USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 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 USER MOD Set 1.2: A 44 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.1) USER MOD Set 1.3: A 59 LYS NZ :NH3+ 177:sc=-0.000545 (180deg=0) USER MOD Set 2.1: A 41 MET CE :methyl -162:sc= -0.776 (180deg=-0.959) USER MOD Set 2.2: A 70 SER OG : rot 105:sc= -0.0896 USER MOD Single : A 26 ASN : amide:sc= -0.965 K(o=-0.97,f=-2.5!) USER MOD Single : A 31 MET CE :methyl 168:sc= 0 (180deg=-0.133) USER MOD Single : A 37 CYS SG : rot -35:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= -0.562 (180deg=-2.04) USER MOD Single : A 48 ASN :FLIP amide:sc= -3.09 F(o=-4,f=-3.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -86:sc= 0.223 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 81 SER OG : rot -139:sc= -0.248 USER MOD Single : A 86 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.97) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.743 F(o=-1.8,f=-0.74) 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= -0.225 X(o=-0.23,f=-0.59) USER MOD Single : A 106 CYS SG : rot 180:sc= -0.0586 USER MOD Single : A 107 SER OG : rot 32:sc= -0.558 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0483) 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 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 384 N ASN A 26 25.859 20.716 -5.019 1.00 0.00 N ATOM 385 CA ASN A 26 24.977 21.674 -4.363 1.00 0.00 C ATOM 386 C ASN A 26 23.543 21.525 -4.864 1.00 0.00 C ATOM 387 O ASN A 26 22.715 22.417 -4.683 1.00 0.00 O ATOM 388 CB ASN A 26 25.468 23.102 -4.609 1.00 0.00 C ATOM 389 CG ASN A 26 25.867 23.336 -6.053 1.00 0.00 C ATOM 390 OD1 ASN A 26 25.428 22.620 -6.954 1.00 0.00 O ATOM 391 ND2 ASN A 26 26.704 24.342 -6.280 1.00 0.00 N ATOM 0 HA ASN A 26 24.993 21.470 -3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 26 24.683 23.806 -4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 26 26.321 23.307 -3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 26 27.008 24.547 -7.232 1.00 0.00 H new ATOM 0 HD22 ASN A 26 27.042 24.909 -5.503 1.00 0.00 H new ATOM 398 N VAL A 27 23.258 20.390 -5.495 1.00 0.00 N ATOM 399 CA VAL A 27 21.925 20.122 -6.020 1.00 0.00 C ATOM 400 C VAL A 27 21.046 19.449 -4.972 1.00 0.00 C ATOM 401 O VAL A 27 21.467 18.503 -4.308 1.00 0.00 O ATOM 402 CB VAL A 27 21.985 19.229 -7.274 1.00 0.00 C ATOM 403 CG1 VAL A 27 20.604 18.687 -7.611 1.00 0.00 C ATOM 404 CG2 VAL A 27 22.565 20.000 -8.450 1.00 0.00 C ATOM 0 H VAL A 27 23.933 19.642 -5.655 1.00 0.00 H new ATOM 0 HA VAL A 27 21.491 21.085 -6.289 1.00 0.00 H new ATOM 0 HB VAL A 27 22.640 18.383 -7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.667 18.059 -8.499 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.231 18.096 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.924 19.517 -7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.600 19.354 -9.327 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.938 20.866 -8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.573 20.333 -8.205 1.00 0.00 H new ATOM 414 N GLY A 28 19.820 19.945 -4.829 1.00 0.00 N ATOM 415 CA GLY A 28 18.900 19.379 -3.860 1.00 0.00 C ATOM 416 C GLY A 28 17.827 18.527 -4.508 1.00 0.00 C ATOM 417 O GLY A 28 17.123 18.983 -5.409 1.00 0.00 O ATOM 0 H GLY A 28 19.448 20.728 -5.367 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.457 18.774 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.429 20.185 -3.297 1.00 0.00 H new ATOM 421 N SER A 29 17.701 17.286 -4.049 1.00 0.00 N ATOM 422 CA SER A 29 16.710 16.366 -4.594 1.00 0.00 C ATOM 423 C SER A 29 15.490 16.279 -3.681 1.00 0.00 C ATOM 424 O SER A 29 15.584 15.818 -2.544 1.00 0.00 O ATOM 425 CB SER A 29 17.321 14.976 -4.781 1.00 0.00 C ATOM 426 OG SER A 29 18.426 15.020 -5.667 1.00 0.00 O ATOM 0 H SER A 29 18.273 16.895 -3.301 1.00 0.00 H new ATOM 0 HA SER A 29 16.391 16.748 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 29 17.640 14.583 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 29 16.566 14.293 -5.170 1.00 0.00 H new ATOM 0 HG SER A 29 18.800 14.120 -5.769 1.00 0.00 H new ATOM 432 N GLY A 30 14.345 16.725 -4.189 1.00 0.00 N ATOM 433 CA GLY A 30 13.123 16.689 -3.407 1.00 0.00 C ATOM 434 C GLY A 30 12.145 15.644 -3.907 1.00 0.00 C ATOM 435 O GLY A 30 11.412 15.880 -4.867 1.00 0.00 O ATOM 0 H GLY A 30 14.242 17.110 -5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.368 16.484 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.648 17.670 -3.435 1.00 0.00 H new ATOM 439 N MET A 31 12.136 14.485 -3.257 1.00 0.00 N ATOM 440 CA MET A 31 11.241 13.400 -3.642 1.00 0.00 C ATOM 441 C MET A 31 10.325 13.014 -2.485 1.00 0.00 C ATOM 442 O MET A 31 10.791 12.689 -1.393 1.00 0.00 O ATOM 443 CB MET A 31 12.048 12.182 -4.097 1.00 0.00 C ATOM 444 CG MET A 31 11.185 11.002 -4.510 1.00 0.00 C ATOM 445 SD MET A 31 11.428 9.560 -3.455 1.00 0.00 S ATOM 446 CE MET A 31 9.827 9.449 -2.659 1.00 0.00 C ATOM 0 H MET A 31 12.738 14.273 -2.461 1.00 0.00 H new ATOM 0 HA MET A 31 10.624 13.748 -4.470 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.682 12.469 -4.936 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.710 11.872 -3.288 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.136 11.296 -4.480 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.412 10.735 -5.542 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.743 8.493 -2.142 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.721 10.261 -1.940 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.041 9.525 -3.410 1.00 0.00 H new ATOM 