 12.005 1.00 0.00 C ATOM 1382 O ILE A 89 76.370 15.722 13.091 1.00 0.00 O ATOM 1383 CB ILE A 89 79.373 15.031 11.950 1.00 0.00 C ATOM 1384 CG1 ILE A 89 79.751 16.040 10.864 1.00 0.00 C ATOM 1385 CG2 ILE A 89 80.354 13.867 11.957 1.00 0.00 C ATOM 1386 CD1 ILE A 89 81.135 16.625 11.040 1.00 0.00 C ATOM 0 H ILE A 89 78.635 13.934 9.839 1.00 0.00 H new ATOM 0 HA ILE A 89 77.743 13.697 12.425 1.00 0.00 H new ATOM 0 HB ILE A 89 79.418 15.533 12.916 1.00 0.00 H new ATOM 0 HG12 ILE A 89 79.692 15.553 9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 89 79.021 16.849 10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 89 81.365 14.244 12.113 1.00 0.00 H new ATOM 0 HG22 ILE A 89 80.095 13.178 12.761 1.00 0.00 H new ATOM 0 HG23 ILE A 89 80.305 13.344 11.002 1.00 0.00 H new ATOM 0 HD11 ILE A 89 81.336 17.332 10.235 1.00 0.00 H new ATOM 0 HD12 ILE A 89 81.193 17.140 11.999 1.00 0.00 H new ATOM 0 HD13 ILE A 89 81.874 15.825 11.013 1.00 0.00 H new ATOM 1398 N LYS A 90 76.745 16.502 11.014 1.00 0.00 N ATOM 1399 CA LYS A 90 75.811 17.616 11.141 1.00 0.00 C ATOM 1400 C LYS A 90 74.663 17.453 10.151 1.00 0.00 C ATOM 1401 O LYS A 90 73.503 17.324 10.542 1.00 0.00 O ATOM 1402 CB LYS A 90 76.529 18.947 10.897 1.00 0.00 C ATOM 1403 CG LYS A 90 76.691 19.789 12.152 1.00 0.00 C ATOM 1404 CD LYS A 90 77.752 19.212 13.074 1.00 0.00 C ATOM 1405 CE LYS A 90 79.105 19.862 12.839 1.00 0.00 C ATOM 1406 NZ LYS A 90 79.294 21.071 13.688 1.00 0.00 N ATOM 0 H LYS A 90 77.219 16.451 10.112 1.00 0.00 H new ATOM 0 HA LYS A 90 75.409 17.618 12.154 1.00 0.00 H new ATOM 0 HB2 LYS A 90 77.513 18.747 10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 90 75.973 19.520 10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 90 76.962 20.808 11.876 1.00 0.00 H new ATOM 0 HG3 LYS A 90 75.739 19.844 12.680 1.00 0.00 H new ATOM 0 HD2 LYS A 90 77.452 19.358 14.112 1.00 0.00 H new ATOM 0 HD3 LYS A 90 77.830 18.137 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 90 79.896 19.142 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 90 79.198 20.138 11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 80.229 21.486 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 78.555 21.769 13.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 79.231 20.804 14.691 1.00 0.00 H new ATOM 1420 N ASP A 91 75.003 17.459 8.868 1.00 0.00 N ATOM 1421 CA ASP A 91 74.016 17.298 7.809 1.00 0.00 C ATOM 1422 C ASP A 91 74.675 16.762 6.543 1.00 0.00 C ATOM 1423 O ASP A 91 75.885 16.540 6.509 1.00 0.00 O ATOM 1424 CB ASP A 91 73.324 18.631 7.516 1.00 0.00 C ATOM 1425 CG ASP A 91 72.643 19.211 8.739 1.00 0.00 C ATOM 1426 OD1 ASP A 91 71.639 18.624 9.195 1.00 0.00 O ATOM 1427 OD2 ASP A 91 73.112 20.254 9.242 1.00 0.00 O ATOM 0 H ASP A 91 75.960 17.574 8.535 1.00 0.00 H new ATOM 0 HA ASP A 91 73.267 16.581 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 91 74.059 19.343 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 91 72.586 18.488 6.726 1.00 0.00 H new ATOM 1432 N ARG A 92 73.871 16.552 5.508 1.00 0.00 N ATOM 1433 CA ARG A 92 74.374 16.042 4.237 1.00 0.00 C ATOM 1434 C ARG A 92 74.938 14.626 4.395 1.00 0.00 C ATOM 1435 O ARG A 92 74.193 13.650 4.328 1.00 0.00 O ATOM 1436 CB ARG A 92 75.432 16.994 3.665 1.00 0.00 C ATOM 1437 CG ARG A 92 76.064 16.499 2.372 1.00 0.00 C ATOM 1438 CD ARG A 92 76.340 17.645 1.410 1.00 0.00 C ATOM 1439 NE ARG A 92 75.897 17.337 0.053 1.00 0.00 N ATOM 1440 CZ ARG A 92 74.628 