USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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 29 SER OG : rot 180:sc= 0.00228 USER MOD Set 1.2: A 44 GLN : amide:sc= -1.83 K(o=-1.8,f=-7.5!) USER MOD Single : A 26 ASN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 31 MET CE :methyl -152:sc= -1.1 (180deg=-3.04!) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -161:sc= -0.561 (180deg=-0.691) USER MOD Single : A 42 LYS NZ :NH3+ 146:sc=-0.00533 (180deg=-0.32) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= -0.107 (180deg=-0.463) USER MOD Single : A 48 ASN : amide:sc= -1.91! C(o=-1.9!,f=-8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 162:sc= 0.512 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -73:sc= 0.233 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.242 USER MOD Single : A 86 GLN : amide:sc= 0.366 X(o=0.37,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -2.25! C(o=-2.3!,f=-2.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -81:sc= -0.838 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 87:sc= 1.22 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 25.819 20.664 -5.317 1.00 0.00 N ATOM 385 CA ASN A 26 24.947 21.583 -4.593 1.00 0.00 C ATOM 386 C ASN A 26 23.499 21.430 -5.047 1.00 0.00 C ATOM 387 O ASN A 26 22.699 22.359 -4.929 1.00 0.00 O ATOM 388 CB ASN A 26 25.409 23.027 -4.800 1.00 0.00 C ATOM 389 CG ASN A 26 26.846 23.112 -5.277 1.00 0.00 C ATOM 390 OD1 ASN A 26 27.780 22.863 -4.516 1.00 0.00 O ATOM 391 ND2 ASN A 26 27.028 23.465 -6.544 1.00 0.00 N ATOM 0 HA ASN A 26 25.004 21.339 -3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 26 24.758 23.513 -5.527 1.00 0.00 H new ATOM 0 HB3 ASN A 26 25.307 23.576 -3.864 1.00 0.00 H new ATOM 0 HD21 ASN A 26 27.972 23.539 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 26 26.223 23.662 -7.139 1.00 0.00 H new ATOM 398 N VAL A 27 23.168 20.252 -5.566 1.00 0.00 N ATOM 399 CA VAL A 27 21.816 19.977 -6.037 1.00 0.00 C ATOM 400 C VAL A 27 20.969 19.347 -4.937 1.00 0.00 C ATOM 401 O VAL A 27 21.390 18.394 -4.283 1.00 0.00 O ATOM 402 CB VAL A 27 21.827 19.041 -7.260 1.00 0.00 C ATOM 403 CG1 VAL A 27 22.424 17.691 -6.895 1.00 0.00 C ATOM 404 CG2 VAL A 27 20.421 18.878 -7.818 1.00 0.00 C ATOM 0 H VAL A 27 23.818 19.473 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 27 21.380 20.934 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 27 22.451 19.490 -8.033 1.00 0.00 H new ATOM 0 HG11 VAL A 27 22.423 17.044 -7.772 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.448 17.828 -6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.830 17.232 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.447 18.214 -8.682 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.773 18.452 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.035 19.851 -8.121 1.00 0.00 H new ATOM 414 N GLY A 28 19.770 19.887 -4.737 1.00 0.00 N ATOM 415 CA GLY A 28 18.882 19.365 -3.715 1.00 0.00 C ATOM 416 C GLY A 28 17.752 18.539 -4.296 1.00 0.00 C ATOM 417 O GLY A 28 17.049 18.987 -5.203 1.00 0.00 O ATOM 0 H GLY A 28 19.398 20.677 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.455 18.753 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.465 20.194 -3.142 1.00 0.00 H new ATOM 421 N SER A 29 17.576 17.329 -3.775 1.00 0.00 N ATOM 422 CA SER A 29 16.526 16.436 -4.252 1.00 0.00 C ATOM 423 C SER A 29 15.448 16.250 -3.189 1.00 0.00 C ATOM 424 O SER A 29 15.745 15.965 -2.030 1.00 0.00 O ATOM 425 CB SER A 29 17.118 15.079 -4.638 1.00 0.00 C ATOM 426 OG SER A 29 18.489 15.002 -4.287 1.00 0.00 O ATOM 0 H SER A 29 18.147 16.944 -3.022 1.00 0.00 H new ATOM 0 HA SER A 29 16.070 16.889 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 29 16.566 14.283 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.005 14.921 -5.711 1.00 0.00 H new ATOM 0 HG SER A 29 18.843 14.125 -4.543 1.00 0.00 H new ATOM 432 N GLY A 30 14.192 16.414 -3.594 1.00 0.00 N ATOM 433 CA GLY A 30 13.087 16.260 -2.666 1.00 0.00 C ATOM 434 C GLY A 30 11.982 15.383 -3.220 1.00 0.00 C ATOM 435 O GLY A 30 11.353 15.724 -4.221 1.00 0.00 O ATOM 0 H GLY A 30 13.920 16.651 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.456 15.830 -1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.680 17.242 -2.424 1.00 0.00 H new ATOM 439 N MET A 31 11.746 14.249 -2.569 1.00 0.00 N ATOM 440 CA MET A 31 10.709 13.320 -3.003 1.00 0.00 C ATOM 441 C MET A 31 9.705 13.064 -1.884 1.00 0.00 C ATOM 442 O MET A 31 10.080 12.688 -0.773 1.00 0.00 O ATOM 443 CB MET A 31 11.335 11.999 -3.455 1.00 0.00 C ATOM 444 CG MET A 31 10.317 10.975 -3.930 1.00 0.00 C ATOM 445 SD MET A 31 10.114 9.608 -2.772 1.00 0.00 S ATOM 446 CE MET A 31 8.334 9.413 -2.786 1.00 0.00 C ATOM 0 H MET A 31 12.259 13.951 -1.739 1.00 0.00 H new ATOM 0 HA MET A 31 10.181 13.770 -3.844 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.041 12.198 -4.261 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.906 11.575 -2.629 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.355 11.466 -4.078 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.627 10.583 -4.898 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.005 9.006 -1.830 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.863 10.382 -2.949 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.049 8.732 -3.588 1.00 0.00 H new ATOM 456 N VAL A 32 8.426 13.271 -2.183 1.00 0.00 N ATOM 457 CA VAL A 32 7.368 13.061 -1.202 1.00 0.00 C ATOM 458 C VAL A 32 6.104 12.525 -1.864 1.00 0.00 C ATOM 459 O VAL A 32 5.915 12.666 -3.072 1.00 0.00 O ATOM 460 CB VAL A 32 7.030 14.365 -0.455 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.243 14.872 0.310 1.00 0.00 C ATOM 462 CG2 VAL A 32 6.523 15.420 -1.426 1.00 0.00 C ATOM 0 H VAL A 32 8.098 13.584 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 32 7.739 12.327 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 32 6.238 14.156 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.985 15.794 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.556 14.121 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.058 15.065 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.289 16.334 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.291 15.628 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.625 15.055 -1.924 1.00 0.00 H new ATOM 472 N GLY A 33 5.238 11.910 -1.064 1.00 0.00 N ATOM 473 CA GLY A 33 4.002 11.362 -1.590 1.00 0.00 C ATOM 474 C GLY A 33 3.188 10.646 -0.530 1.00 0.00 C ATOM 475 O GLY A 33 3.267 10.978 0.652 1.00 0.00 O ATOM 0 H GLY A 33 5.371 11.782 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.405 12.167 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.231 10.668 -2.399 1.00 0.00 H new ATOM 479 N ALA A 34 2.402 9.661 -0.954 1.00 0.00 N ATOM 480 CA ALA A 34 1.571 8.897 -0.033 1.00 0.00 C ATOM 481 C ALA A 34 1.373 7.468 -0.529 1.00 0.00 C ATOM 482 O ALA A 34 1.333 7.203 -1.731 1.00 0.00 O ATOM 483 CB ALA A 34 0.227 9.583 0.158 1.00 0.00 C ATOM 0 H ALA A 34 2.324 9.374 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 34 2.083 8.852 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.384 9.001 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.383 10.582 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.283 9.658 -0.802 1.00 0.00 H new ATOM 489 N PRO A 35 1.246 6.525 0.416 1.00 0.00 N ATOM 490 CA PRO A 35 1.049 5.108 0.098 1.00 0.00 C ATOM 491 C PRO A 35 -0.326 4.833 -0.500 1.00 0.00 C ATOM 492 O PRO A 35 -0.444 4.172 -1.532 1.00 0.00 O ATOM 493 CB PRO A 35 1.190 4.417 1.457 1.00 0.00 C ATOM 494 CG PRO A 35 0.825 5.462 2.453 1.00 0.00 C ATOM 495 CD PRO A 35 1.283 6.770 1.867 1.00 0.00 C ATOM 0 HA PRO A 35 1.759 4.756 -0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.531 3.552 1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.207 4.058 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.250 5.470 2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.308 5.273 3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.625 7.591 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.286 7.033 2.205 1.00 0.00 H new ATOM 503 N ALA A 36 -1.364 5.344 0.155 1.00 0.00 N ATOM 504 CA ALA A 36 -2.731 5.155 -0.314 1.00 0.00 C ATOM 505 C ALA A 36 -3.062 6.123 -1.445 1.00 0.00 C ATOM 506 O ALA A 36 -4.082 5.977 -2.120 1.00 0.00 O ATOM 507 CB ALA A 36 -3.712 5.329 0.836 1.00 0.00 C ATOM 0 H ALA A 36 -1.284 5.892 1.012 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.819 4.140 -0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.729 5.185 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.497 4.594 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.613 6.333 1.250 1.00 0.00 H new ATOM 513 N CYS A 37 -2.195 7.109 -1.646 1.00 0.00 N ATOM 514 CA CYS A 37 -2.397 8.102 -2.695 1.00 0.00 C ATOM 515 C CYS A 37 -1.708 7.675 -3.988 1.00 0.00 C ATOM 516 O CYS A 37 -2.219 7.909 -5.082 1.00 0.00 O ATOM 517 CB CYS A 37 -1.866 9.464 -2.246 1.00 0.00 C ATOM 518 SG CYS A 37 -2.684 10.871 -3.033 1.00 0.00 S ATOM 0 H CYS A 37 -1.346 7.242 -1.097 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.467 8.182 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.981 9.549 -1.165 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.798 9.513 -2.458 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.168 11.978 -2.588 1.00 0.00 H new ATOM 524 N GLY A 38 -0.543 7.048 -3.852 1.00 0.00 N ATOM 525 CA GLY A 38 0.198 6.600 -5.017 1.00 0.00 C ATOM 526 C GLY A 38 0.831 7.748 -5.778 1.00 0.00 C ATOM 527 O GLY A 38 1.410 7.549 -6.845 1.00 0.00 O ATOM 0 H GLY A 38 -0.100 6.843 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.976 5.903 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.471 6.053 -5.681 1.00 0.00 H new ATOM 531 N ALA A 39 0.720 8.953 -5.229 1.00 0.00 N ATOM 532 CA ALA A 39 1.286 10.137 -5.863 1.00 0.00 C ATOM 533 C ALA A 39 2.733 10.351 -5.432 1.00 0.00 C ATOM 534 O ALA A 39 3.096 10.088 -4.285 1.00 0.00 O ATOM 535 CB ALA A 39 0.448 11.364 -5.534 1.00 0.00 C ATOM 0 H ALA A 39 0.243 9.135 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 39 1.275 9.982 -6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.883 12.241 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.569 11.218 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.430 11.513 -4.454 1.00 0.00 H new ATOM 541 N VAL A 40 3.557 10.830 -6.359 1.00 0.00 N ATOM 542 CA VAL A 40 4.965 11.080 -6.074 1.00 0.00 C ATOM 543 C VAL A 40 5.410 12.423 -6.643 1.00 0.00 C ATOM 544 O VAL A 40 5.314 12.662 -7.846 1.00 0.00 O ATOM 545 CB VAL A 40 5.860 9.968 -6.653 1.00 0.00 C ATOM 546 CG1 VAL A 40 7.291 10.125 -6.161 1.00 0.00 C ATOM 547 CG2 VAL A 40 5.309 8.598 -6.288 1.00 0.00 C ATOM 0 H VAL A 40 3.274 11.053 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 40 5.072 11.095 -4.989 1.00 0.00 H new ATOM 0 HB VAL A 40 5.863 10.055 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.909 9.331 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.680 11.093 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.310 10.064 -5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.953 7.824 -6.705 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.275 8.497 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.303 8.490 -6.694 1.00 0.00 H new ATOM 557 N MET A 41 5.898 13.297 -5.768 1.00 0.00 N ATOM 558 CA MET A 41 6.361 14.616 -6.184 1.00 0.00 C ATOM 559 C MET A 41 7.883 14.700 -6.131 1.00 0.00 C ATOM 560 O MET A 41 8.474 14.765 -5.053 1.00 0.00 O ATOM 561 CB MET A 41 5.747 15.699 -5.294 1.00 0.00 C ATOM 562 CG MET A 41 4.228 15.739 -5.345 1.00 0.00 C ATOM 563 SD MET A 41 3.604 16.514 -6.849 1.00 0.00 S ATOM 564 CE MET A 41 3.528 18.229 -6.339 1.00 0.00 C ATOM 0 H MET A 41 5.983 13.116 -4.768 1.00 0.00 H new ATOM 0 HA MET A 41 6.042 14.778 -7.214 1.00 0.00 H new ATOM 0 HB2 MET A 41 6.063 15.534 -4.264 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.138 16.671 -5.596 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.839 14.723 -5.276 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.853 16.283 -4.478 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.864 18.778 -7.007 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.147 18.289 -5.319 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.526 18.665 -6.380 1.00 0.00 H new ATOM 574 N LYS A 42 8.512 14.699 -7.301 1.00 0.00 N ATOM 575 CA LYS A 42 9.965 14.776 -7.389 1.00 0.00 C ATOM 576 C LYS A 42 10.408 16.145 -7.897 1.00 0.00 C ATOM 577 O LYS A 42 10.124 16.517 -9.036 1.00 0.00 O ATOM 578 CB LYS A 42 10.500 13.680 -8.313 1.00 0.00 C ATOM 579 CG LYS A 42 9.998 12.290 -7.962 1.00 0.00 C ATOM 580 CD LYS A 42 11.035 11.226 -8.282 1.00 0.00 C ATOM 581 CE LYS A 42 12.215 11.292 -7.325 1.00 0.00 C ATOM 582 NZ LYS A 42 13.455 11.757 -8.005 1.00 0.00 N ATOM 0 H LYS A 42 8.038 14.646 -8.202 1.00 0.00 H new ATOM 0 HA LYS A 42 10.372 14.630 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.216 13.911 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.589 13.684 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.748 12.249 -6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.081 12.083 -8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.575 10.240 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.387 11.356 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.978 11.966 -6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.386 10.307 -6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.024 12.321 -7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.006 10.934 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.202 12.342 -8.827 1.00 0.00 H new ATOM 596 N LEU A 43 11.106 16.889 -7.046 1.00 0.00 N ATOM 597 CA LEU A 43 11.590 18.216 -7.410 1.00 0.00 C ATOM 598 C LEU A 43 13.094 18.329 -7.182 1.00 0.00 C ATOM 599 O LEU A 43 13.623 17.806 -6.202 1.00 0.00 O ATOM 600 CB LEU A 43 10.858 19.287 -6.598 1.00 0.00 C ATOM 601 CG LEU A 43 10.239 20.432 -7.401 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.771 20.154 -7.683 1.00 0.00 C ATOM 603 CD2 LEU A 43 10.402 21.751 -6.661 1.00 0.00 C ATOM 0 H LEU A 43 11.349 16.596 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 43 11.389 18.371 -8.470 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.067 18.803 -6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.559 19.711 -5.879 1.00 0.00 H new ATOM 0 HG LEU A 43 10.762 20.506 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.348 20.980 -8.255 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.679 19.231 -8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.233 20.052 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.956 22.555 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.905 21.689 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.462 21.956 -6.512 1.00 0.00 H new ATOM 615 N GLN A 44 13.775 19.017 -8.093 1.00 0.00 N ATOM 616 CA GLN A 44 15.218 19.199 -7.990 1.00 0.00 C ATOM 617 C GLN A 44 15.581 20.680 -7.993 1.00 0.00 C ATOM 618 O GLN A 44 14.974 21.476 -8.711 1.00 0.00 O ATOM 619 CB GLN A 44 15.926 18.486 -9.143 1.00 0.00 C ATOM 620 CG GLN A 44 17.384 18.163 -8.855 1.00 0.00 C ATOM 621 CD GLN A 44 17.545 16.972 -7.931 1.00 0.00 C ATOM 622 OE1 GLN A 44 18.091 17.092 -6.834 1.00 0.00 O ATOM 623 NE2 GLN A 44 17.071 15.812 -8.372 1.00 0.00 N ATOM 0 H GLN A 44 13.351 19.457 -8.910 1.00 0.00 H new ATOM 0 HA GLN A 44 15.548 18.765 -7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.395 17.561 -9.368 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.870 19.111 -10.035 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.900 17.962 -9.794 1.00 0.00 H new ATOM 0 HG3 GLN A 44 17.864 19.033 -8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.626 15.758 -9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.152 14.975 -7.795 1.00 0.00 H new ATOM 632 N ILE A 45 16.572 21.043 -7.186 1.00 0.00 N ATOM 633 CA ILE A 45 17.016 22.428 -7.097 1.00 0.00 C ATOM 634 C ILE A 45 18.538 22.518 -7.068 1.00 0.00 C ATOM 635 O ILE A 45 19.227 21.514 -6.880 1.00 0.00 O ATOM 636 CB ILE A 45 16.448 23.121 -5.844 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.061 22.517 -4.579 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.932 23.002 -5.814 1.00 0.00 C ATOM 639 CD1 ILE A 45 16.536 23.132 -3.300 1.00 0.00 C ATOM 0 H ILE A 45 17.083 20.397 -6.584 1.00 0.00 H new ATOM 0 HA ILE A 45 16.642 22.937 -7.986 1.00 0.00 H new ATOM 0 HB ILE A 45 16.709 24.179 -5.882 1.00 0.00 H new ATOM 0 HG12 ILE A 45 16.863 21.445 -4.565 1.00 0.00 H new ATOM 0 HG13 ILE A 45 18.143 22.641 -4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.546 23.497 -4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.512 23.475 -6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.650 21.949 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.014 22.655 -2.444 1.00 0.00 H new ATOM 0 HD12 ILE A 45 16.758 24.199 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 45 15.458 22.985 -3.241 1.00 0.00 H new ATOM 651 N LYS A 46 19.058 23.726 -7.254 1.00 0.00 N ATOM 652 CA LYS A 46 20.499 23.949 -7.246 1.00 0.00 C ATOM 653 C LYS A 46 20.852 25.197 -6.443 1.00 0.00 C ATOM 654 O LYS A 46 20.310 26.276 -6.684 1.00 0.00 O ATOM 655 CB LYS A 46 21.022 24.086 -8.678 1.00 0.00 C ATOM 656 CG LYS A 46 22.475 24.522 -8.755 1.00 0.00 C ATOM 657 CD LYS A 46 23.383 23.575 -7.989 1.00 0.00 C ATOM 658 CE LYS A 46 23.323 22.164 -8.555 1.00 0.00 C ATOM 659 NZ LYS A 46 23.543 22.148 -10.028 1.00 0.00 N ATOM 0 H LYS A 46 18.503 24.567 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 46 20.972 23.088 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.911 23.130 -9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.406 24.808 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.788 24.564 -9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.575 25.530 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 46 24.409 23.941 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.091 23.559 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.077 21.545 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.353 21.722 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.731 21.174 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.695 22.509 -10.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 24.357 22.750 -10.264 1.00 0.00 H new ATOM 673 N VAL A 47 21.765 25.043 -5.490 1.00 0.00 N ATOM 674 CA VAL A 47 22.193 26.158 -4.654 1.00 0.00 C ATOM 675 C VAL A 47 23.562 26.673 -5.082 1.00 0.00 C ATOM 676 O VAL A 47 24.424 25.901 -5.500 1.00 0.00 O ATOM 677 CB VAL A 47 22.250 25.756 -3.168 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.688 26.934 -2.312 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.900 25.225 -2.708 1.00 0.00 C ATOM 0 H VAL A 47 22.223 24.157 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 47 21.455 26.950 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 47 22.987 24.961 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.722 26.631 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.678 27.264 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.978 27.753 -2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.958 24.946 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 47 20.142 25.998 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.632 24.351 -3.301 1.00 0.00 H new ATOM 689 N ASN A 48 23.756 27.984 -4.975 1.00 0.00 N ATOM 690 CA ASN A 48 25.021 28.603 -5.352 1.00 0.00 C ATOM 691 C ASN A 48 25.867 28.905 -4.118 1.00 0.00 C ATOM 692 O ASN A 48 25.489 28.570 -2.996 1.00 0.00 O ATOM 693 CB ASN A 48 24.769 29.890 -6.139 1.00 0.00 C ATOM 694 CG ASN A 48 24.587 31.094 -5.234 1.00 0.00 C ATOM 695 OD1 ASN A 48 25.459 31.960 -5.152 1.00 0.00 O ATOM 696 ND2 ASN A 48 23.451 31.154 -4.551 1.00 0.00 N ATOM 0 H ASN A 48 23.053 28.638 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 48 25.567 27.901 -5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.605 30.070 -6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.880 29.766 -6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 48 23.272 31.941 -3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 48 22.757 30.413 -4.650 1.00 0.00 H new ATOM 703 N ASP A 49 27.014 29.539 -4.336 1.00 0.00 N ATOM 704 CA ASP A 49 27.914 29.888 -3.242 1.00 0.00 C ATOM 705 C ASP A 49 27.183 30.694 -2.173 1.00 0.00 C ATOM 706 O ASP A 49 27.278 30.394 -0.984 1.00 0.00 O ATOM 707 CB ASP A 49 29.108 30.684 -3.771 1.00 0.00 C ATOM 708 CG ASP A 49 30.213 29.789 -4.297 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.180 29.449 -5.498 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.111 29.429 -3.507 1.00 0.00 O ATOM 0 H ASP A 49 27.343 29.822 -5.259 1.00 0.00 H new ATOM 0 HA ASP A 49 28.274 28.963 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 49 28.773 31.349 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.503 31.314 -2.974 1.00 0.00 H new ATOM 715 N GLU A 50 26.454 31.718 -2.606 1.00 0.00 N ATOM 716 CA GLU A 50 25.709 32.568 -1.685 1.00 0.00 C ATOM 717 C GLU A 50 24.812 31.731 -0.777 1.00 0.00 C ATOM 718 O GLU A 50 24.798 31.914 0.440 1.00 0.00 O ATOM 719 CB GLU A 50 24.864 33.581 -2.460 1.00 0.00 C ATOM 720 CG GLU A 50 24.911 34.984 -1.880 1.00 0.00 C ATOM 721 CD GLU A 50 25.580 35.978 -2.810 1.00 0.00 C ATOM 722 OE1 GLU A 50 26.588 35.609 -3.447 1.00 0.00 O ATOM 723 OE2 GLU A 50 25.094 37.125 -2.899 1.00 0.00 O ATOM 0 H GLU A 50 26.364 31.979 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 50 26.427 33.104 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.208 33.613 