456 N VAL A 32 9.020 13.053 -2.731 1.00 0.00 N ATOM 457 CA VAL A 32 8.038 12.707 -1.709 1.00 0.00 C ATOM 458 C VAL A 32 6.861 11.950 -2.313 1.00 0.00 C ATOM 459 O VAL A 32 6.559 12.093 -3.497 1.00 0.00 O ATOM 460 CB VAL A 32 7.512 13.962 -0.988 1.00 0.00 C ATOM 461 CG1 VAL A 32 8.561 14.507 -0.031 1.00 0.00 C ATOM 462 CG2 VAL A 32 7.098 15.022 -1.998 1.00 0.00 C ATOM 0 H VAL A 32 8.617 13.321 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 32 8.545 12.068 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 32 6.633 13.684 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.171 15.394 0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.804 13.748 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.460 14.770 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.729 15.902 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.958 15.299 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.310 14.626 -2.639 1.00 0.00 H new ATOM 472 N GLY A 33 6.198 11.143 -1.490 1.00 0.00 N ATOM 473 CA GLY A 33 5.060 10.375 -1.960 1.00 0.00 C ATOM 474 C GLY A 33 4.168 9.907 -0.827 1.00 0.00 C ATOM 475 O GLY A 33 4.523 10.034 0.344 1.00 0.00 O ATOM 0 H GLY A 33 6.429 11.008 -0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.476 10.983 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.416 9.510 -2.519 1.00 0.00 H new ATOM 479 N ALA A 34 3.006 9.365 -1.176 1.00 0.00 N ATOM 480 CA ALA A 34 2.061 8.876 -0.180 1.00 0.00 C ATOM 481 C ALA A 34 1.472 7.532 -0.595 1.00 0.00 C ATOM 482 O ALA A 34 1.317 7.234 -1.779 1.00 0.00 O ATOM 483 CB ALA A 34 0.953 9.895 0.041 1.00 0.00 C ATOM 0 H ALA A 34 2.696 9.253 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 34 2.600 8.733 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.254 9.517 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.385 10.832 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.424 10.067 -0.897 1.00 0.00 H new ATOM 489 N PRO A 35 1.136 6.700 0.402 1.00 0.00 N ATOM 490 CA PRO A 35 0.559 5.373 0.164 1.00 0.00 C ATOM 491 C PRO A 35 -0.863 5.449 -0.383 1.00 0.00 C ATOM 492 O PRO A 35 -1.192 4.799 -1.375 1.00 0.00 O ATOM 493 CB PRO A 35 0.563 4.730 1.553 1.00 0.00 C ATOM 494 CG PRO A 35 0.528 5.879 2.502 1.00 0.00 C ATOM 495 CD PRO A 35 1.293 6.989 1.837 1.00 0.00 C ATOM 0 HA PRO A 35 1.122 4.812 -0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.299 4.077 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.453 4.119 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.498 6.182 2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.981 5.611 3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.888 7.967 2.096 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.342 6.989 2.135 1.00 0.00 H new ATOM 503 N ALA A 36 -1.701 6.248 0.269 1.00 0.00 N ATOM 504 CA ALA A 36 -3.086 6.411 -0.155 1.00 0.00 C ATOM 505 C ALA A 36 -3.190 7.366 -1.339 1.00 0.00 C ATOM 506 O ALA A 36 -4.153 7.317 -2.105 1.00 0.00 O ATOM 507 CB ALA A 36 -3.937 6.909 1.004 1.00 0.00 C ATOM 0 H ALA A 36 -1.445 6.792 1.093 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.459 5.438 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.969 7.026 0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.897 6.188 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.555 7.870 1.349 1.00 0.00 H new ATOM 513 N CYS A 37 -2.194 8.233 -1.482 1.00 0.00 N ATOM 514 CA CYS A 37 -2.174 9.201 -2.573 1.00 0.00 C ATOM 515 C CYS A 37 -1.745 8.540 -3.879 1.00 0.00 C ATOM 516 O CYS A 37 -2.119 8.984 -4.963 1.00 0.00 O ATOM 517 CB CYS A 37 -1.231 10.358 -2.239 1.00 0.00 C ATOM 518 SG CYS A 37 -1.545 11.864 -3.189 1.00 0.00 S ATOM 0 H CYS A 37 -1.390 8.286 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.184 9.590 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.316 10.587 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.204 10.038 -2.415 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.934 11.547 -4.388 1.00 0.00 H new ATOM 524 N GLY A 38 -0.956 7.476 -3.766 1.00 0.00 N ATOM 525 CA GLY A 38 -0.487 6.772 -4.946 1.00 0.00 C ATOM 526 C GLY A 38 0.141 7.702 -5.965 1.00 0.00 C ATOM 527 O GLY A 38 -0.300 7.765 -7.112 1.00 0.00 O ATOM 0 H GLY A 38 -0.633 7.089 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.242 6.018 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.322 6.244 -5.406 1.00 0.00 H new ATOM 531 N ALA A 39 1.172 8.427 -5.545 1.00 0.00 N ATOM 532 CA ALA A 39 1.862 9.358 -6.430 1.00 0.00 C ATOM 533 C ALA A 39 3.211 9.769 -5.850 1.00 0.00 C ATOM 534 O ALA A 39 3.543 9.422 -4.717 1.00 0.00 O ATOM 535 CB ALA A 39 0.998 10.585 -6.682 1.00 0.00 C ATOM 0 H ALA A 39 1.548 8.388 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 39 2.043 8.853 -7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.525 11.272 -7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.060 10.281 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.788 11.083 -5.735 1.00 0.00 H new ATOM 541 N VAL A 40 3.987 10.509 -6.636 1.00 0.00 N ATOM 542 CA VAL A 40 5.301 10.967 -6.201 1.00 0.00 C ATOM 543 C VAL A 40 5.683 12.273 -6.889 1.00 0.00 C ATOM 544 O VAL A 40 5.384 12.477 -8.065 1.00 0.00 O ATOM 545 CB VAL A 40 6.386 9.912 -6.486 1.00 0.00 C ATOM 546 CG1 VAL A 40 6.294 8.768 -5.488 1.00 0.00 C ATOM 547 CG2 VAL A 40 6.267 9.397 -7.912 1.00 0.00 C ATOM 0 H VAL A 40 3.728 10.804 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 40 5.239 11.131 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 40 7.363 10.382 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.068 8.032 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.433 