17.117 -0.282 1.00 0.00 C ATOM 1441 NH1 ARG A 92 73.671 17.176 0.637 1.00 0.00 N ATOM 1442 NH2 ARG A 92 74.313 16.841 -1.540 1.00 0.00 N ATOM 0 H ARG A 92 72.866 16.727 5.523 1.00 0.00 H new ATOM 0 HA ARG A 92 73.542 15.988 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 92 74.974 17.967 3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 92 76.215 17.142 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 92 76.995 15.980 2.597 1.00 0.00 H new ATOM 0 HG3 ARG A 92 75.402 15.775 1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 92 75.834 18.544 1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 92 77.408 17.863 1.402 1.00 0.00 H new ATOM 0 HE ARG A 92 76.602 17.288 -0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 92 73.907 17.391 1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 92 72.700 17.006 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 92 75.043 16.797 -2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 92 73.340 16.672 -1.797 1.00 0.00 H new ATOM 1456 N LEU A 93 76.251 14.512 4.611 1.00 0.00 N ATOM 1457 CA LEU A 93 76.888 13.203 4.764 1.00 0.00 C ATOM 1458 C LEU A 93 78.412 13.336 4.804 1.00 0.00 C ATOM 1459 O LEU A 93 78.953 14.440 4.731 1.00 0.00 O ATOM 1460 CB LEU A 93 76.493 12.278 3.605 1.00 0.00 C ATOM 1461 CG LEU A 93 76.282 12.969 2.252 1.00 0.00 C ATOM 1462 CD1 LEU A 93 77.399 12.606 1.284 1.00 0.00 C ATOM 1463 CD2 LEU A 93 74.929 12.594 1.664 1.00 0.00 C ATOM 0 H LEU A 93 76.889 15.304 4.683 1.00 0.00 H new ATOM 0 HA LEU A 93 76.545 12.775 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 93 77.267 11.519 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 93 75.574 11.758 3.875 1.00 0.00 H new ATOM 0 HG LEU A 93 76.302 14.047 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 93 77.231 13.106 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 93 78.356 12.924 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 93 77.411 11.527 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 93 74.798 13.094 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 93 74.881 11.515 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 93 74.137 12.904 2.346 1.00 0.00 H new ATOM 1475 N LEU A 94 79.096 12.199 4.922 1.00 0.00 N ATOM 1476 CA LEU A 94 80.558 12.169 4.946 1.00 0.00 C ATOM 1477 C LEU A 94 81.070 11.005 4.111 1.00 0.00 C ATOM 1478 O LEU A 94 81.092 9.865 4.573 1.00 0.00 O ATOM 1479 CB LEU A 94 81.106 12.024 6.372 1.00 0.00 C ATOM 1480 CG LEU A 94 80.915 13.241 7.285 1.00 0.00 C ATOM 1481 CD1 LEU A 94 81.176 12.868 8.742 1.00 0.00 C ATOM 1482 CD2 LEU A 94 81.830 14.376 6.852 1.00 0.00 C ATOM 0 H LEU A 94 78.658 11.281 5.003 1.00 0.00 H new ATOM 0 HA LEU A 94 80.904 13.117 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 94 80.627 11.164 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 94 82.171 11.802 6.311 1.00 0.00 H new ATOM 0 HG LEU A 94 79.882 13.577 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 94 81.035 13.746 9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 94 80.481 12.086 9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 94 82.199 12.506 8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 94 81.683 15.233 7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 94 82.868 14.049 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 94 81.596 14.661 5.826 1.00 0.00 H new ATOM 1494 N LEU A 95 81.483 11.288 2.884 1.00 0.00 N ATOM 1495 CA LEU A 95 82.006 10.246 