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.829 33.239 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 50 23.896 35.319 -1.666 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.447 34.963 -0.931 1.00 0.00 H new ATOM 730 N GLY A 51 24.064 30.810 -1.378 1.00 0.00 N ATOM 731 CA GLY A 51 23.175 29.959 -0.610 1.00 0.00 C ATOM 732 C GLY A 51 21.724 30.118 -1.019 1.00 0.00 C ATOM 733 O GLY A 51 20.817 29.863 -0.226 1.00 0.00 O ATOM 0 H GLY A 51 24.058 30.639 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.473 28.918 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.278 30.193 0.450 1.00 0.00 H new ATOM 737 N ILE A 52 21.503 30.541 -2.259 1.00 0.00 N ATOM 738 CA ILE A 52 20.152 30.734 -2.771 1.00 0.00 C ATOM 739 C ILE A 52 19.919 29.909 -4.032 1.00 0.00 C ATOM 740 O ILE A 52 20.803 29.790 -4.881 1.00 0.00 O ATOM 741 CB ILE A 52 19.875 32.217 -3.083 1.00 0.00 C ATOM 742 CG1 ILE A 52 19.723 33.014 -1.786 1.00 0.00 C ATOM 743 CG2 ILE A 52 18.627 32.352 -3.944 1.00 0.00 C ATOM 744 CD1 ILE A 52 21.040 33.317 -1.106 1.00 0.00 C ATOM 0 H ILE A 52 22.242 30.757 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 52 19.468 30.401 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 52 20.722 32.621 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 52 19.211 33.952 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 52 19.088 32.456 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 52 18.444 33.405 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 52 18.771 31.813 -4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 52 17.772 31.935 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.856 33.884 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.545 32.383 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 52 21.669 33.902 -1.776 1.00 0.00 H new ATOM 756 N ILE A 53 18.723 29.341 -4.148 1.00 0.00 N ATOM 757 CA ILE A 53 18.373 28.529 -5.307 1.00 0.00 C ATOM 758 C ILE A 53 18.446 29.346 -6.592 1.00 0.00 C ATOM 759 O ILE A 53 17.749 30.349 -6.742 1.00 0.00 O ATOM 760 CB ILE A 53 16.959 27.933 -5.170 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.864 27.074 -3.908 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.608 27.114 -6.403 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.901 25.974 -3.847 1.00 0.00 C ATOM 0 H ILE A 53 17.981 29.428 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 53 19.098 27.716 -5.354 1.00 0.00 H new ATOM 0 HB ILE A 53 16.243 28.750 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.974 27.715 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.870 26.629 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.606 26.699 -6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.640 27.753 -7.285 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.326 26.302 -6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.774 25.405 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.778 25.310 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.899 26.413 -3.868 1.00 0.00 H new ATOM 775 N GLU A 54 19.293 28.907 -7.518 1.00 0.00 N ATOM 776 CA GLU A 54 19.456 29.597 -8.792 1.00 0.00 C ATOM 777 C GLU A 54 18.874 28.773 -9.936 1.00 0.00 C ATOM 778 O GLU A 54 18.497 29.313 -10.976 1.00 0.00 O ATOM 779 CB GLU A 54 20.936 29.884 -9.057 1.00 0.00 C ATOM 780 CG GLU A 54 21.223 30.342 -10.477 1.00 0.00 C ATOM 781 CD GLU A 54 20.510 31.633 -10.829 1.00 0.00 C ATOM 782 OE1 GLU A 54 20.700 32.631 -10.103 1.00 0.00 O ATOM 783 OE2 GLU A 54 19.762 31.645 -11.829 1.00 0.00 O ATOM 0 H GLU A 54 19.876 28.077 -7.410 1.00 0.00 H new ATOM 0 HA GLU A 54 18.915 30.541 -8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.279 30.650 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.515 28.983 -8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.297 30.479 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.919 29.562 -11.175 1.00 0.00 H new ATOM 790 N ASP A 55 18.804 27.461 -9.736 1.00 0.00 N ATOM 791 CA ASP A 55 18.267 26.561 -10.750 1.00 0.00 C ATOM 792 C ASP A 55 17.310 25.550 -10.127 1.00 0.00 C ATOM 793 O ASP A 55 17.483 25.143 -8.978 1.00 0.00 O ATOM 794 CB ASP A 55 19.403 25.831 -11.468 1.00 0.00 C ATOM 795 CG ASP A 55 19.423 26.113 -12.957 1.00 0.00 C ATOM 796 OD1 ASP A 55 18.333 26.269 -13.546 1.00 0.00 O ATOM 797 OD2 ASP A 55 20.529 26.177 -13.534 1.00 0.00 O ATOM 0 H ASP A 55 19.112 26.998 -8.881 1.00 0.00 H new ATOM 0 HA ASP A 55 17.714 27.159 -11.475 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.356 26.130 -11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.301 24.758 -11.306 1.00 0.00 H new ATOM 802 N ALA A 56 16.300 25.149 -10.892 1.00 0.00 N ATOM 803 CA ALA A 56 15.316 24.185 -10.415 1.00 0.00 C ATOM 804 C ALA A 56 14.847 23.274 -11.545 1.00 0.00 C ATOM 805 O ALA A 56 14.264 23.737 -12.526 1.00 0.00 O ATOM 806 CB ALA A 56 14.131 24.906 -9.789 1.00 0.00 C ATOM 0 H ALA A 56 16.142 25.477 -11.845 1.00 0.00 H new ATOM 0 HA ALA A 56 15.791 23.563 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.404 24.174 -9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.475 25.509 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.664 25.552 -10.532 1.00 0.00 H new ATOM 812 N ARG A 57 15.105 21.979 -11.401 1.00 0.00 N ATOM 813 CA ARG A 57 14.711 21.004 -12.411 1.00 0.00 C ATOM 814 C ARG A 57 13.542 20.155 -11.920 1.00 0.00 C ATOM 815 O ARG A 57 13.537 19.687 -10.781 1.00 0.00 O ATOM 816 CB ARG A 57 15.894 20.104 -12.770 1.00 0.00 C ATOM 817 CG ARG A 57 16.454 20.359 -14.160 1.00 0.00 C ATOM 818 CD ARG A 57 15.401 20.131 -15.235 1.00 0.00 C ATOM 819 NE ARG A 57 15.208 21.314 -16.070 1.00 0.00 N ATOM 820 CZ ARG A 57 14.119 21.528 -16.800 1.00 0.00 C ATOM 821 NH1 ARG A 57 13.130 20.644 -16.796 1.00 0.00 N ATOM 822 NH2 ARG A 57 14.016 22.628 -17.535 1.00 0.00 N ATOM 0 H ARG A 57 15.585 21.580 -10.594 1.00 0.00 H new ATOM 0 HA ARG A 57 14.394 21.548 -13.301 1.00 0.00 H new ATOM 0 HB2 ARG A 57 16.686 20.250 -12.036 1.00 0.00 H new ATOM 0 HB3 ARG A 57 15.582 19.062 -12.699 1.00 0.00 H new ATOM 0 HG2 ARG A 57 16.824 21.382 -14.222 1.00 0.00 H new ATOM 0 HG3 ARG A 57 17.305 19.701 -14.337 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.698 19.290 -15.861 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.455 19.860 -14.765 1.00 0.00 H new ATOM 0 HE ARG A 57 15.950 22.014 -16.094 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.205 19.798 -16.232 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.295 20.811 -17.357 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.774 23.311 -17.540 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.179 22.791 -18.095 1.00 0.00 H new ATOM 836 N PHE A 58 12.554 19.960 -12.786 1.00 0.00 N ATOM 837 CA PHE A 58 11.379 19.169 -12.440 1.00 0.00 C ATOM 838 C PHE A 58 11.092 18.124 -13.515 1.00 0.00 C ATOM 839 O PHE A 58 11.453 18.297 -14.679 1.00 0.00 O ATOM 840 CB PHE A 58 10.161 20.077 -12.258 1.00 0.00 C ATOM 841 CG PHE A 58 8.929 19.345 -11.809 1.00 0.00 C ATOM 842 CD1 PHE A 58 8.878 18.749 -10.559 1.00 0.00 C ATOM 843 CD2 PHE A 58 7.822 19.252 -12.637 1.00 0.00 C ATOM 844 CE1 PHE A 58 7.746 18.075 -10.142 1.00 0.00 C ATOM 845 CE2 PHE A 58 6.687 18.580 -12.225 1.00 0.00 C ATOM 846 CZ PHE A 58 6.649 17.990 -10.977 1.00 0.00 C ATOM 0 H PHE A 58 12.543 20.339 -13.733 1.00 0.00 H new ATOM 0 HA PHE A 58 11.582 18.654 -11.501 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.400 20.851 -11.528 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.950 20.582 -13.201 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.733 18.812 -9.903 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.846 19.710 -13.615 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.719 17.616 -9.165 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.830 18.516 -12.879 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.763 17.463 -10.654 1.00 0.00 H new ATOM 856 N LYS A 59 10.439 17.037 -13.115 1.00 0.00 N ATOM 857 CA LYS A 59 10.101 15.963 -14.042 1.00 0.00 C ATOM 858 C LYS A 59 8.613 15.638 -13.978 1.00 0.00 C ATOM 859 O LYS A 59 7.955 15.882 -12.966 1.00 0.00 O ATOM 860 CB LYS A 59 10.922 14.711 -13.724 1.00 0.00 C ATOM 861 CG LYS A 59 12.097 14.500 -14.663 1.00 0.00 C ATOM 862 CD LYS A 59 11.872 13.309 -15.579 1.00 0.00 C ATOM 863 CE LYS A 59 12.608 12.075 -15.079 1.00 0.00 C ATOM 864 NZ LYS A 59 11.708 11.163 -14.318 1.00 0.00 N ATOM 0 H LYS A 59 10.134 16.877 -12.155 1.00 0.00 H new ATOM 0 HA LYS A 59 10.338 16.299 -15.051 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.293 14.780 -12.701 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.270 13.838 -13.769 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.250 15.397 -15.262 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.006 14.346 -14.081 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.805 13.096 -15.645 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.211 13.553 -16.586 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.036 11.539 -15.926 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.438 12.380 -14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.247 10.334 -13.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.319 11.666 -13.