9.154 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.314 8.297 -5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.042 8.652 -8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.286 8.943 -8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.388 10.226 -8.609 1.00 0.00 H new ATOM 557 N MET A 41 6.347 13.154 -6.148 1.00 0.00 N ATOM 558 CA MET A 41 6.773 14.440 -6.688 1.00 0.00 C ATOM 559 C MET A 41 8.295 14.545 -6.708 1.00 0.00 C ATOM 560 O MET A 41 8.929 14.706 -5.665 1.00 0.00 O ATOM 561 CB MET A 41 6.182 15.584 -5.863 1.00 0.00 C ATOM 562 CG MET A 41 4.719 15.864 -6.172 1.00 0.00 C ATOM 563 SD MET A 41 4.504 17.207 -7.355 1.00 0.00 S ATOM 564 CE MET A 41 4.195 18.584 -6.252 1.00 0.00 C ATOM 0 H MET A 41 6.602 13.001 -5.172 1.00 0.00 H new ATOM 0 HA MET A 41 6.409 14.514 -7.713 1.00 0.00 H new ATOM 0 HB2 MET A 41 6.282 15.347 -4.804 1.00 0.00 H new ATOM 0 HB3 MET A 41 6.763 16.489 -6.043 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.255 14.960 -6.567 1.00 0.00 H new ATOM 0 HG3 MET A 41 4.197 16.112 -5.248 1.00 0.00 H new ATOM 0 HE1 MET A 41 3.734 19.400 -6.809 1.00 0.00 H new ATOM 0 HE2 MET A 41 3.525 18.267 -5.453 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.137 18.924 -5.822 1.00 0.00 H new ATOM 574 N LYS A 42 8.874 14.451 -7.899 1.00 0.00 N ATOM 575 CA LYS A 42 10.322 14.537 -8.056 1.00 0.00 C ATOM 576 C LYS A 42 10.735 15.919 -8.552 1.00 0.00 C ATOM 577 O LYS A 42 10.406 16.311 -9.673 1.00 0.00 O ATOM 578 CB LYS A 42 10.814 13.465 -9.030 1.00 0.00 C ATOM 579 CG LYS A 42 10.333 12.065 -8.689 1.00 0.00 C ATOM 580 CD LYS A 42 11.411 11.026 -8.947 1.00 0.00 C ATOM 581 CE LYS A 42 12.573 11.176 -7.976 1.00 0.00 C ATOM 582 NZ LYS A 42 13.136 9.857 -7.577 1.00 0.00 N ATOM 0 H LYS A 42 8.363 14.315 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 42 10.779 14.370 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.480 13.720 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.904 13.472 -9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.034 12.027 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.449 11.829 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.985 10.027 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.775 11.124 -9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.355 11.780 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.237 11.711 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.925 10.002 -6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.397 9.289 -7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.480 9.357 -8.421 1.00 0.00 H new ATOM 596 N LEU A 43 11.457 16.652 -7.712 1.00 0.00 N ATOM 597 CA LEU A 43 11.917 17.990 -8.067 1.00 0.00 C ATOM 598 C LEU A 43 13.389 18.173 -7.710 1.00 0.00 C ATOM 599 O LEU A 43 13.889 17.558 -6.769 1.00 0.00 O ATOM 600 CB LEU A 43 11.073 19.047 -7.352 1.00 0.00 C ATOM 601 CG LEU A 43 9.776 19.457 -8.052 1.00 0.00 C ATOM 602 CD1 LEU A 43 8.798 18.293 -8.086 1.00 0.00 C ATOM 603 CD2 LEU A 43 9.153 20.660 -7.359 1.00 0.00 C ATOM 0 H LEU A 43 11.736 16.343 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 43 11.805 18.111 -9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.824 18.673 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.685 19.938 -7.213 1.00 0.00 H new ATOM 0 HG LEU A 43 10.012 19.737 -9.079 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.881 18.603 -8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.244 17.459 -8.628 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.567 17.982 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.231 20.938 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.931 20.408 -6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.850 21.498 -7.387 1.00 0.00 H new ATOM 615 N GLN A 44 14.075 19.022 -8.468 1.00 0.00 N ATOM 616 CA GLN A 44 15.489 19.286 -8.230 1.00 0.00 C ATOM 617 C GLN A 44 15.802 20.770 -8.398 1.00 0.00 C ATOM 618 O GLN A 44 15.195 21.452 -9.223 1.00 0.00 O ATOM 619 CB GLN A 44 16.351 18.460 -9.187 1.00 0.00 C ATOM 620 CG GLN A 44 16.950 17.218 -8.547 1.00 0.00 C ATOM 621 CD GLN A 44 16.887 16.006 -9.455 1.00 0.00 C ATOM 622 OE1 GLN A 44 16.784 16.135 -10.676 1.00 0.00 O ATOM 623 NE2 GLN A 44 16.948 14.819 -8.864 1.00 0.00 N ATOM 0 H GLN A 44 13.675 19.538 -9.251 1.00 0.00 H new ATOM 0 HA GLN A 44 15.719 18.999 -7.204 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.745 18.162 -10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 44 17.157 19.086 -9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.989 17.415 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 44 16.420 17.000 -7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.033 14.758 -7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 44 16.910 13.968 -9.424 1.00 0.00 H new ATOM 632 N ILE A 45 16.751 21.262 -7.609 1.00 0.00 N ATOM 633 CA ILE A 45 17.144 22.664 -7.671 1.00 0.00 C ATOM 634 C ILE A 45 18.657 22.816 -7.559 1.00 0.00 C ATOM 635 O ILE A 45 19.366 21.865 -7.229 1.00 0.00 O ATOM 636 CB ILE A 45 16.473 23.486 -6.555 1.00 0.00 C ATOM 637 CG1 ILE A 45 17.175 23.241 -5.218 1.00 0.00 C ATOM 638 CG2 ILE A 45 14.995 23.137 -6.456 1.00 0.00 C ATOM 639 CD1 ILE A 45 17.041 21.821 -4.717 1.00 0.00 C ATOM 0 H ILE A 45 17.262 20.711 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 45 16.814 23.042 -8.639 1.00 0.00 H new ATOM 0 HB ILE A 45 16.561 24.544 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 45 18.233 23.482 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 45 16.765 23.921 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.534 