2.017 1.00 0.00 C ATOM 1496 C LEU A 95 83.524 10.281 2.023 1.00 0.00 C ATOM 1497 O LEU A 95 84.142 11.242 1.565 1.00 0.00 O ATOM 1498 CB LEU A 95 81.472 10.384 0.590 1.00 0.00 C ATOM 1499 CG LEU A 95 81.658 11.763 -0.048 1.00 0.00 C ATOM 1500 CD1 LEU A 95 82.718 11.712 -1.138 1.00 0.00 C ATOM 1501 CD2 LEU A 95 80.339 12.274 -0.612 1.00 0.00 C ATOM 0 H LEU A 95 81.466 12.220 2.471 1.00 0.00 H new ATOM 0 HA LEU A 95 81.669 9.283 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 95 81.965 9.642 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 95 80.409 10.144 0.593 1.00 0.00 H new ATOM 0 HG LEU A 95 81.994 12.454 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 95 82.835 12.702 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 95 83.667 11.392 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 95 82.413 11.005 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 95 80.491 13.255 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 95 79.974 11.581 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 95 79.606 12.352 0.191 1.00 0.00 H new ATOM 1513 N ILE A 96 84.114 9.221 2.549 1.00 0.00 N ATOM 1514 CA ILE A 96 85.558 9.112 2.636 1.00 0.00 C ATOM 1515 C ILE A 96 86.089 8.264 1.485 1.00 0.00 C ATOM 1516 O ILE A 96 85.397 7.375 0.988 1.00 0.00 O ATOM 1517 CB ILE A 96 85.980 8.505 3.994 1.00 0.00 C ATOM 1518 CG1 ILE A 96 85.642 9.470 5.142 1.00 0.00 C ATOM 1519 CG2 ILE A 96 87.469 8.182 3.998 1.00 0.00 C ATOM 1520 CD1 ILE A 96 84.161 9.783 5.286 1.00 0.00 C ATOM 0 H ILE A 96 83.609 8.418 2.925 1.00 0.00 H new ATOM 0 HA ILE A 96 85.986 10.112 2.563 1.00 0.00 H new ATOM 0 HB ILE A 96 85.425 7.579 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 96 86.003 9.043 6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 96 86.184 10.403 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 96 87.746 7.756 4.962 1.00 0.00 H new ATOM 0 HG22 ILE A 96 87.688 7.464 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 96 88.040 9.095 3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 96 84.014 10.470 6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 96 83.795 10.242 4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 96 83.611 8.861 5.475 1.00 0.00 H new ATOM 1532 N ASN A 97 87.318 8.541 1.062 1.00 0.00 N ATOM 1533 CA ASN A 97 87.913 7.820 -0.055 1.00 0.00 C ATOM 1534 C ASN A 97 88.844 6.708 0.412 1.00 0.00 C ATOM 1535 O ASN A 97 89.848 6.953 1.081 1.00 0.00 O ATOM 1536 CB ASN A 97 88.678 8.791 -0.956 1.00 0.00 C ATOM 1537 CG ASN A 97 87.838 9.984 -1.366 1.00 0.00 C ATOM 1538 OD1 ASN A 97 86.947 9.871 -2.209 1.00 0.00 O ATOM 1539 ND2 ASN A 97 88.117 11.138 -0.771 1.00 0.00 N ATOM 0 H ASN A 97 87.918 9.256 1.474 1.00 0.00 H new ATOM 0 HA ASN A 97 87.100 7.357 -0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 97 89.570 9.140 -0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 97 89.016 8.264 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 97 87.584 11.975 -1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 97 88.864 11.187 -0.078 1.00 0.00 H new ATOM 1546 N THR A 98 88.491 5.482 0.044 1.00 0.00 N ATOM 1547 CA THR A 98 89.278 4.307 0.391 1.00 0.00 C ATOM 1548 C THR A 98 89.118 3.240 -0.684 1.00 0.00 C ATOM 1549 O THR A 98 88.129 2.508 -0.703 1.00 0.00 O ATOM 1550 CB THR A 98 88.853 3.724 1.751 1.00 0.00 C ATOM 1551 OG1 THR A 98 87.434 3.536 1.784 1.00 0.00 O ATOM 1552 CG2 THR A 98 89.273 4.644 2.889 1.00 0.00 C ATOM 0 H THR A 