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.929 10.851 -14.933 1.00 0.00 H new ATOM 978 N ALA A 68 -0.533 23.040 -12.630 1.00 0.00 N ATOM 979 CA ALA A 68 -0.033 24.255 -12.001 1.00 0.00 C ATOM 980 C ALA A 68 0.630 23.948 -10.663 1.00 0.00 C ATOM 981 O ALA A 68 1.486 24.700 -10.196 1.00 0.00 O ATOM 982 CB ALA A 68 -1.163 25.257 -11.815 1.00 0.00 C ATOM 0 HA ALA A 68 0.720 24.691 -12.658 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.775 26.160 -11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.589 25.509 -12.786 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.935 24.821 -11.182 1.00 0.00 H new ATOM 988 N SER A 69 0.229 22.839 -10.050 1.00 0.00 N ATOM 989 CA SER A 69 0.781 22.435 -8.762 1.00 0.00 C ATOM 990 C SER A 69 2.305 22.506 -8.778 1.00 0.00 C ATOM 991 O SER A 69 2.922 23.043 -7.858 1.00 0.00 O ATOM 992 CB SER A 69 0.330 21.016 -8.412 1.00 0.00 C ATOM 993 OG SER A 69 -1.061 20.975 -8.143 1.00 0.00 O ATOM 0 H SER A 69 -0.476 22.204 -10.424 1.00 0.00 H new ATOM 0 HA SER A 69 0.410 23.124 -8.004 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.564 20.343 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.882 20.659 -7.543 1.00 0.00 H new ATOM 0 HG SER A 69 -1.325 20.057 -7.924 1.00 0.00 H new ATOM 999 N SER A 70 2.906 21.961 -9.831 1.00 0.00 N ATOM 1000 CA SER A 70 4.358 21.959 -9.967 1.00 0.00 C ATOM 1001 C SER A 70 4.846 23.259 -10.598 1.00 0.00 C ATOM 1002 O SER A 70 5.887 23.795 -10.216 1.00 0.00 O ATOM 1003 CB SER A 70 4.810 20.767 -10.812 1.00 0.00 C ATOM 1004 OG SER A 70 4.735 21.065 -12.196 1.00 0.00 O ATOM 0 H SER A 70 2.410 21.515 -10.603 1.00 0.00 H new ATOM 0 HA SER A 70 4.792 21.874 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.833 20.498 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.186 19.902 -10.589 1.00 0.00 H new ATOM 0 HG SER A 70 5.278 20.423 -12.699 1.00 0.00 H new ATOM 1010 N SER A 71 4.087 23.762 -11.566 1.00 0.00 N ATOM 1011 CA SER A 71 4.444 24.997 -12.254 1.00 0.00 C ATOM 1012 C SER A 71 4.690 26.123 -11.254 1.00 0.00 C ATOM 1013 O SER A 71 5.647 26.888 -11.386 1.00 0.00 O ATOM 1014 CB SER A 71 3.337 25.400 -13.230 1.00 0.00 C ATOM 1015 OG SER A 71 3.871 25.718 -14.503 1.00 0.00 O ATOM 0 H SER A 71 3.221 23.333 -11.892 1.00 0.00 H new ATOM 0 HA SER A 71 5.364 24.821 -12.812 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.619 24.586 -13.326 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.794 26.259 -12.835 1.00 0.00 H new ATOM 0 HG SER A 71 3.144 25.971 -15.109 1.00 0.00 H new ATOM 1021 N LEU A 72 3.821 26.219 -10.255 1.00 0.00 N ATOM 1022 CA LEU A 72 3.943 27.252 -9.231 1.00 0.00 C ATOM 1023 C LEU A 72 5.059 26.914 -8.247 1.00 0.00 C ATOM 1024 O LEU A 72 5.780 27.798 -7.784 1.00 0.00 O ATOM 1025 CB LEU A 72 2.619 27.414 -8.482 1.00 0.00 C ATOM 1026 CG LEU A 72 2.224 26.259 -7.560 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.614 26.566 -6.123 1.00 0.00 C ATOM 1028 CD2 LEU A 72 0.731 25.983 -7.662 1.00 0.00 C ATOM 0 H LEU A 72 3.024 25.595 -10.131 1.00 0.00 H new ATOM 0 HA LEU A 72 4.191 28.191 -9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.670 28.326 -7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.825 27.555 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 72 2.761 25.365 -7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.325 25.733 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.692 26.714 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.105 27.471 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.467 25.158 -7.000 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.175 26.874 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.479 25.718 -8.689 1.00 0.00 H new ATOM 1040 N VAL A 73 5.197 25.630 -7.934 1.00 0.00 N ATOM 1041 CA VAL A 73 6.227 25.175 -7.009 1.00 0.00 C ATOM 1042 C VAL A 73 7.621 25.448 -7.561 1.00 0.00 C ATOM 1043 O VAL A 73 8.520 25.867 -6.830 1.00 0.00 O ATOM 1044 CB VAL A 73 6.090 23.669 -6.712 1.00 0.00 C ATOM 1045 CG1 VAL A 73 7.363 23.132 -6.075 1.00 0.00 C ATOM 1046 CG2 VAL A 73 4.887 23.410 -5.819 1.00 0.00 C ATOM 0 H VAL A 73 4.608 24.886 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 73 6.090 25.734 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 73 5.934 23.143 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.247 22.067 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.202 23.283 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.553 23.660 -5.141 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.805 22.342 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.010 23.947 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.982 23.756 -6.318 1.00 0.00 H new ATOM 1056 N THR A 74 7.797 25.209 -8.857 1.00 0.00 N ATOM 1057 CA THR A 74 9.082 25.429 -9.508 1.00 0.00 C ATOM 1058 C THR A 74 9.517 26.885 -9.388 1.00 0.00 C ATOM 1059 O THR A 74 10.540 27.187 -8.774 1.00 0.00 O ATOM 1060 CB THR A 74 9.030 25.041 -10.998 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.749 25.371 -11.546 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.298 23.555 -11.180 1.00 0.00 C ATOM 0 H THR A 74 7.065 24.863 -9.477 1.00 0.00 H new ATOM 0 HA THR A 74 9.807 24.793 -9.000 1.00 0.00 H new ATOM 0 HB THR A 74 9.804 25.600 -11.523 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.078 24.740 -11.212 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.256 23.305 -12.240 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.286 23.313 -10.789 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.544 22.981 -10.642 1.00 0.00 H new ATOM 1070 N GLU A 75 8.734 27.782 -9.978 1.00 0.00 N ATOM 1071 CA GLU A 75 9.040 29.207 -9.936 1.00 0.00 C ATOM 1072 C GLU A 75 9.253 29.676 -8.500 1.00 0.00 C ATOM 1073 O GLU A 75 9.996 30.625 -8.249 1.00 0.00 O ATOM 1074 CB GLU A 75 7.913 30.013 -10.585 1.00 0.00 C ATOM 1075 CG GLU A 75 6.536 29.689 -10.031 1.00 0.00 C ATOM 1076 CD GLU A 75 5.419 30.336 -10.828 1.00 0.00 C ATOM 1077 OE1 GLU A 75 5.341 30.086 -12.049 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.625 31.092 -10.231 1.00 0.00 O ATOM 0 H GLU A 75 7.884 27.548 -10.490 1.00 0.00 H new ATOM 0 HA GLU A 75 9.962 29.371 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.111 31.076 -10.445 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.916 29.827 -11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.395 28.608 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.478 30.022 -8.995 1.00 0.00 H new ATOM 1085 N TRP A 76 8.595 29.005 -7.561 1.00 0.00 N ATOM 1086 CA TRP A 76 8.711 29.353 -6.149 1.00 0.00 C ATOM 1087 C TRP A 76 10.124 29.090 -5.638 1.00 0.00 C ATOM 1088 O TRP A 76 10.741 29.954 -5.017 1.00 0.00 O ATOM 1089 CB TRP A 76 7.700 28.559 -5.322 1.00 0.00 C ATOM 1090 CG TRP A 76 6.666 29.420 -4.661 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.324 29.179 -4.588 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.891 30.660 -3.982 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.700 30.195 -3.905 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.640 31.115 -3.522 1.00 0.00 C ATOM 1095 CE3 TRP A 76 8.027 31.429 -3.717 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.496 32.305 -2.813 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.882 32.610 -3.014 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.625 33.038 -2.568 1.00 0.00 C ATOM 0 H TRP A 76 7.976 28.217 -7.752 1.00 0.00 H new ATOM 0 HA TRP A 76 8.499 30.417 -6.044 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.202 27.836 -5.967 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.232 27.991 -4.558 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.826 28.316 -5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.700 30.254 -3.714 1.00 0.00 H new ATOM 0 HE3 TRP A 76 9.001 31.106 -4.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.528 32.637 -2.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.753 33.213 -2.805 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.545 33.965 -2.020 1.00 0.00 H new ATOM 1109 N VAL A 77 10.630 27.890 -5.904 1.00 0.00 N ATOM 1110 CA VAL A 77 11.971 27.513 -5.472 1.00 0.00 C ATOM 1111 C VAL A 77 13.035 28.183 -6.335 1.00 0.00 C ATOM 1112 O VAL A 77 14.124 28.505 -5.859 1.00 0.00 O ATOM 1113 CB VAL A 77 12.169 25.987 -5.525 1.00 0.00 C ATOM 1114 CG1 VAL A 77 11.305 25.299 -4.478 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.858 25.457 -6.916 1.00 0.00 C ATOM 0 H VAL A 77 10.132 27.162 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 77 12.078 27.850 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 77 13.213 25.766 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.458 24.221 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.581 25.657 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 77 10.256 25.526 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 77 12.003 24.377 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.824 25.688 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.524 25.925 -7.641 1.00 0.00 H new ATOM 1125 N LYS A 78 12.712 28.391 -7.607 1.00 0.00 N ATOM 1126 CA LYS A 78 13.639 29.024 -8.538 1.00 0.00 C ATOM 1127 C LYS A 78 13.903 30.473 -8.141 1.00 0.00 C ATOM 1128 O LYS A 78 13.191 31.382 -8.566 1.00 0.00 O ATOM 1129 CB LYS A 78 13.082 28.967 -9.962 1.00 0.00 C ATOM 1130 CG LYS A 78 13.724 27.893 -10.823 1.00 0.00 C ATOM 1131 CD LYS A 78 14.083 28.424 -12.201 1.00 0.00 C ATOM 1132 CE LYS A 78 12.943 28.227 -13.189 1.00 0.00 C ATOM 1133 NZ LYS A 78 13.387 28.434 -14.595 1.00 0.00 N ATOM 0 H LYS A 78 11.815 28.130 -8.017 1.00 0.00 H new ATOM 0 HA LYS A 78 14.582 28.478 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.007 28.790 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.225 29.937 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.622 27.519 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.041 27.049 -10.924 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.326 29.484 -12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.975 27.916 -12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.538 27.221 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.136 28.922 -12.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.582 28.291 -15.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.750 29.402 -14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.139 27.754 -14.825 1.00 0.00 H new ATOM 1147 N GLY A 79 14.932 30.681 -7.326 1.00 0.00 N ATOM 1148 CA GLY A 79 15.272 32.022 -6.887 1.00 0.00 C ATOM 1149 C GLY A 79 14.811 32.304 -5.471 1.00 0.00 C ATOM 1150 O GLY A 79 14.332 33.398 -5.171 1.00 0.00 O ATOM 0 H GLY A 79 15.537 29.945 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.352 32.158 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.821 32.748 -7.564 1.00 0.00 H new ATOM 1154 N LYS A 80 14.953 31.313 -4.597 1.00 0.00 N ATOM 1155 CA LYS A 80 14.548 31.458 -3.203 1.00 0.00 C ATOM 1156 C LYS A 80 15.534 30.758 -2.274 1.00 0.00 C ATOM 1157 O LYS A 80 15.845 29.581 -2.457 1.00 0.00 O ATOM 1158 CB LYS A 80 13.143 30.887 -2.998 1.00 0.00 C ATOM 1159 CG LYS A 80 12.267 31.737 -2.094 1.00 0.00 C ATOM 1160 CD LYS A 80 11.498 32.782 -2.884 1.00 0.00 C ATOM 1161 CE LYS A 80 11.109 33.965 -2.012 1.00 0.00 C ATOM 1162 NZ LYS A 80 10.843 35.187 -2.821 1.00 0.00 N ATOM 0 H LYS A 80 15.346 30.401 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 80 14.541 32.521 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.657 30.783 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.225 29.886 -2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.566 31.097 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.886 32.229 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.107 33.129 -3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.601 32.331 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.221 33.713 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.908 34.168 -1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.581 35.971 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.698 35.443 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.064 35.001 -3.484 1.00 0.00 H new ATOM 1176 N SER A 81 16.021 31.488 -1.277 1.00 0.00 N ATOM 1177 CA SER A 81 16.974 30.938 -0.320 1.00 0.00 C ATOM 1178 C SER A 81 16.434 29.656 0.308 1.00 0.00 C ATOM 1179 O SER A 81 15.292 29.264 0.064 1.00 0.00 O ATOM 1180 CB SER A 