23.726 -5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.505 23.358 -7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.886 22.076 -6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 45 17.563 21.720 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 45 15.987 21.582 -4.580 1.00 0.00 H new ATOM 0 HD13 ILE A 45 17.477 21.136 -5.444 1.00 0.00 H new ATOM 651 N LYS A 46 19.147 24.020 -7.834 1.00 0.00 N ATOM 652 CA LYS A 46 20.576 24.300 -7.761 1.00 0.00 C ATOM 653 C LYS A 46 20.866 25.388 -6.732 1.00 0.00 C ATOM 654 O LYS A 46 20.168 26.400 -6.671 1.00 0.00 O ATOM 655 CB LYS A 46 21.104 24.728 -9.133 1.00 0.00 C ATOM 656 CG LYS A 46 22.566 25.139 -9.122 1.00 0.00 C ATOM 657 CD LYS A 46 23.390 24.293 -10.078 1.00 0.00 C ATOM 658 CE LYS A 46 23.317 22.817 -9.721 1.00 0.00 C ATOM 659 NZ LYS A 46 22.634 22.023 -10.780 1.00 0.00 N ATOM 0 H LYS A 46 18.575 24.818 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 46 21.084 23.387 -7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.972 23.906 -9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.504 25.561 -9.500 1.00 0.00 H new ATOM 0 HG2 LYS A 46 22.652 26.190 -9.398 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.965 25.042 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 46 23.032 24.440 -11.097 1.00 0.00 H new ATOM 0 HD3 LYS A 46 24.429 24.623 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 46 24.325 22.430 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.785 22.698 -8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.075 21.084 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.628 21.916 -10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.721 22.514 -11.693 1.00 0.00 H new ATOM 673 N VAL A 47 21.901 25.174 -5.926 1.00 0.00 N ATOM 674 CA VAL A 47 22.285 26.138 -4.902 1.00 0.00 C ATOM 675 C VAL A 47 23.699 26.656 -5.137 1.00 0.00 C ATOM 676 O VAL A 47 24.633 25.878 -5.328 1.00 0.00 O ATOM 677 CB VAL A 47 22.204 25.521 -3.493 1.00 0.00 C ATOM 678 CG1 VAL A 47 22.391 26.592 -2.429 1.00 0.00 C ATOM 679 CG2 VAL A 47 20.879 24.796 -3.304 1.00 0.00 C ATOM 0 H VAL A 47 22.489 24.341 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 47 21.582 26.968 -4.969 1.00 0.00 H new ATOM 0 HB VAL A 47 23.009 24.793 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 47 22.331 26.137 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 47 23.367 27.062 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 47 21.610 27.346 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 47 20.839 24.366 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 47 20.057 25.501 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 47 20.791 24.001 -4.044 1.00 0.00 H new ATOM 689 N ASN A 48 23.850 27.977 -5.121 1.00 0.00 N ATOM 690 CA ASN A 48 25.151 28.600 -5.333 1.00 0.00 C ATOM 691 C ASN A 48 25.869 28.825 -4.005 1.00 0.00 C ATOM 692 O ASN A 48 25.323 28.545 -2.938 1.00 0.00 O ATOM 693 CB ASN A 48 24.988 29.931 -6.069 1.00 0.00 C ATOM 694 CG ASN A 48 23.732 30.672 -5.654 1.00 0.00 C ATOM 695 OD1 ASN A 48 23.737 31.210 -4.439 1.00 0.00 O flip ATOM 696 ND2 ASN A 48 22.769 30.760 -6.415 1.00 0.00 N flip ATOM 0 H ASN A 48 23.087 28.636 -4.963 1.00 0.00 H new ATOM 0 HA ASN A 48 25.754 27.927 -5.942 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.858 30.559 -5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.960 29.748 -7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.809 30.331 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.931 31.262 -6.121 1.00 0.00 H new ATOM 703 N ASP A 49 27.094 29.332 -4.080 1.00 0.00 N ATOM 704 CA ASP A 49 27.887 29.597 -2.885 1.00 0.00 C ATOM 705 C ASP A 49 27.128 30.501 -1.919 1.00 0.00 C ATOM 706 O ASP A 49 27.223 30.343 -0.702 1.00 0.00 O ATOM 707 CB ASP A 49 29.221 30.241 -3.264 1.00 0.00 C ATOM 708 CG ASP A 49 30.411 29.451 -2.754 1.00 0.00 C ATOM 709 OD1 ASP A 49 30.322 28.206 -2.710 1.00 0.00 O ATOM 710 OD2 ASP A 49 31.431 30.078 -2.400 1.00 0.00 O ATOM 0 H ASP A 49 27.560 29.568 -4.956 1.00 0.00 H new ATOM 0 HA ASP A 49 28.080 28.646 -2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 49 29.284 30.328 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 49 29.260 31.253 -2.860 1.00 0.00 H new ATOM 715 N GLU A 50 26.376 31.449 -2.470 1.00 0.00 N ATOM 716 CA GLU A 50 25.603 32.380 -1.656 1.00 0.00 C ATOM 717 C GLU A 50 24.552 31.639 -0.833 1.00 0.00 C ATOM 718 O GLU A 50 24.007 32.180 0.128 1.00 0.00 O ATOM 719 CB GLU A 50 24.927 33.427 -2.543 1.00 0.00 C ATOM 720 CG GLU A 50 24.840 34.802 -1.902 1.00 0.00 C ATOM 721 CD GLU A 50 23.714 35.642 -2.473 1.00 0.00 C ATOM 722 OE1 GLU A 50 23.170 35.263 -3.531 1.00 0.00 O ATOM 723 OE2 GLU A 50 23.377 36.677 -1.862 1.00 0.00 O ATOM 0 H GLU A 50 26.286 31.592 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 50 26.288 32.881 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.477 33.507 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.922 33.087 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 50 24.695 34.689 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.786 35.325 -2.043 1.00 0.00 H new ATOM 730 N GLY A 51 24.273 30.398 -1.220 1.00 0.00 N ATOM 731 CA GLY A 51 23.288 29.604 -0.509 1.00 0.00 C ATOM 732 C GLY A 51 21.868 29.930 -0.926 1.00 0.00 C ATOM 733 O GLY A 51 20.929 29.752 -0.150 1.00 0.00 O ATOM 0 H GLY A 51 24.711 29.929 -2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 51 23.482 28.546 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 51 23.396 29.772 0.563 1.00 0.00 H new ATOM 737 N ILE A 52 