98 87.654 5.276 -0.501 1.00 0.00 H new ATOM 0 HA THR A 98 90.321 4.615 0.460 1.00 0.00 H new ATOM 0 HB THR A 98 89.349 2.762 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 98 87.150 3.046 0.984 1.00 0.00 H new ATOM 0 HG21 THR A 98 88.962 4.212 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 98 90.357 4.762 2.881 1.00 0.00 H new ATOM 0 HG23 THR A 98 88.801 5.618 2.762 1.00 0.00 H new ATOM 1560 N VAL A 99 90.097 3.155 -1.577 1.00 0.00 N ATOM 1561 CA VAL A 99 90.052 2.187 -2.667 1.00 0.00 C ATOM 1562 C VAL A 99 91.253 1.248 -2.635 1.00 0.00 C ATOM 1563 O VAL A 99 92.335 1.624 -2.183 1.00 0.00 O ATOM 1564 CB VAL A 99 90.007 2.891 -4.035 1.00 0.00 C ATOM 1565 CG1 VAL A 99 88.707 3.662 -4.196 1.00 0.00 C ATOM 1566 CG2 VAL A 99 91.207 3.812 -4.201 1.00 0.00 C ATOM 0 H VAL A 99 90.930 3.743 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 99 89.142 1.604 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 99 90.050 2.132 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 99 88.693 4.153 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 99 87.865 2.974 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 99 88.629 4.413 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 99 91.158 4.301 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 99 91.198 4.567 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 99 92.125 3.229 -4.134 1.00 0.00 H new ATOM 1576 N PRO A 100 91.074 0.005 -3.116 1.00 0.00 N ATOM 1577 CA PRO A 100 92.129 -0.993 -3.159 1.00 0.00 C ATOM 1578 C PRO A 100 92.773 -1.091 -4.538 1.00 0.00 C ATOM 1579 O PRO A 100 92.125 -0.843 -5.554 1.00 0.00 O ATOM 1580 CB PRO A 100 91.350 -2.266 -2.849 1.00 0.00 C ATOM 1581 CG PRO A 100 90.007 -2.051 -3.482 1.00 0.00 C ATOM 1582 CD PRO A 100 89.812 -0.555 -3.626 1.00 0.00 C ATOM 0 HA PRO A 100 92.954 -0.778 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 100 91.846 -3.145 -3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 100 91.261 -2.425 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 100 89.958 -2.540 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 100 89.218 -2.484 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 100 89.637 -0.271 -4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 100 88.955 -0.204 -3.050 1.00 0.00 H new ATOM 1590 N VAL A 101 94.051 -1.453 -4.568 1.00 0.00 N ATOM 1591 CA VAL A 101 94.777 -1.581 -5.827 1.00 0.00 C ATOM 1592 C VAL A 101 95.371 -2.977 -5.980 1.00 0.00 C ATOM 1593 O VAL A 101 96.012 -3.495 -5.067 1.00 0.00 O ATOM 1594 CB VAL A 101 95.908 -0.542 -5.935 1.00 0.00 C ATOM 1595 CG1 VAL A 101 95.336 0.867 -5.997 1.00 0.00 C ATOM 1596 CG2 VAL A 101 96.875 -0.680 -4.770 1.00 0.00 C ATOM 0 H VAL A 101 94.605 -1.663 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 101 94.055 -1.405 -6.625 1.00 0.00 H new ATOM 0 HB VAL A 101 96.458 -0.728 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 101 96.151 1.587 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 101 94.688 0.959 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 101 94.759 1.066 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 101 97.667 0.063 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 101 96.341 -0.523 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 101 97.312 -1.679 -4.776 1.00 0.00 H new ATOM 1606 N ARG A 102 95.149 -3.582 -7.143 1.00 0.00 N ATOM 1607 CA ARG A 102 95.661 -4.918 -7.419 1.00 0.00 C ATOM 1608 C ARG A 102 97.187 -4.927 -7.411 