81 17.283 31.963 0.772 1.00 0.00 C ATOM 1181 OG SER A 81 16.132 32.243 1.550 1.00 0.00 O ATOM 0 H SER A 81 15.771 32.463 -1.110 1.00 0.00 H new ATOM 0 HA SER A 81 17.893 30.701 -0.856 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.077 31.585 1.415 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.651 32.883 0.318 1.00 0.00 H new ATOM 0 HG SER A 81 16.357 32.900 2.242 1.00 0.00 H new ATOM 1187 N LEU A 82 17.263 29.007 1.118 1.00 0.00 N ATOM 1188 CA LEU A 82 16.871 27.769 1.782 1.00 0.00 C ATOM 1189 C LEU A 82 15.757 28.023 2.793 1.00 0.00 C ATOM 1190 O LEU A 82 14.712 27.373 2.756 1.00 0.00 O ATOM 1191 CB LEU A 82 18.076 27.139 2.482 1.00 0.00 C ATOM 1192 CG LEU A 82 19.370 27.082 1.670 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.526 26.612 2.539 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.203 26.169 0.464 1.00 0.00 C ATOM 0 H LEU A 82 18.211 29.318 1.331 1.00 0.00 H new ATOM 0 HA LEU A 82 16.499 27.081 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.270 27.696 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.810 26.124 2.776 1.00 0.00 H new ATOM 0 HG LEU A 82 19.596 28.087 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.438 26.578 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.661 27.304 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.308 25.617 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.134 26.140 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 82 18.952 25.163 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.403 26.549 -0.172 1.00 0.00 H new ATOM 1206 N ASP A 83 15.987 28.973 3.693 1.00 0.00 N ATOM 1207 CA ASP A 83 15.001 29.315 4.712 1.00 0.00 C ATOM 1208 C ASP A 83 13.683 29.741 4.072 1.00 0.00 C ATOM 1209 O ASP A 83 12.615 29.265 4.454 1.00 0.00 O ATOM 1210 CB ASP A 83 15.531 30.434 5.609 1.00 0.00 C ATOM 1211 CG ASP A 83 16.305 29.904 6.800 1.00 0.00 C ATOM 1212 OD1 ASP A 83 15.866 28.895 7.391 1.00 0.00 O ATOM 1213 OD2 ASP A 83 17.349 30.497 7.141 1.00 0.00 O ATOM 0 H ASP A 83 16.847 29.520 3.738 1.00 0.00 H new ATOM 0 HA ASP A 83 14.820 28.428 5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.175 31.090 5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.696 31.039 5.962 1.00 0.00 H new ATOM 1218 N GLU A 84 13.768 30.640 3.096 1.00 0.00 N ATOM 1219 CA GLU A 84 12.581 31.131 2.406 1.00 0.00 C ATOM 1220 C GLU A 84 11.753 29.972 1.857 1.00 0.00 C ATOM 1221 O GLU A 84 10.570 29.840 2.168 1.00 0.00 O ATOM 1222 CB GLU A 84 12.980 32.071 1.266 1.00 0.00 C ATOM 1223 CG GLU A 84 13.145 33.518 1.701 1.00 0.00 C ATOM 1224 CD GLU A 84 11.832 34.159 2.106 1.00 0.00 C ATOM 1225 OE1 GLU A 84 10.771 33.552 1.851 1.00 0.00 O ATOM 1226 OE2 GLU A 84 11.866 35.269 2.678 1.00 0.00 O ATOM 0 H GLU A 84 14.645 31.042 2.766 1.00 0.00 H new ATOM 0 HA GLU A 84 11.974 31.680 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.916 31.722 0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.224 32.020 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.841 33.565 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.588 34.090 0.886 1.00 0.00 H new ATOM 1233 N ALA A 85 12.384 29.137 1.039 1.00 0.00 N ATOM 1234 CA ALA A 85 11.708 27.989 0.448 1.00 0.00 C ATOM 1235 C ALA A 85 11.164 27.058 1.526 1.00 0.00 C ATOM 1236 O ALA A 85 10.033 26.581 1.433 1.00 0.00 O ATOM 1237 CB ALA A 85 12.654 27.235 -0.475 1.00 0.00 C ATOM 0 H ALA A 85 13.363 29.234 0.770 1.00 0.00 H new ATOM 0 HA ALA A 85 10.865 28.357 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 85 12.135 26.380 -0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.990 27.898 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.516 26.886 0.094 1.00 0.00 H new ATOM 1243 N GLN A 86 11.976 26.803 2.547 1.00 0.00 N ATOM 1244 CA GLN A 86 11.576 25.927 3.641 1.00 0.00 C ATOM 1245 C GLN A 86 10.485 26.576 4.487 1.00 0.00 C ATOM 1246 O GLN A 86 9.851 25.918 5.311 1.00 0.00 O ATOM 1247 CB GLN A 86 12.782 25.586 4.517 1.00 0.00 C ATOM 1248 CG GLN A 86 12.745 24.175 5.081 1.00 0.00 C ATOM 1249 CD GLN A 86 12.827 24.148 6.595 1.00 0.00 C ATOM 1250 OE1 GLN A 86 13.707 23.507 7.169 1.00 0.00 O ATOM 1251 NE2 GLN A 86 11.908 24.848 7.250 1.00 0.00 N ATOM 0 H GLN A 86 12.915 27.191 2.639 1.00 0.00 H new ATOM 0 HA GLN A 86 11.178 25.008 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.693 25.710 3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 86 12.834 26.297 5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.825 23.685 4.762 1.00 0.00 H new ATOM 0 HG3 GLN A 86 13.573 23.600 4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.197 25.365 6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.914 24.869 8.270 1.00 0.00 H new ATOM 1260 N ALA A 87 10.274 27.872 4.277 1.00 0.00 N ATOM 1261 CA ALA A 87 9.259 28.610 5.019 1.00 0.00 C ATOM 1262 C ALA A 87 7.890 28.475 4.361 1.00 0.00 C ATOM 1263 O ALA A 87 6.862 28.737 4.985 1.00 0.00 O ATOM 1264 CB ALA A 87 9.650 30.075 5.133 1.00 0.00 C ATOM 0 H ALA A 87 10.792 28.432 3.600 1.00 0.00 H new ATOM 0 HA ALA A 87 9.195 28.184 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 87 8.883 30.614 5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.603 30.158 5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.745 30.505 4.136 1.00 0.00 H new ATOM 1270 N ILE A 88 7.885 28.066 3.096 1.00 0.00 N ATOM 1271 CA ILE A 88 6.643 27.897 2.354 1.00 0.00 C ATOM 1272 C ILE A 88 5.652 27.034 3.128 1.00 0.00 C ATOM 1273 O ILE A 88 6.040 26.093 3.821 1.00 0.00 O ATOM 1274 CB ILE A 88 6.893 27.258 0.975 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.855 28.122 0.156 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.579 27.070 0.232 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.450 27.402 -1.034 1.00 0.00 C ATOM 0 H ILE A 88 8.727 27.846 2.565 1.00 0.00 H new ATOM 0 HA ILE A 88 6.222 28.893 2.214 1.00 0.00 H new ATOM 0 HB ILE A 88 7.348 26.278 1.122 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.326 29.009 -0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.662 28.466 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.772 26.618 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.923 26.419 0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.098 28.038 0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 88 9.121 28.075 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 88 9.007 26.530 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.651 27.082 -1.702 1.00 0.00 H new ATOM 1289 N LYS A 89 4.370 27.360 3.006 1.00 0.00 N ATOM 1290 CA LYS A 89 3.322 26.614 3.692 1.00 0.00 C ATOM 1291 C LYS A 89 2.319 26.042 2.694 1.00 0.00 C ATOM 1292 O LYS A 89 1.913 26.720 1.751 1.00 0.00 O ATOM 1293 CB LYS A 89 2.600 27.515 4.696 1.00 0.00 C ATOM 1294 CG LYS A 89 3.530 28.172 5.701 1.00 0.00 C ATOM 1295 CD LYS A 89 4.323 27.140 6.485 1.00 0.00 C ATOM 1296 CE LYS A 89 5.149 27.789 7.585 1.00 0.00 C ATOM 1297 NZ LYS A 89 4.632 27.452 8.940 1.00 0.00 N ATOM 0 H LYS A 89 4.031 28.137 2.438 1.00 0.00 H new ATOM 0 HA LYS A 89 3.790 25.787 4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.059 28.290 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.857 26.925 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.216 28.840 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.948 28.785 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.641 26.411 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.981 26.594 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.186 27.463 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.143 28.871 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.222 27.913 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.651 27.785 9.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.661 26.421 9.076 1.00 0.00 H new ATOM 1311 N ASN A 90 1.924 24.792 2.910 1.00 0.00 N ATOM 1312 CA ASN A 90 0.968 24.130 2.029 1.00 0.00 C ATOM 1313 C ASN A 90 -0.242 25.023 1.770 1.00 0.00 C ATOM 1314 O ASN A 90 -0.745 25.096 0.649 1.00 0.00 O ATOM 1315 CB ASN A 90 0.515 22.803 2.641 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.429 22.998 3.812 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -1.631 22.758 3.701 1.00 0.00 O ATOM 1318 ND2 ASN A 90 0.114 23.436 4.942 1.00 0.00 N ATOM 0 H ASN A 90 2.250 24.217 3.687 1.00 0.00 H new ATOM 0 HA ASN A 90 1.463 23.934 1.078 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.022 22.203 1.876 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.389 22.242 2.972 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.471 23.587 5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 90 1.116 23.622 4.988 1.00 0.00 H new ATOM 1325 N THR A 91 -0.704 25.702 2.815 1.00 0.00 N ATOM 1326 CA THR A 91 -1.854 26.590 2.702 1.00 0.00 C ATOM 1327 C THR A 91 -1.720 27.512 1.495 1.00 0.00 C ATOM 1328 O THR A 91 -2.707 27.829 0.831 1.00 0.00 O ATOM 1329 CB THR A 91 -2.031 27.445 3.970 1.00 0.00 C ATOM 1330 OG1 THR A 91 -3.007 28.467 3.740 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.712 28.081 4.382 1.00 0.00 C ATOM 0 H THR A 91 -0.299 25.654 3.750 1.00 0.00 H new ATOM 0 HA THR A 91 -2.732 25.956 2.576 1.00 0.00 H new ATOM 0 HB THR A 91 -2.370 26.794 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.115 29.005 4.552 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.862 28.680 5.280 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.021 27.300 4.585 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.348 28.719 3.577 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.493 27.939 1.216 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.230 28.824 0.088 1.00 0.00 C ATOM 1341 C ASP A 92 -0.367 28.074 -1.234 1.00 0.00 C ATOM 1342 O ASP A 92 -0.922 28.598 -2.201 1.00 0.00 O ATOM 1343 CB ASP A 92 1.170 29.429 0.202 1.00 0.00 C ATOM 1344 CG ASP A 92 1.273 30.442 1.325 1.00 0.00 C ATOM 1345 OD1 ASP A 92 0.220 30.826 1.876 1.00 0.00 O ATOM 1346 OD2 ASP A 92 2.407 30.852 1.653 1.00 0.00 O ATOM 0 H ASP A 92 0.335 27.686 1.756 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.967 29.627 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.895 28.632 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.434 29.908 -0.741 1.00 0.00 H new ATOM 1351 N ILE A 93 0.143 26.848 -1.269 1.00 0.00 N ATOM 1352 CA ILE A 93 0.077 26.028 -2.472 1.00 0.00 C ATOM 1353 C ILE A 93 -1.345 25.540 -2.727 1.00 0.00 C ATOM 1354 O ILE A 93 -1.738 25.313 -3.871 1.00 0.00 O ATOM 1355 CB ILE A 93 1.016 24.810 -2.375 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.477 25.265 -2.364 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.761 23.853 -3.529 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.949 25.749 -1.011 1.00 0.00 C ATOM 0 H ILE A 93 0.606 26.401 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 93 0.397 26.658 -3.302 1.00 0.00 H new ATOM 0 HB ILE A 93 0.812 24.285 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.109 24.437 -2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.605 26.066 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.432 22.998 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.273 23.509 -3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.941 24.366 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.993 26.055 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.341 26.597 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.853 24.944 -0.283 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.113 25.383 -1.654 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.493 24.926 -1.762 1.00 0.00 C ATOM 1372 C ALA A 94 -4.390 26.020 -2.329 1.00 0.00 C ATOM 1373 O ALA A 94 -5.082 25.813 -3.325 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.006 24.472 -0.403 1.00 0.00 C ATOM 0 H ALA A 94 -1.803 25.566 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.517 24.080 -2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.038 24.133 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.388 23.653 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.961 25.304 0.300 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.374 27.185 -1.688 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.188 28.311 -2.130 1.00 0.00 C ATOM 1382 C GLU A 95 -4.684 28.857 -3.463 1.00 0.00 C ATOM 1383 O GLU A 95 -5.439 29.464 -4.222 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.180 29.420 -1.076 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.583 28.945 0.310 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.075 28.702 0.433 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.527 27.593 0.081 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.790 29.623 0.881 1.00 0.00 O ATOM 0 H GLU A 95 -3.807 27.373 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.210 27.956 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.182 29.855 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.858 30.213 -1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.048 28.024 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.278 29.687 1.047 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.402 28.638 -3.739 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.797 29.110 -4.979 1.00 0.00 C ATOM 1397 C GLU A 96 -3.624 28.678 -6.186 1.00 0.00 C ATOM 1398 O GLU A 96 -3.875 29.470 -7.096 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.368 28.579 -5.109 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.302 29.627 -4.837 1.00 0.00 C ATOM 1401 CD GLU A 96 0.016 30.467 -6.058 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.814 31.328 -6.418 1.00 0.00 O ATOM 1403 OE2 GLU A 96 1.094 30.263 -6.655 1.00 0.00 O ATOM 0 H GLU A 96 -2.763 28.137 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.771 30.199 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.234 27.748 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.227 28.182 -6.114 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.636 30.279 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.607 29.134 -4.493 1.00 0.00 H new ATOM 1410 N LEU A 97 -4.044 27.418 -6.188 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.842 26.879 -7.284 1.00 0.00 C ATOM 1412 C LEU A 97 -6.214 26.431 -6.789 1.00 0.00 C ATOM 1413 O LEU A 97 -7.012 25.889 -7.552 1.00 0.00 O ATOM 1414 CB LEU A 97 -4.115 25.704 -7.941 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.593 25.818 -8.023 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.981 24.497 -8.461 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -2.192 26.935 -8.977 1.00 0.00 C ATOM 0 H LEU A 97 -3.845 26.750 -5.443 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.982 27.669 -8.022 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.362 24.796 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.505 25.580 -8.951 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.213 26.060 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.897 24.598 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.239 23.720 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.368 24.224 -9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.105 27.002 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.585 26.723 -9.971 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.599 27.881 -8.621 1.00 0.00 H new ATOM 1429 N GLU A 98 -6.479 26.662 -5.507 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.755 26.282 -4.912 1.00 0.00 C ATOM 1431 C GLU A 98 -8.078 24.820 -5.202 1.00 0.00 C ATOM 1432 O GLU A 98 -9.075 24.510 -5.856 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.877 27.179 -5.441 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.838 28.593 -4.888 1.00 0.00 C ATOM 1435 CD GLU A 98 -10.047 29.412 -5.295 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.287 29.553 -6.513 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -10.754 29.913 -4.396 1.00 0.00 O ATOM 0 H GLU A 98 -5.828 27.110 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.675 26.410 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.815 27.221 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.838 26.728 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.781 28.552 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.933 29.090 -5.236 1.00 0.00 H new ATOM 1444 N LEU A 99 -7.227 23.924 -4.714 1.00 0.00 N ATOM 1445 CA LEU A 99 -7.420 22.493 -4.921 1.00 0.00 C ATOM 1446 C LEU A 99 -8.752 22.033 -4.337 1.00 0.00 C ATOM 1447 O LEU A 99 -9.254 22.589 -3.360 1.00 0.00 O ATOM 1448 CB LEU A 99 -6.272 21.706 -4.286 1.00 0.00 C ATOM 1449 CG LEU A 99 -5.016 21.541 -5.143 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -5.291 20.618 -6.319 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -4.521 22.895 -5.629 1.00 0.00 C ATOM 0 H LEU A 99 -6.397 24.163 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.431 22.305 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.991 22.200 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.640 20.715 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.236 21.091 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.386 20.512 -6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.598 19.640 -5.950 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.086 21.039 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.627 22.759 -6.237 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.297 23.373 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.284 23.525 -4.772 1.00 0.00 H new ATOM 1463 N PRO A 100 -9.337 20.991 -4.946 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.616 20.431 -4.501 1.00 0.00 C ATOM 1465 C PRO A 100 -10.500 19.709 -3.163 1.00 0.00 C ATOM 1466 O PRO A 100 -9.426 19.255 -2.767 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.976 19.442 -5.613 1.00 0.00 C ATOM 1468 CG PRO A 100 -9.670 19.061 -6.218 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.794 20.279 -6.115 1.00 0.00 C ATOM 0 HA PRO A 100 -11.366 21.206 -4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.497 18.571 -5.215 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.636 19.899 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.227 18.216 -5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.795 18.757 -7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.747 20.010 -5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.846 20.889 -7.017 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.629 19.599 -2.448 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.679 18.932 -1.144 1.00 0.00 C ATOM 1479 C PRO A 101 -11.488 17.423 -1.257 1.00 0.00 C ATOM 1480 O PRO A 101 -11.345 16.728 -0.251 1.00 0.00 O ATOM 1481 CB PRO A 101 -13.085 19.255 -0.633 1.00 0.00 C ATOM 1482 CG PRO A 101 -13.889 19.499 -1.864 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.945 20.117 -2.859 1.00 0.00 C ATOM 0 HA PRO A 101 -10.882 19.271 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.494 18.429 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.079 20.131 0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.307 18.568 -2.248 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.728 20.163 -1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.190 19.826 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.978 21.206 -2.821 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.485 16.922 -2.488 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.310 15.495 -2.732 1.00 0.00 C ATOM 1493 C VAL A 102 -9.970 15.006 -2.193 1.00 0.00 C ATOM 1494 O VAL A 102 -9.887 13.944 -1.576 1.00 0.00 O ATOM 1495 CB VAL A 102 -11.396 15.168 -4.235 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -12.806 15.405 -4.753 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -10.386 15.993 -5.018 1.00 0.00 C ATOM 0 H VAL A 102 -11.602 17.483 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.118 14.983 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.156 14.114 -4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.847 15.169 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.504 14.767 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -13.078 16.450 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -10.461 15.749 -6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.593 17.053 -4.874 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.380 15.768 -4.664 1.00 0.00 H new ATOM 1507 N LYS A 103 -8.922 15.788 -2.430 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.585 15.437 -1.967 1.00 0.00 C ATOM 1509 C LYS A 103 -6.688 16.669 -1.911 1.00 0.00 C ATOM 1510 O LYS A 103 -5.656 16.728 -2.580 1.00 0.00 O ATOM 1511 CB LYS A 103 -6.965 14.383 -2.887 1.00 0.00 C ATOM 1512 CG LYS A 103 -5.780 13.659 -2.271 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.225 12.459 -1.452 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.256 12.779 0.034 1.00 0.00 C ATOM 1515 NZ LYS A 103 -4.983 12.404 0.710 1.00 0.00 N ATOM 0 H LYS A 103 -8.973 16.670 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.672 15.027 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.728 13.652 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.646 14.863 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.102 13.332 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.222 14.347 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.216 12.142 -1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.548 11.624 -1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.440 13.844 0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.085 12.249 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.045 12.638 