21.710 30.411 -2.155 1.00 0.00 N ATOM 738 CA ILE A 52 20.395 30.764 -2.673 1.00 0.00 C ATOM 739 C ILE A 52 20.084 29.995 -3.953 1.00 0.00 C ATOM 740 O ILE A 52 20.948 29.827 -4.814 1.00 0.00 O ATOM 741 CB ILE A 52 20.288 32.274 -2.957 1.00 0.00 C ATOM 742 CG1 ILE A 52 20.154 33.053 -1.647 1.00 0.00 C ATOM 743 CG2 ILE A 52 19.106 32.559 -3.871 1.00 0.00 C ATOM 744 CD1 ILE A 52 21.449 33.157 -0.871 1.00 0.00 C ATOM 0 H ILE A 52 22.477 30.565 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 52 19.671 30.495 -1.904 1.00 0.00 H new ATOM 0 HB ILE A 52 21.198 32.599 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 52 19.789 34.057 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 52 19.403 32.570 -1.022 1.00 0.00 H new ATOM 0 HG21 ILE A 52 19.044 33.630 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 52 19.239 32.029 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.186 32.222 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.280 33.722 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 52 21.805 32.157 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.197 33.667 -1.478 1.00 0.00 H new ATOM 756 N ILE A 53 18.844 29.531 -4.071 1.00 0.00 N ATOM 757 CA ILE A 53 18.418 28.782 -5.247 1.00 0.00 C ATOM 758 C ILE A 53 18.464 29.651 -6.498 1.00 0.00 C ATOM 759 O ILE A 53 17.753 30.651 -6.598 1.00 0.00 O ATOM 760 CB ILE A 53 16.993 28.225 -5.073 1.00 0.00 C ATOM 761 CG1 ILE A 53 16.930 27.291 -3.863 1.00 0.00 C ATOM 762 CG2 ILE A 53 16.552 27.497 -6.334 1.00 0.00 C ATOM 763 CD1 ILE A 53 17.916 26.147 -3.931 1.00 0.00 C ATOM 0 H ILE A 53 18.117 29.661 -3.367 1.00 0.00 H new ATOM 0 HA ILE A 53 19.113 27.950 -5.361 1.00 0.00 H new ATOM 0 HB ILE A 53 16.312 29.058 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 53 17.118 27.869 -2.958 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.921 26.886 -3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 53 15.543 27.109 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 53 16.563 28.189 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.234 26.671 -6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 53 17.815 25.526 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 53 17.715 25.545 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 53 18.930 26.543 -3.984 1.00 0.00 H new ATOM 775 N GLU A 54 19.304 29.262 -7.452 1.00 0.00 N ATOM 776 CA GLU A 54 19.441 30.006 -8.699 1.00 0.00 C ATOM 777 C GLU A 54 18.794 29.252 -9.857 1.00 0.00 C ATOM 778 O GLU A 54 18.436 29.845 -10.875 1.00 0.00 O ATOM 779 CB GLU A 54 20.918 30.264 -9.005 1.00 0.00 C ATOM 780 CG GLU A 54 21.157 30.882 -10.373 1.00 0.00 C ATOM 781 CD GLU A 54 22.486 31.606 -10.461 1.00 0.00 C ATOM 782 OE1 GLU A 54 22.555 32.774 -10.023 1.00 0.00 O ATOM 783 OE2 GLU A 54 23.457 31.007 -10.968 1.00 0.00 O ATOM 0 H GLU A 54 19.900 28.437 -7.385 1.00 0.00 H new ATOM 0 HA GLU A 54 18.930 30.961 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.329 30.924 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.464 29.323 -8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.122 30.100 -11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.351 31.581 -10.598 1.00 0.00 H new ATOM 790 N ASP A 55 18.648 27.942 -9.694 1.00 0.00 N ATOM 791 CA ASP A 55 18.044 27.105 -10.724 1.00 0.00 C ATOM 792 C ASP A 55 17.067 26.107 -10.110 1.00 0.00 C ATOM 793 O ASP A 55 17.260 25.646 -8.986 1.00 0.00 O ATOM 794 CB ASP A 55 19.127 26.362 -11.507 1.00 0.00 C ATOM 795 CG ASP A 55 18.833 26.307 -12.993 1.00 0.00 C ATOM 796 OD1 ASP A 55 17.640 26.261 -13.361 1.00 0.00 O ATOM 797 OD2 ASP A 55 19.795 26.311 -13.789 1.00 0.00 O ATOM 0 H ASP A 55 18.940 27.436 -8.858 1.00 0.00 H new ATOM 0 HA ASP A 55 17.493 27.752 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.087 26.852 -11.348 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.219 25.347 -11.120 1.00 0.00 H new ATOM 802 N ALA A 56 16.018 25.779 -10.857 1.00 0.00 N ATOM 803 CA ALA A 56 15.011 24.836 -10.387 1.00 0.00 C ATOM 804 C ALA A 56 14.366 24.095 -11.553 1.00 0.00 C ATOM 805 O ALA A 56 13.865 24.713 -12.492 1.00 0.00 O ATOM 806 CB ALA A 56 13.952 25.558 -9.567 1.00 0.00 C ATOM 0 H ALA A 56 15.844 26.152 -11.790 1.00 0.00 H new ATOM 0 HA ALA A 56 15.506 24.101 -9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.207 24.841 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.421 26.035 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.469 26.316 -10.183 1.00 0.00 H new ATOM 812 N ARG A 57 14.382 22.768 -11.487 1.00 0.00 N ATOM 813 CA ARG A 57 13.799 21.943 -12.538 1.00 0.00 C ATOM 814 C ARG A 57 12.873 20.883 -11.949 1.00 0.00 C ATOM 815 O ARG A 57 13.156 20.314 -10.894 1.00 0.00 O ATOM 816 CB ARG A 57 14.902 21.272 -13.359 1.00 0.00 C ATOM 817 CG ARG A 57 15.380 22.108 -14.536 1.00 0.00 C ATOM 818 CD ARG A 57 14.318 22.202 -15.620 1.00 0.00 C ATOM 819 NE ARG A 57 13.992 23.587 -15.948 1.00 0.00 N ATOM 820 CZ ARG A 57 13.154 23.935 -16.918 1.00 0.00 C ATOM 821 NH1 ARG A 57 12.560 23.003 -17.651 1.00 0.00 N ATOM 822 NH2 ARG A 57 12.907 25.217 -17.156 1.00 0.00 N ATOM 0 H ARG A 57 14.793 22.241 -10.716 1.00 0.00 H new ATOM 0 HA ARG A 57 13.212 22.591 -13.189 1.00 0.00 H new ATOM 0 HB2 ARG A 57 15.750 21.059 -12.708 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.536 20.314 -13.729 1.00 0.00 H new ATOM 0 HG2 ARG A 57 15.639 23.109 -14.191 1.00 0.00 H new ATOM 0 HG3 ARG A 57 16.287 21.669 -14.951 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.669 21.690 -16.516 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.416 21.686 -15.290 1.00 0.00 