1.00 0.00 C ATOM 1609 O ARG A 102 97.825 -4.077 -8.033 1.00 0.00 O ATOM 1610 CB ARG A 102 95.143 -5.417 -8.769 1.00 0.00 C ATOM 1611 CG ARG A 102 93.631 -5.554 -8.828 1.00 0.00 C ATOM 1612 CD ARG A 102 93.152 -5.805 -10.248 1.00 0.00 C ATOM 1613 NE ARG A 102 93.310 -7.203 -10.642 1.00 0.00 N ATOM 1614 CZ ARG A 102 92.438 -8.164 -10.341 1.00 0.00 C ATOM 1615 NH1 ARG A 102 91.348 -7.884 -9.639 1.00 0.00 N ATOM 1616 NH2 ARG A 102 92.659 -9.408 -10.743 1.00 0.00 N ATOM 0 H ARG A 102 94.618 -3.167 -7.909 1.00 0.00 H new ATOM 0 HA ARG A 102 95.307 -5.586 -6.634 1.00 0.00 H new ATOM 0 HB2 ARG A 102 95.468 -4.729 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 102 95.596 -6.384 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 102 93.313 -6.375 -8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 102 93.167 -4.647 -8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 102 92.103 -5.522 -10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 102 93.710 -5.170 -10.936 1.00 0.00 H new ATOM 0 HE ARG A 102 94.138 -7.459 -11.180 1.00 0.00 H new ATOM 0 HH11 ARG A 102 91.174 -6.929 -9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 102 90.684 -8.624 -9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 102 93.496 -9.629 -11.282 1.00 0.00 H new ATOM 0 HH22 ARG A 102 91.992 -10.144 -10.513 1.00 0.00 H new ATOM 1630 N SER A 103 97.765 -5.892 -6.705 1.00 0.00 N ATOM 1631 CA SER A 103 99.216 -6.010 -6.618 1.00 0.00 C ATOM 1632 C SER A 103 99.733 -7.079 -7.573 1.00 0.00 C ATOM 1633 O SER A 103 100.373 -6.770 -8.578 1.00 0.00 O ATOM 1634 CB SER A 103 99.640 -6.336 -5.185 1.00 0.00 C ATOM 1635 OG SER A 103 98.611 -6.021 -4.263 1.00 0.00 O ATOM 0 H SER A 103 97.252 -6.604 -6.185 1.00 0.00 H new ATOM 0 HA SER A 103 99.651 -5.053 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 103 99.889 -7.394 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 103 100.541 -5.777 -4.933 1.00 0.00 H new ATOM 0 HG SER A 103 98.907 -6.240 -3.355 1.00 0.00 H new ATOM 1641 N ASN A 104 99.454 -8.338 -7.255 1.00 0.00 N ATOM 1642 CA ASN A 104 99.895 -9.449 -8.088 1.00 0.00 C ATOM 1643 C ASN A 104 98.705 -10.273 -8.572 1.00 0.00 C ATOM 1644 O ASN A 104 98.827 -11.473 -8.818 1.00 0.00 O ATOM 1645 CB ASN A 104 100.869 -10.340 -7.313 1.00 0.00 C ATOM 1646 CG ASN A 104 102.317 -10.007 -7.610 1.00 0.00 C ATOM 1647 OD1 ASN A 104 103.106 -10.878 -7.974 1.00 0.00 O ATOM 1648 ND2 ASN A 104 102.675 -8.737 -7.455 1.00 0.00 N ATOM 0 H ASN A 104 98.925 -8.614 -6.428 1.00 0.00 H new ATOM 0 HA ASN A 104 100.406 -9.038 -8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 104 100.686 -10.230 -6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 104 100.680 -11.384 -7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 104 103.637 -8.452 -7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 104 101.988 -8.047 -7.151 1.00 0.00 H new ATOM 1655 N GLY A 105 97.554 -9.621 -8.706 1.00 0.00 N ATOM 1656 CA GLY A 105 96.360 -10.310 -9.159 1.00 0.00 C ATOM 1657 C GLY A 105 95.258 -10.307 -8.117 1.00 0.00 C ATOM 1658 O GLY A 105 94.369 -9.455 -8.145 1.00 0.00 O ATOM 0 H GLY A 105 97.427 -8.628 -8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 105 95.995 -9.837 -10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 105 96.613 -11.339 -9.413 1.00 0.00 H new ATOM 1662 N VAL A 106 95.316 -11.263 -7.195 1.00 0.00 N ATOM 1663 CA VAL A 106 94.315 -11.368 -6.140 1.00 0.00 C ATOM 1664 C VAL A 106 94.343 -10.143 -5.231 1.00 0.00 C ATOM 1665 O VAL A 106 95.410 -9.685 -4.822 1.00 0.00 O ATOM 1666 CB VAL A 106 94.527 -12.632 -5.286 1.00 0.00 C ATOM 1667 CG1 VAL A 106 94.294 -13.884 -6.117 1.00 0.00 C ATOM 1668 CG2 VAL A 106 95.923 -12.637 -4.679 1.00 0.00 C ATOM 0 H VAL A 106 96.045 -11.975 -7.157 1.00 0.00 H new ATOM 0 HA VAL A 106 93.344 -11.430 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 106 93.802 -12.625 -4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 106 94.448 -14.767 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 106 93.273 -13.883 -6.498 1.00 0.00 H new ATOM 0 HG13 VAL A 106 94.993 -13.901 -6.953 1.00 0.00 H new ATOM 0 HG21 VAL A 106 96.056 -13.537 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 106 96.666 -12.620 -5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 106 96.048 -11.758 -4.047 1.00 0.00 H new ATOM 1678 N ILE A 107 93.162 -9.619 -4.919 1.00 0.00 N ATOM 1679 CA ILE A 107 93.049 -8.446 -4.060 1.00 0.00 C ATOM 1680 C ILE A 107 92.785 -8.845 -2.611 1.00 0.00 C ATOM 1681 O ILE A 107 91.718 -9.362 -2.283 1.00 0.00 O ATOM 1682 CB ILE A 107 91.923 -7.505 -4.540 1.00 0.00 C ATOM 1683 CG1 ILE A 107 91.884 -6.236 -3.686 1.00 0.00 C ATOM 1684 CG2 ILE A 107 90.578 -8.218 -4.503 1.00 0.00 C ATOM 1685 CD1 ILE A 107 90.870 -5.218 -4.163 1.00 0.00 C ATOM 0 H ILE A 107 92.270 -9.988 -5.248 1.00 0.00 H new ATOM 0 HA ILE A 107 94.001 -7.919 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 107 92.130 -7.218 -5.571 1.00 0.00 H new ATOM 0 HG12 ILE A 107 91.657 -6.508 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 107 92.873 -5.778 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 107 89.797 -7.539 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 107 90.611 -9.091 -5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 107 90.362 -8.535 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 107 90.897 -4.345 -3.511 1.00 0.00 H new ATOM 0 HD12 ILE A 107 91.109 -4.917 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 107 89.873 -5.658 -4.138 1.00 0.00 H new ATOM 1697 N ILE A 108 93.766 -8.602 -1.747 1.00 0.00 N ATOM 1698 CA ILE A 108 93.641 -8.933 -0.332 1.00 0.00 C ATOM 1699 C ILE A 108 93.764 -7.684 0.534 1.00 0.00 C ATOM 1700 O ILE A 108 92.841 -7.331 1.268 1.00 0.00 O ATOM 1701 CB ILE A 108 94.709 -9.952 0.108 1.00 0.00 C ATOM 1702 CG1 ILE A 108 94.802 -11.098 -0.901 1.00 0.00 C ATOM 1703 CG2 ILE A 108 94.388 -10.487 1.496 1.00 0.00 C ATOM 1704 CD1 ILE A 108 93.528 -11.905 -1.020 1.00 0.00 C ATOM 0 H ILE A 108 94.657 -8.177 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 108 92.654 -9.375 -0.198 1.00 0.00 H new ATOM 0 HB ILE A 108 95.675 -9.449 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 108 95.056 -10.690 -1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 108 95.617 -11.761 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 108 95.151 -11.206 1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 108 94.369 -9.662 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 108 93.414 -10.977 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 108 93.668 -12.700 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 108 93.283 -12.343 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 108 92.714 -11.255 -1.341 1.00 0.00 H new ATOM 1716 N GLY A 109 94.912 -7.020 0.443 1.00 0.00 N ATOM 1717 CA GLY A 109 95.137 -5.818 1.223 1.00 0.00 C ATOM 1718 C GLY A 109 94.297 -4.651 0.743 1.00 0.00 