1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.820 11.383 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.194 12.929 0.281 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.087 17.650 -1.107 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.317 18.879 -0.962 1.00 0.00 C ATOM 1531 C ILE A 104 -4.867 18.580 -0.599 1.00 0.00 C ATOM 1532 O ILE A 104 -3.973 19.391 -0.846 1.00 0.00 O ATOM 1533 CB ILE A 104 -6.924 19.800 0.113 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.340 20.222 -0.286 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.041 21.021 0.324 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -8.990 21.164 0.702 1.00 0.00 C ATOM 0 H ILE A 104 -7.939 17.617 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.350 19.387 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.980 19.250 1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.305 20.702 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.960 19.332 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.483 21.662 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.050 20.702 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -5.956 21.575 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.991 21.421 0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -9.057 20.680 1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.392 22.071 0.788 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.638 17.408 -0.014 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.295 17.000 0.381 1.00 0.00 C ATOM 1550 C HIS A 105 -2.324 17.122 -0.789 1.00 0.00 C ATOM 1551 O HIS A 105 -1.116 17.258 -0.594 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.308 15.562 0.901 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.601 15.391 2.210 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -3.062 15.934 3.390 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -1.460 14.732 2.520 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -2.234 15.618 4.370 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -1.254 14.888 3.869 1.00 0.00 N ATOM 0 H HIS A 105 -5.365 16.725 0.197 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.960 17.663 1.178 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.342 15.233 1.010 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -2.844 14.912 0.159 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.829 14.185 1.834 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -2.341 15.908 5.405 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.471 14.503 4.398 1.00 0.00 H new ATOM 1565 N CYS A 106 -2.860 17.071 -2.004 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.040 17.174 -3.206 1.00 0.00 C ATOM 1567 C CYS A 106 -1.235 18.469 -3.206 1.00 0.00 C ATOM 1568 O CYS A 106 -0.231 18.588 -3.908 1.00 0.00 O ATOM 1569 CB CYS A 106 -2.920 17.106 -4.455 1.00 0.00 C ATOM 1570 SG CYS A 106 -2.765 15.563 -5.385 1.00 0.00 S ATOM 0 H CYS A 106 -3.858 16.959 -2.182 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.344 16.335 -3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -3.961 17.237 -4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.667 17.940 -5.110 1.00 0.00 H new ATOM 0 HG CYS A 106 -3.549 15.600 -6.421 1.00 0.00 H new ATOM 1576 N SER A 107 -1.683 19.438 -2.414 1.00 0.00 N ATOM 1577 CA SER A 107 -1.007 20.727 -2.326 1.00 0.00 C ATOM 1578 C SER A 107 0.086 20.696 -1.262 1.00 0.00 C ATOM 1579 O SER A 107 1.088 21.405 -1.366 1.00 0.00 O ATOM 1580 CB SER A 107 -2.014 21.834 -2.007 1.00 0.00 C ATOM 1581 OG SER A 107 -1.476 22.760 -1.078 1.00 0.00 O ATOM 0 H SER A 107 -2.511 19.355 -1.824 1.00 0.00 H new ATOM 0 HA SER A 107 -0.544 20.933 -3.291 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.291 22.353 -2.924 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.926 21.395 -1.602 1.00 0.00 H new ATOM 0 HG SER A 107 -1.561 22.400 -0.171 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.114 19.871 -0.241 1.00 0.00 N ATOM 1588 CA ILE A 108 0.854 19.746 0.841 1.00 0.00 C ATOM 1589 C ILE A 108 2.079 18.955 0.395 1.00 0.00 C ATOM 1590 O ILE A 108 3.158 19.082 0.974 1.00 0.00 O ATOM 1591 CB ILE A 108 0.235 19.060 2.074 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -0.872 19.933 2.668 1.00 0.00 C ATOM 1593 CG2 ILE A 108 1.307 18.774 3.115 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -2.022 19.139 3.248 1.00 0.00 C ATOM 0 H ILE A 108 -0.938 19.279 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 108 1.157 20.758 1.111 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.203 18.112 1.762 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.447 20.564 3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.254 20.598 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.854 18.289 3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.064 18.118 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.772 19.710 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.769 19.822 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.473 18.528 2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.653 18.494 4.045 1.00 0.00 H new ATOM 1606 N LEU A 109 1.905 18.139 -0.639 1.00 0.00 N ATOM 1607 CA LEU A 109 2.997 17.328 -1.166 1.00 0.00 C ATOM 1608 C LEU A 109 3.960 18.179 -1.988 1.00 0.00 C ATOM 1609 O LEU A 109 5.154 17.891 -2.056 1.00 0.00 O ATOM 1610 CB LEU A 109 2.444 16.190 -2.025 1.00 0.00 C ATOM 1611 CG LEU A 109 1.653 15.112 -1.283 1.00 0.00 C ATOM 1612 CD1 LEU A 109 1.277 13.980 -2.227 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.453 14.580 -0.103 1.00 0.00 C ATOM 0 H LEU A 109 1.018 18.022 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 109 3.543 16.906 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.801 16.621 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.278 15.712 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 109 0.735 15.560 -0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.715 13.223 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.664 14.372 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.182 13.534 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.874 13.814 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.388 14.149 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.671 15.396 0.586 1.00 0.00 H new ATOM 1625 N ALA A 110 3.432 19.229 -2.608 1.00 0.00 N ATOM 1626 CA ALA A 110 4.246 20.124 -3.422 1.00 0.00 C ATOM 1627 C ALA A 110 5.155 20.984 -2.550 1.00 0.00 C ATOM 1628 O ALA A 110 6.270 21.322 -2.946 1.00 0.00 O ATOM 1629 CB ALA A 110 3.357 21.004 -4.288 1.00 0.00 C ATOM 0 H ALA A 110 2.445 19.481 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 110 4.877 19.514 -4.069 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.978 21.667 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.753 20.377 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.703 21.599 -3.651 1.00 0.00 H new ATOM 1635 N GLU A 111 4.670 21.334 -1.362 1.00 0.00 N ATOM 1636 CA GLU A 111 5.440 22.156 -0.436 1.00 0.00 C ATOM 1637 C GLU A 111 6.343 21.290 0.438 1.00 0.00 C ATOM 1638 O GLU A 111 7.323 21.773 1.006 1.00 0.00 O ATOM 1639 CB GLU A 111 4.503 22.985 0.444 1.00 0.00 C ATOM 1640 CG GLU A 111 3.819 22.178 1.535 1.00 0.00 C ATOM 1641 CD GLU A 111 4.277 22.572 2.926 1.00 0.00 C ATOM 1642 OE1 GLU A 111 5.423 23.049 3.060 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.489 22.404 3.880 1.00 0.00 O ATOM 0 H GLU A 111 3.749 21.061 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 111 6.067 22.829 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.071 23.794 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.742 23.448 -0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.740 22.314 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 111 4.019 21.118 1.377 1.00 0.00 H new ATOM 1650 N ASP A 112 6.005 20.009 0.541 1.00 0.00 N ATOM 1651 CA ASP A 112 6.785 19.075 1.345 1.00 0.00 C ATOM 1652 C ASP A 112 7.964 18.525 0.548 1.00 0.00 C ATOM 1653 O ASP A 112 8.902 17.965 1.115 1.00 0.00 O ATOM 1654 CB ASP A 112 5.901 17.926 1.831 1.00 0.00 C ATOM 1655 CG ASP A 112 4.979 18.342 2.960 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.093 19.495 3.424 1.00 0.00 O ATOM 1657 OD2 ASP A 112 4.143 17.514 3.380 1.00 0.00 O ATOM 0 H ASP A 112 5.196 19.594 0.078 1.00 0.00 H new ATOM 0 HA ASP A 112 7.174 19.614 2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.305 17.553 0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.532 17.103 2.166 1.00 0.00 H new ATOM 1662 N ALA A 113 7.908 18.686 -0.770 1.00 0.00 N ATOM 1663 CA ALA A 113 8.971 18.207 -1.644 1.00 0.00 C ATOM 1664 C ALA A 113 10.093 19.233 -1.758 1.00 0.00 C ATOM 1665 O ALA A 113 11.272 18.888 -1.676 1.00 0.00 O ATOM 1666 CB ALA A 113 8.413 17.877 -3.021 1.00 0.00 C ATOM 0 H ALA A 113 7.137 19.145 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 113 9.387 17.300 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.218 17.520 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.652 17.102 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.969 18.772 -3.458 1.00 0.00 H new ATOM 1672 N ILE A 114 9.719 20.494 -1.948 1.00 0.00 N ATOM 1673 CA ILE A 114 10.694 21.569 -2.072 1.00 0.00 C ATOM 1674 C ILE A 114 11.613 21.621 -0.856 1.00 0.00 C ATOM 1675 O ILE A 114 12.813 21.867 -0.981 1.00 0.00 O ATOM 1676 CB ILE A 114 10.006 22.937 -2.241 1.00 0.00 C ATOM 1677 CG1 ILE A 114 9.030 23.186 -1.090 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.286 23.005 -3.579 1.00 0.00 C ATOM 1679 CD1 ILE A 114 9.558 24.145 -0.047 1.00 0.00 C ATOM 0 H ILE A 114 8.747 20.796 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 114 11.286 21.357 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 114 10.768 23.716 -2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.097 23.579 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.795 22.235 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.805 23.977 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.005 22.867 -4.387 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.532 22.220 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 114 8.813 24.274 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 114 10.475 23.744 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.767 25.109 -0.511 1.00 0.00 H new ATOM 1691 N LYS A 115 11.042 21.387 0.320 1.00 0.00 N ATOM 1692 CA LYS A 115 11.809 21.404 1.560 1.00 0.00 C ATOM 1693 C LYS A 115 12.702 20.172 1.665 1.00 0.00 C ATOM 1694 O LYS A 115 13.788 20.228 2.241 1.00 0.00 O ATOM 1695 CB LYS A 115 10.867 21.468 2.765 1.00 0.00 C ATOM 1696 CG LYS A 115 10.195 20.144 3.083 1.00 0.00 C ATOM 1697 CD LYS A 115 9.295 20.254 4.303 1.00 0.00 C ATOM 1698 CE LYS A 115 10.079 20.672 5.538 1.00 0.00 C ATOM 1699 NZ LYS A 115 9.557 20.024 