H new ATOM 0 HE ARG A 57 14.432 24.328 -15.402 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.746 22.017 -17.470 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.917 23.273 -18.395 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.361 25.937 -16.594 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.263 25.483 -17.901 1.00 0.00 H new ATOM 836 N PHE A 58 11.766 20.623 -12.636 1.00 0.00 N ATOM 837 CA PHE A 58 10.798 19.633 -12.180 1.00 0.00 C ATOM 838 C PHE A 58 10.511 18.609 -13.274 1.00 0.00 C ATOM 839 O PHE A 58 10.747 18.862 -14.456 1.00 0.00 O ATOM 840 CB PHE A 58 9.498 20.319 -11.754 1.00 0.00 C ATOM 841 CG PHE A 58 8.888 21.169 -12.832 1.00 0.00 C ATOM 842 CD1 PHE A 58 9.234 22.504 -12.958 1.00 0.00 C ATOM 843 CD2 PHE A 58 7.967 20.633 -13.718 1.00 0.00 C ATOM 844 CE1 PHE A 58 8.675 23.290 -13.949 1.00 0.00 C ATOM 845 CE2 PHE A 58 7.405 21.413 -14.710 1.00 0.00 C ATOM 846 CZ PHE A 58 7.758 22.743 -14.826 1.00 0.00 C ATOM 0 H PHE A 58 11.517 21.084 -13.511 1.00 0.00 H new ATOM 0 HA PHE A 58 11.224 19.112 -11.322 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.778 19.559 -11.451 1.00 0.00 H new ATOM 0 HB3 PHE A 58 9.694 20.940 -10.880 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.949 22.937 -12.274 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.685 19.594 -13.632 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.955 24.329 -14.037 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.689 20.983 -15.395 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.318 23.354 -15.600 1.00 0.00 H new ATOM 856 N LYS A 59 10.001 17.450 -12.872 1.00 0.00 N ATOM 857 CA LYS A 59 9.680 16.385 -13.815 1.00 0.00 C ATOM 858 C LYS A 59 8.232 15.934 -13.656 1.00 0.00 C ATOM 859 O LYS A 59 7.669 15.994 -12.562 1.00 0.00 O ATOM 860 CB LYS A 59 10.621 15.196 -13.613 1.00 0.00 C ATOM 861 CG LYS A 59 12.082 15.591 -13.483 1.00 0.00 C ATOM 862 CD LYS A 59 12.570 15.463 -12.050 1.00 0.00 C ATOM 863 CE LYS A 59 14.042 15.085 -11.994 1.00 0.00 C ATOM 864 NZ LYS A 59 14.386 14.378 -10.729 1.00 0.00 N ATOM 0 H LYS A 59 9.801 17.224 -11.898 1.00 0.00 H new ATOM 0 HA LYS A 59 9.811 16.777 -14.824 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.319 14.653 -12.717 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.512 14.511 -14.453 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.689 14.961 -14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.213 16.618 -13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.415 16.406 -11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.980 14.709 -11.529 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.286 14.448 -12.844 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.651 15.984 -12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.386 14.093 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.225 15.013 -9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.787 13.534 -10.629 1.00 0.00 H new ATOM 978 N ALA A 68 -0.329 22.179 -11.669 1.00 0.00 N ATOM 979 CA ALA A 68 -0.056 23.581 -11.380 1.00 0.00 C ATOM 980 C ALA A 68 0.658 23.737 -10.042 1.00 0.00 C ATOM 981 O ALA A 68 1.481 24.636 -9.868 1.00 0.00 O ATOM 982 CB ALA A 68 -1.348 24.383 -11.388 1.00 0.00 C ATOM 0 HA ALA A 68 0.602 23.965 -12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.129 25.428 -11.171 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.817 24.307 -12.369 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.025 23.989 -10.630 1.00 0.00 H new ATOM 988 N SER A 69 0.338 22.857 -9.099 1.00 0.00 N ATOM 989 CA SER A 69 0.946 22.900 -7.774 1.00 0.00 C ATOM 990 C SER A 69 2.464 22.783 -7.869 1.00 0.00 C ATOM 991 O SER A 69 3.197 23.596 -7.306 1.00 0.00 O ATOM 992 CB SER A 69 0.389 21.777 -6.898 1.00 0.00 C ATOM 993 OG SER A 69 -1.020 21.688 -7.016 1.00 0.00 O ATOM 0 H SER A 69 -0.339 22.105 -9.228 1.00 0.00 H new ATOM 0 HA SER A 69 0.702 23.860 -7.319 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.842 20.828 -7.186 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.659 21.956 -5.857 1.00 0.00 H new ATOM 0 HG SER A 69 -1.351 20.961 -6.447 1.00 0.00 H new ATOM 999 N SER A 70 2.928 21.765 -8.586 1.00 0.00 N ATOM 1000 CA SER A 70 4.359 21.537 -8.752 1.00 0.00 C ATOM 1001 C SER A 70 5.017 22.713 -9.467 1.00 0.00 C ATOM 1002 O SER A 70 6.025 23.249 -9.007 1.00 0.00 O ATOM 1003 CB SER A 70 4.604 20.247 -9.538 1.00 0.00 C ATOM 1004 OG SER A 70 5.890 19.719 -9.263 1.00 0.00 O ATOM 0 H SER A 70 2.334 21.085 -9.061 1.00 0.00 H new ATOM 0 HA SER A 70 4.803 21.441 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.843 19.511 -9.281 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.509 20.444 -10.606 1.00 0.00 H new ATOM 0 HG SER A 70 5.805 18.939 -8.676 1.00 0.00 H new ATOM 1010 N SER A 71 4.438 23.110 -10.596 1.00 0.00 N ATOM 1011 CA SER A 71 4.969 24.220 -11.378 1.00 0.00 C ATOM 1012 C SER A 71 4.926 25.518 -10.578 1.00 0.00 C ATOM 1013 O SER A 71 5.674 26.457 -10.854 1.00 0.00 O ATOM 1014 CB SER A 71 4.177 24.382 -12.677 1.00 0.00 C ATOM 1015 OG SER A 71 4.202 25.726 -13.126 1.00 0.00 O ATOM 0 H SER A 71 3.601 22.679 -10.989 1.00 0.00 H new ATOM 0 HA SER A 71 6.008 23.997 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.595 23.731 -13.445 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.145 24.067 -12.519 1.00 0.00 H new ATOM 0 HG SER A 71 3.690 25.802 -13.958 1.00 0.00 H new ATOM 1021 N LEU A 72 4.046 25.564 -9.583 1.00 0.00 N ATOM 1022 CA LEU A 72 3.904 26.746 -8.741 1.00 0.00 C ATOM 1023 C LEU A 72 4.992 26.787 -7.673 1.00 0.00 C ATOM 1024 O LEU A 72 