C ATOM 1719 O GLY A 109 93.587 -4.758 -0.257 1.00 0.00 O ATOM 0 H GLY A 109 95.690 -7.293 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 109 94.909 -6.020 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 109 96.192 -5.548 1.173 1.00 0.00 H new ATOM 1723 N ALA A 110 94.377 -3.535 1.458 1.00 0.00 N ATOM 1724 CA ALA A 110 93.618 -2.343 1.101 1.00 0.00 C ATOM 1725 C ALA A 110 94.356 -1.077 1.522 1.00 0.00 C ATOM 1726 O ALA A 110 94.869 -0.988 2.637 1.00 0.00 O ATOM 1727 CB ALA A 110 92.236 -2.387 1.737 1.00 0.00 C ATOM 0 H ALA A 110 94.960 -3.431 2.288 1.00 0.00 H new ATOM 0 HA ALA A 110 93.506 -2.324 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 110 91.680 -1.491 1.462 1.00 0.00 H new ATOM 0 HB2 ALA A 110 91.701 -3.268 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 110 92.336 -2.434 2.821 1.00 0.00 H new ATOM 1733 N ILE A 111 94.409 -0.102 0.622 1.00 0.00 N ATOM 1734 CA ILE A 111 95.086 1.159 0.901 1.00 0.00 C ATOM 1735 C ILE A 111 94.084 2.299 1.057 1.00 0.00 C ATOM 1736 O ILE A 111 93.025 2.297 0.430 1.00 0.00 O ATOM 1737 CB ILE A 111 96.088 1.516 -0.213 1.00 0.00 C ATOM 1738 CG1 ILE A 111 97.022 0.335 -0.484 1.00 0.00 C ATOM 1739 CG2 ILE A 111 96.887 2.754 0.164 1.00 0.00 C ATOM 1740 CD1 ILE A 111 96.407 -0.735 -1.359 1.00 0.00 C ATOM 0 H ILE A 111 93.992 -0.160 -0.307 1.00 0.00 H new ATOM 0 HA ILE A 111 95.628 1.027 1.837 1.00 0.00 H new ATOM 0 HB ILE A 111 95.531 1.734 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 111 97.931 0.703 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 111 97.317 -0.110 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 111 97.590 2.991 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 111 96.208 3.594 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 111 97.437 2.565 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 111 97.126 -1.540 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 111 95.514 -1.131 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 111 96.138 -0.305 -2.324 1.00 0.00 H new ATOM 1752 N SER A 112 94.428 3.270 1.895 1.00 0.00 N ATOM 1753 CA SER A 112 93.560 4.417 2.135 1.00 0.00 C ATOM 1754 C SER A 112 94.023 5.626 1.329 1.00 0.00 C ATOM 1755 O SER A 112 95.217 5.920 1.264 1.00 0.00 O ATOM 1756 CB SER A 112 93.535 4.762 3.625 1.00 0.00 C ATOM 1757 OG SER A 112 94.731 4.352 4.263 1.00 0.00 O ATOM 0 H SER A 112 95.302 3.286 2.420 1.00 0.00 H new ATOM 0 HA SER A 112 92.552 4.152 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 112 93.402 5.837 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 112 92.682 4.278 4.099 1.00 0.00 H new ATOM 0 HG SER A 112 94.691 4.585 5.214 1.00 0.00 H new ATOM 1763 N THR A 113 93.073 6.324 0.715 1.00 0.00 N ATOM 1764 CA THR A 113 93.388 7.500 -0.086 1.00 0.00 C ATOM 1765 C THR A 113 93.130 8.782 0.696 1.00 0.00 C ATOM 1766 O THR A 113 92.054 8.970 1.264 1.00 0.00 O ATOM 1767 CB THR A 113 92.566 7.532 -1.388 1.00 0.00 C ATOM 1768 OG1 THR A 113 92.494 6.218 -1.955 1.00 0.00 O ATOM 1769 CG2 THR A 113 93.186 8.490 -2.393 1.00 0.00 C ATOM 0 H THR A 113 92.080 6.095 0.757 1.00 0.00 H new ATOM 0 HA THR A 113 94.447 7.436 -0.337 1.00 0.00 H new ATOM 0 HB THR A 113 91.561 7.879 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 113 92.421 6.286 -2.930 1.00 0.00 H new ATOM 0 HG21 THR A 113 92.589 8.497 -3.305 1.00 0.00 H new ATOM 0 HG22 THR A 113 93.213 9.494 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 113 94.201 8.167 -2.626 1.00 0.00 H new ATOM 1777 N PHE A 114 94.125 9.663 0.720 1.00 0.00 N ATOM 1778 CA PHE A 114 94.008 10.930 1.431 1.00 0.00 C ATOM 1779 C PHE A 114 94.442 12.093 0.545 1.00 0.00 C ATOM 1780 O PHE A 114 95.635 12.351 0.383 1.00 0.00 O ATOM 1781 CB PHE A 114 94.854 10.903 2.707 1.00 0.00 C ATOM 1782 CG PHE A 114 94.271 11.710 3.831 1.00 0.00 C ATOM 1783 CD1 PHE A 114 93.838 13.008 3.618 1.00 0.00 C ATOM 1784 CD2 PHE A 114 94.158 11.169 5.102 1.00 0.00 C ATOM 1785 CE1 PHE A 114 93.302 13.753 4.650 1.00 0.00 C ATOM 1786 CE2 PHE A 114 93.623 11.910 6.140 1.00 0.00 C ATOM 1787 CZ PHE A 114 93.194 13.204 5.913 1.00 0.00 C ATOM 0 H PHE A 114 95.022 9.522 0.255 1.00 0.00 H new ATOM 0 HA PHE A 114 92.961 11.072 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 114 94.970 9.870 3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 114 95.851 11.279 2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 114 93.920 13.443 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 114 94.491 10.158 5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 114 92.968 14.764 4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 114 93.541 11.478 7.126 1.00 0.00 H new ATOM 0 HZ PHE A 114 92.775 13.785 6.721 1.00 0.00 H new ATOM 1797 N ARG A 115 93.466 12.792 -0.026 1.00 0.00 N ATOM 1798 CA ARG A 115 93.750 13.927 -0.896 1.00 0.00 C ATOM 1799 C ARG A 115 92.630 14.960 -0.828 1.00 0.00 C ATOM 1800 O ARG A 115 91.569 14.782 -1.427 1.00 0.00 O ATOM 1801 CB ARG A 115 93.938 13.456 -2.339 1.00 0.00 C ATOM 1802 CG ARG A 115 94.707 14.441 -3.204 1.00 0.00 C ATOM 1803 CD ARG A 115 95.111 13.819 -4.530 1.00 0.00 C ATOM 1804 NE ARG A 115 93.980 13.706 -5.448 1.00 0.00 N ATOM 1805 CZ ARG A 115 94.041 13.093 -6.628 1.00 0.00 C ATOM 1806 NH1 ARG A 115 95.175 12.536 -7.036 1.00 0.00 N ATOM 1807 NH2 ARG A 115 92.966 13.035 -7.402 1.00 0.00 N ATOM 0 H ARG A 115 92.473 12.593 0.098 1.00 0.00 H new ATOM 0 HA ARG A 115 94.672 14.395 -0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 115 94.463 12.501 -2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 115 92.959 13.280 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 115 94.093 15.323 -3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 115 95.597 14.777 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 115 95.893 14.423 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 115 95.534 12.830 -4.353 1.00 0.00 H new ATOM 0 HE ARG A 115 93.091 14.121 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 115 96.005 12.577 -6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 115 95.216 12.067 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 115 92.092 13.460 -7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 115 93.013 12.565 -8.306 1.00 0.00 H new ATOM 1821 N ASP A 116 92.874 16.041 -0.095 1.00 0.00 N ATOM 1822 CA ASP A 116 91.889 17.106 0.051 1.00 0.00 C ATOM 1823 C ASP A 116 92.513 18.465 -0.242 1.00 0.00 C ATOM 1824 O ASP A 116 93.524 18.836 0.355 1.00 0.00 O ATOM 1825 CB ASP A 116 91.302 17.095 1.463 1.00 0.00 C ATOM 1826 CG ASP A 116 89.966 17.808 1.539 1.00 0.00 C ATOM 1827 OD1 ASP A 116 89.256 17.851 0.513 1.00 0.00 O ATOM 1828 OD2 ASP A 116 89.629 18.323 2.626 1.00 0.00 O ATOM 0 H ASP A 116 93.747 16.203 0.408 1.00 0.00 H new ATOM 0 HA ASP A 116 91.089 16.930 -0.669 1.00 0.00 H new ATOM 0 HB2 ASP A 116 91.180 16.064 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 116 92.004 17.570 2.149 1.00 0.00 H new