6.772 1.00 0.00 N ATOM 0 H LYS A 115 10.050 21.183 0.441 1.00 0.00 H new ATOM 0 HA LYS A 115 12.443 22.291 1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 115 11.429 21.799 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.100 22.219 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 115 9.608 19.818 2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.955 19.382 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.505 20.980 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.810 19.295 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 115 11.129 20.411 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 115 10.031 21.755 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 10.118 20.335 7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.562 20.293 6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 9.626 18.991 6.677 1.00 0.00 H new ATOM 1713 N ALA A 116 12.237 19.061 1.103 1.00 0.00 N ATOM 1714 CA ALA A 116 12.995 17.816 1.130 1.00 0.00 C ATOM 1715 C ALA A 116 14.342 17.979 0.433 1.00 0.00 C ATOM 1716 O ALA A 116 15.299 17.267 0.737 1.00 0.00 O ATOM 1717 CB ALA A 116 12.195 16.696 0.482 1.00 0.00 C ATOM 0 H ALA A 116 11.339 18.998 0.623 1.00 0.00 H new ATOM 0 HA ALA A 116 13.183 17.556 2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.774 15.773 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.261 16.555 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.977 16.957 -0.554 1.00 0.00 H new ATOM 1723 N ALA A 117 14.409 18.919 -0.503 1.00 0.00 N ATOM 1724 CA ALA A 117 15.639 19.176 -1.242 1.00 0.00 C ATOM 1725 C ALA A 117 16.599 20.037 -0.428 1.00 0.00 C ATOM 1726 O ALA A 117 17.818 19.913 -0.555 1.00 0.00 O ATOM 1727 CB ALA A 117 15.326 19.844 -2.572 1.00 0.00 C ATOM 0 H ALA A 117 13.625 19.516 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 117 16.125 18.219 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 117 16.254 20.030 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.685 19.192 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.815 20.790 -2.393 1.00 0.00 H new ATOM 1733 N ILE A 118 16.042 20.908 0.407 1.00 0.00 N ATOM 1734 CA ILE A 118 16.850 21.789 1.241 1.00 0.00 C ATOM 1735 C ILE A 118 17.676 20.990 2.244 1.00 0.00 C ATOM 1736 O ILE A 118 18.798 21.369 2.580 1.00 0.00 O ATOM 1737 CB ILE A 118 15.975 22.801 2.004 1.00 0.00 C ATOM 1738 CG1 ILE A 118 15.123 23.611 1.025 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.843 23.722 2.847 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.013 24.392 1.693 1.00 0.00 C ATOM 0 H ILE A 118 15.035 21.022 0.524 1.00 0.00 H new ATOM 0 HA ILE A 118 17.519 22.331 0.573 1.00 0.00 H new ATOM 0 HB ILE A 118 15.308 22.253 2.670 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.767 24.303 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.688 22.935 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 118 16.210 24.431 3.380 1.00 0.00 H new ATOM 0 HG22 ILE A 118 17.410 23.130 3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.532 24.265 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.450 24.942 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.346 23.704 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.441 25.093 2.409 1.00 0.00 H new ATOM 1752 N ALA A 119 17.114 19.883 2.717 1.00 0.00 N ATOM 1753 CA ALA A 119 17.800 19.029 3.679 1.00 0.00 C ATOM 1754 C ALA A 119 18.806 18.118 2.984 1.00 0.00 C ATOM 1755 O ALA A 119 19.735 17.610 3.612 1.00 0.00 O ATOM 1756 CB ALA A 119 16.792 18.203 4.464 1.00 0.00 C ATOM 0 H ALA A 119 16.185 19.556 2.450 1.00 0.00 H new ATOM 0 HA ALA A 119 18.347 19.669 4.371 1.00 0.00 H new ATOM 0 HB1 ALA A 119 17.318 17.570 5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 119 16.114 18.868 4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 119 16.221 17.578 3.778 1.00 0.00 H new ATOM 1762 N ASP A 120 18.615 17.916 1.685 1.00 0.00 N ATOM 1763 CA ASP A 120 19.507 17.066 0.905 1.00 0.00 C ATOM 1764 C ASP A 120 20.819 17.784 0.606 1.00 0.00 C ATOM 1765 O ASP A 120 21.891 17.179 0.637 1.00 0.00 O ATOM 1766 CB ASP A 120 18.832 16.645 -0.402 1.00 0.00 C ATOM 1767 CG ASP A 120 19.060 15.182 -0.727 1.00 0.00 C ATOM 1768 OD1 ASP A 120 20.228 14.741 -0.686 1.00 0.00 O ATOM 1769 OD2 ASP A 120 18.072 14.479 -1.024 1.00 0.00 O ATOM 0 H ASP A 120 17.851 18.329 1.150 1.00 0.00 H new ATOM 0 HA ASP A 120 19.727 16.176 1.494 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.761 16.836 -0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.213 17.259 -1.218 1.00 0.00 H new ATOM 1774 N TYR A 121 20.726 19.077 0.315 1.00 0.00 N ATOM 1775 CA TYR A 121 21.905 19.878 0.006 1.00 0.00 C ATOM 1776 C TYR A 121 22.816 19.998 1.224 1.00 0.00 C ATOM 1777 O TYR A 121 24.021 19.764 1.139 1.00 0.00 O ATOM 1778 CB TYR A 121 21.491 21.269 -0.474 1.00 0.00 C ATOM 1779 CG TYR A 121 22.649 22.231 -0.614 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.843 21.831 -1.201 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.548 23.541 -0.160 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.904 22.707 -1.329 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.603 24.423 -0.286 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.779 24.002 -0.871 1.00 0.00 C ATOM 1785 OH TYR A 121 25.833 24.877 -0.999 1.00 0.00 O ATOM 0 H TYR A 121 19.846 19.593 0.287 1.00 0.00 H new ATOM 0 HA TYR A 121 22.456 19.376 -0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.988 21.177 -1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.767 21.685 0.226 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.944 20.819 -1.563 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.629 23.875 0.299 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.826 22.379 -1.785 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.508 25.438 0.072 1.00 0.00 H new ATOM 0 HH TYR A 121 25.582 25.748 -0.628 1.00 0.00 H new ATOM 1795 N LYS A 122 22.229 20.364 2.359 1.00 0.00 N ATOM 1796 CA LYS A 122 22.985 20.515 3.597 1.00 0.00 C ATOM 1797 C LYS A 122 23.714 19.223 3.950 1.00 0.00 C ATOM 1798 O LYS A 122 24.722 19.241 4.657 1.00 0.00 O ATOM 1799 CB LYS A 122 22.052 20.915 4.742 1.00 0.00 C ATOM 1800 CG LYS A 122 21.126 22.069 4.397 1.00 0.00 C ATOM 1801 CD LYS A 122 21.291 23.226 5.368 1.00 0.00 C ATOM 1802 CE LYS A 122 19.949 23.840 5.737 1.00 0.00 C ATOM 1803 NZ LYS A 122 20.097 25.234 6.240 1.00 0.00 N ATOM 0 H LYS A 122 21.232 20.561 2.447 1.00 0.00 H new ATOM 0 HA LYS A 122 23.726 21.301 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 122 21.452 20.052 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.652 21.189 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.332 22.412 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 122 20.092 21.724 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.793 22.876 6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.931 23.988 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 122 19.296 23.836 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.467 23.228 6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 19.161 25.617 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.700 25.235 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 20.534 25.824 5.504 1.00 0.00 H new ATOM 1817 N SER A 123 23.200 18.103 3.452 1.00 0.00 N ATOM 1818 CA SER A 123 23.802 16.801 3.716 1.00 0.00 C ATOM 1819 C SER A 123 24.966 16.538 2.767 1.00 0.00 C ATOM 1820 O SER A 123 25.860 15.745 3.066 1.00 0.00 O ATOM 1821 CB SER A 123 22.755 15.694 3.578 1.00 0.00 C ATOM 1822 OG SER A 123 21.679 15.893 4.478 1.00 0.00 O ATOM 0 H SER A 123 22.368 18.071 2.863 1.00 0.00 H new ATOM 0 HA SER A 123 24.183 16.805 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 123 22.378 15.671 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 123 23.218 14.726 3.769 1.00 0.00 H new ATOM 0 HG SER A 123 21.013 16.483 4.067 1.00 0.00 H new ATOM 1828 N LYS A 124 24.949 17.208 1.619 1.00 0.00 N ATOM 1829 CA LYS A 124 26.002 17.049 0.624 1.00 0.00 C ATOM 1830 C LYS A 124 27.295 17.712 1.090 1.00 0.00 C ATOM 1831 O LYS A 124 28.384 17.354 0.640 1.00 0.00 O ATOM 1832 CB LYS A 124 25.563 17.648 -0.714 1.00 0.00 C ATOM 1833 CG LYS A 124 24.434 16.881 -1.382 1.00 0.00 C ATOM 1834 CD LYS A 124 24.946 15.633 -2.081 1.00 0.00 C ATOM 1835 CE LYS A 124 25.551 15.962 -3.437 1.00 0.00 C ATOM 1836 NZ LYS A 124 25.438 14.821 -4.387 1.00 0.00 N ATOM 0 H LYS A 124 24.216 17.867 1.355 1.00 0.00 H new ATOM 0 HA LYS A 124 26.187 15.983 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 124 25.246 18.679 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.419 17.678 -1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 124 23.691 16.602 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 124 23.933 17.525 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 124 25.694 15.146 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 124 24.127 14.925 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 124 25.050 16.834 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 124 26.601 16.227 -3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.862 15.085 -5.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 25.938 13.996 -3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 24.435 14.584 -4.527 1.00 0.00 H new ATOM 1850 N ARG A 125 27.167 18.678 1.993 1.00 0.00 N ATOM 1851 CA ARG A 125 28.325 19.390 2.519 1.00 0.00 C ATOM 1852 C ARG A 125 28.522 19.088 4.002 1.00 0.00 C ATOM 1853 O ARG A 125 29.511 19.504 4.604 1.00 0.00 O ATOM 1854 CB ARG A 125 28.162 20.897 2.312 1.00 0.00 C ATOM 1855 CG ARG A 125 27.013 21.500 3.104 1.00 0.00 C ATOM 1856 CD ARG A 125 27.486 22.637 3.995 1.00 0.00 C ATOM 1857 NE ARG A 125 26.538 23.747 4.016 1.00 0.00 N ATOM 1858 CZ ARG A 125 25.427 23.752 4.745 1.00 0.00 C ATOM 1859 NH1 ARG A 125 25.127 22.710 5.508 1.00 0.00 N ATOM 1860 NH2 ARG A 125 24.614 24.800 4.711 1.00 0.00 N ATOM 0 H ARG A 125 26.273 18.986 2.376 1.00 0.00 H new ATOM 0 HA ARG A 125 29.206 19.049 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 125 29.089 21.396 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 125 28.004 21.095 1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 125 26.250 21.868 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 125 26.546 20.728 3.715 1.00 0.00 H new ATOM 0 HD2 ARG A 125 27.632 22.266 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 125 28.454 22.994 3.644 1.00 0.00 H new ATOM 0 HE ARG A 125 26.740 24.564 3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 125 25.750 21.902 5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 125 24.274 22.716 6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.841 25.603 4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.762 24.803 5.271 1.00 0.00 H new