5.660 27.805 -7.491 1.00 0.00 O ATOM 1025 CB LEU A 72 2.524 26.763 -8.081 1.00 0.00 C ATOM 1026 CG LEU A 72 2.305 27.835 -7.012 1.00 0.00 C ATOM 1027 CD1 LEU A 72 2.076 29.193 -7.658 1.00 0.00 C ATOM 1028 CD2 LEU A 72 1.131 27.463 -6.118 1.00 0.00 C ATOM 0 H LEU A 72 3.420 24.796 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 72 4.008 27.628 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.773 26.895 -8.859 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.347 25.787 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 72 3.201 27.895 -6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.922 29.943 -6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.946 29.463 -8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.195 29.147 -8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.989 28.236 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.228 27.375 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.334 26.511 -5.628 1.00 0.00 H new ATOM 1040 N VAL A 73 5.166 25.673 -6.969 1.00 0.00 N ATOM 1041 CA VAL A 73 6.176 25.580 -5.921 1.00 0.00 C ATOM 1042 C VAL A 73 7.580 25.725 -6.496 1.00 0.00 C ATOM 1043 O VAL A 73 8.484 26.237 -5.835 1.00 0.00 O ATOM 1044 CB VAL A 73 6.078 24.242 -5.164 1.00 0.00 C ATOM 1045 CG1 VAL A 73 4.774 24.163 -4.386 1.00 0.00 C ATOM 1046 CG2 VAL A 73 6.204 23.074 -6.130 1.00 0.00 C ATOM 0 H VAL A 73 4.620 24.822 -7.105 1.00 0.00 H new ATOM 0 HA VAL A 73 5.986 26.397 -5.225 1.00 0.00 H new ATOM 0 HB VAL A 73 6.901 24.186 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.723 23.211 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.730 24.980 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.934 24.241 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.133 22.136 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.403 23.123 -6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.167 23.124 -6.638 1.00 0.00 H new ATOM 1056 N THR A 74 7.757 25.271 -7.733 1.00 0.00 N ATOM 1057 CA THR A 74 9.051 25.349 -8.398 1.00 0.00 C ATOM 1058 C THR A 74 9.426 26.795 -8.704 1.00 0.00 C ATOM 1059 O THR A 74 10.499 27.261 -8.323 1.00 0.00 O ATOM 1060 CB THR A 74 9.059 24.541 -9.709 1.00 0.00 C ATOM 1061 OG1 THR A 74 7.787 24.648 -10.359 1.00 0.00 O ATOM 1062 CG2 THR A 74 9.375 23.077 -9.441 1.00 0.00 C ATOM 0 H THR A 74 7.020 24.845 -8.294 1.00 0.00 H new ATOM 0 HA THR A 74 9.784 24.923 -7.713 1.00 0.00 H new ATOM 0 HB THR A 74 9.834 24.951 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.180 23.964 -10.006 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.375 22.527 -10.382 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.356 22.996 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.620 22.658 -8.775 1.00 0.00 H new ATOM 1070 N GLU A 75 8.534 27.500 -9.393 1.00 0.00 N ATOM 1071 CA GLU A 75 8.773 28.893 -9.749 1.00 0.00 C ATOM 1072 C GLU A 75 9.000 29.743 -8.502 1.00 0.00 C ATOM 1073 O GLU A 75 9.581 30.826 -8.573 1.00 0.00 O ATOM 1074 CB GLU A 75 7.592 29.448 -10.549 1.00 0.00 C ATOM 1075 CG GLU A 75 6.280 29.437 -9.784 1.00 0.00 C ATOM 1076 CD GLU A 75 5.196 30.245 -10.472 1.00 0.00 C ATOM 1077 OE1 GLU A 75 4.890 29.949 -11.646 1.00 0.00 O ATOM 1078 OE2 GLU A 75 4.654 31.172 -9.835 1.00 0.00 O ATOM 0 H GLU A 75 7.640 27.129 -9.715 1.00 0.00 H new ATOM 0 HA GLU A 75 9.672 28.934 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.818 30.470 -10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.476 28.864 -11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.941 28.408 -9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.444 29.835 -8.783 1.00 0.00 H new ATOM 1085 N TRP A 76 8.538 29.243 -7.362 1.00 0.00 N ATOM 1086 CA TRP A 76 8.690 29.956 -6.098 1.00 0.00 C ATOM 1087 C TRP A 76 10.091 29.760 -5.528 1.00 0.00 C ATOM 1088 O TRP A 76 10.675 30.683 -4.959 1.00 0.00 O ATOM 1089 CB TRP A 76 7.645 29.477 -5.090 1.00 0.00 C ATOM 1090 CG TRP A 76 6.583 30.496 -4.807 1.00 0.00 C ATOM 1091 CD1 TRP A 76 5.234 30.285 -4.766 1.00 0.00 C ATOM 1092 CD2 TRP A 76 6.782 31.886 -4.526 1.00 0.00 C ATOM 1093 NE1 TRP A 76 4.583 31.460 -4.478 1.00 0.00 N ATOM 1094 CE2 TRP A 76 5.510 32.457 -4.325 1.00 0.00 C ATOM 1095 CE3 TRP A 76 7.910 32.704 -4.423 1.00 0.00 C ATOM 1096 CZ2 TRP A 76 5.338 33.807 -4.029 1.00 0.00 C ATOM 1097 CZ3 TRP A 76 7.738 34.043 -4.129 1.00 0.00 C ATOM 1098 CH2 TRP A 76 6.461 34.584 -3.934 1.00 0.00 C ATOM 0 H TRP A 76 8.055 28.348 -7.286 1.00 0.00 H new ATOM 0 HA TRP A 76 8.540 31.019 -6.288 1.00 0.00 H new ATOM 0 HB2 TRP A 76 7.176 28.569 -5.468 1.00 0.00 H new ATOM 0 HB3 TRP A 76 8.144 29.214 -4.157 1.00 0.00 H new ATOM 0 HD1 TRP A 76 4.750 29.334 -4.935 1.00 0.00 H new ATOM 0 HE1 TRP A 76 3.573 31.572 -4.392 1.00 0.00 H new ATOM 0 HE3 TRP A 76 8.899 32.297 -4.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.354 34.226 -3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 8.604 34.684 -4.048 1.00 0.00 H new ATOM 0 HH2 TRP A 76 6.360 35.634 -3.704 1.00 0.00 H new ATOM 1109 N VAL A 77 10.626 28.554 -5.685 1.00 0.00 N ATOM 1110 CA VAL A 77 11.959 28.238 -5.186 1.00 0.00 C ATOM 1111 C VAL A 77 13.036 28.872 -6.059 1.00 0.00 C ATOM 1112 O VAL A 77 14.129 29.186 -5.586 1.00 0.00 O ATOM 1113 CB VAL A 77 12.191 26.716 -5.129 1.00 0.00 C ATOM 1114 CG1 VAL A 77 13.496 26.402 -4.413 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.020 26.025 -4.448 1.00 0.00 C ATOM 0 H VAL A 77 10.157 27.779 -6.154 1.00 0.00 H new ATOM 0 HA VAL A 77 12.025 28.646 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 77 12.264 26.338 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.643 25.322 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 77 14.325 26.866 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 77 13.456 26.792 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.200 24.950 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.914 26.405 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.105 26.223 -5.007 1.00 0.00 H new ATOM 1125 N LYS A 78 12.721 29.060 -7.336 1.00 0.00 N ATOM 1126 CA LYS A 78 13.660 29.659 -8.276 1.00 0.00 C ATOM 1127 C LYS A 78 13.996 31.091 -7.872 1.00 0.00 C ATOM 1128 O LYS A 78 13.198 32.006 -8.071 1.00 0.00 O ATOM 1129 CB LYS A 78 13.079 29.640 -9.692 1.00 0.00 C ATOM 1130 CG LYS A 78 13.680 28.567 -10.583 1.00 0.00 C ATOM 1131 CD LYS A 78 14.099 29.131 -11.930 1.00 0.00 C ATOM 1132 CE LYS A 78 12.896 29.401 -12.820 1.00 0.00 C ATOM 1133 NZ LYS A 78 13.231 30.322 -13.941 1.00 0.00 N ATOM 0 H LYS A 78 11.821 28.806 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 78 14.577 29.071 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.001 29.488 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.238 30.614 -10.154 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.544 28.124 -10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.954 27.768 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.657 30.055 -11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.770 28.430 -12.426 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.524 28.459 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.092 29.832 -12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.385 30.481 -14.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.562 31.230 -13.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.980 29.899 -14.526 1.00 0.00 H new ATOM 1147 N GLY A 79 15.184 31.279 -7.305 1.00 0.00 N ATOM 1148 CA GLY A 79 15.604 32.602 -6.883 1.00 0.00 C ATOM 1149 C GLY A 79 15.221 32.902 -5.448 1.00 0.00 C ATOM 1150 O GLY A 79 14.703 33.978 -5.147 1.00 0.00 O ATOM 0 H GLY A 79 15.863 30.538 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.685 32.689 -6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.156 33.348 -7.539 1.00 0.00 H new ATOM 1154 N LYS A 80 15.475 31.949 -4.558 1.00 0.00 N ATOM 1155 CA LYS A 80 15.153 32.115 -3.145 1.00 0.00 C ATOM 1156 C LYS A 80 16.096 31.292 -2.272 1.00 0.00 C ATOM 1157 O LYS A 80 16.529 30.207 -2.661 1.00 0.00 O ATOM 1158 CB LYS A 80 13.704 31.703 -2.879 1.00 0.00 C ATOM 1159 CG LYS A 80 12.837 32.833 -2.351 1.00 0.00 C ATOM 1160 CD LYS A 80 11.375 32.627 -2.707 1.00 0.00 C ATOM 1161 CE LYS A 80 10.458 33.066 -1.576 1.00 0.00 C ATOM 1162 NZ LYS A 80 9.198 32.273 -1.543 1.00 0.00 N ATOM 0 H LYS A 80 15.903 31.053 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 80 15.277 33.168 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.268 31.323 -3.803 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.694 30.883 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.943 32.899 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.183 33.781 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.136 33.190 -3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.199 31.575 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.979 32.960 -0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.219 34.123 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.601 32.603 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.688 32.394 -2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.424 31.267 -1.406 1.00 0.00 H new ATOM 1176 N SER A 81 16.407 31.814 -1.090 1.00 0.00 N ATOM 1177 CA SER A 81 17.300 31.128 -0.163 1.00 0.00 C ATOM 1178 C SER A 81 16.749 29.754 0.206 1.00 0.00 C ATOM 1179 O SER A 81 15.693 29.345 -0.280 1.00 0.00 O ATOM 1180 CB SER A 81 17.499 31.967 1.101 1.00 0.00 C ATOM 1181 OG SER A 81 16.334 31.958 1.907 1.00 0.00 O ATOM 0 H SER A 81 16.054 32.709 -0.752 1.00 0.00 H new ATOM 0 HA SER A 81 18.263 30.993 -0.656 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.342 31.577 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 81 17.747 32.992 0.826 1.00 0.00 H new ATOM 0 HG SER A 81 16.175 32.858 2.262 1.00 0.00 H new ATOM 1187 N LEU A 82 17.470 29.047 1.068 1.00 0.00 N ATOM 1188 CA LEU A 82 17.054 27.718 1.504 1.00 0.00 C ATOM 1189 C LEU A 82 15.932 27.809 2.533 1.00 0.00 C ATOM 1190 O LEU A 82 14.948 27.073 2.460 1.00 0.00 O ATOM 1191 CB LEU A 82 18.243 26.959 2.095 1.00 0.00 C ATOM 1192 CG LEU A 82 19.555 27.054 1.315 1.00 0.00 C ATOM 1193 CD1 LEU A 82 20.727 26.631 2.188 1.00 0.00 C ATOM 1194 CD2 LEU A 82 19.490 26.201 0.056 1.00 0.00 C ATOM 0 H LEU A 82 18.345 29.371 1.479 1.00 0.00 H new ATOM 0 HA LEU A 82 16.681 27.177 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 82 18.417 27.327 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.970 25.907 2.181 1.00 0.00 H new ATOM 0 HG LEU A 82 19.705 28.092 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 82 21.652 26.705 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.786 27.283 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 82 20.584 25.601 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.432 26.281 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.316 25.160 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 82 18.675 26.550 -0.578 1.00 0.00 H new ATOM 1206 N ASP A 83 16.086 28.717 3.490 1.00 0.00 N ATOM 1207 CA ASP A 83 15.085 28.907 4.533 1.00 0.00 C ATOM 1208 C ASP A 83 13.797 29.483 3.951 1.00 0.00 C ATOM 1209 O ASP A 83 12.702 29.175 4.420 1.00 0.00 O ATOM 1210 CB ASP A 83 15.624 29.831 5.626 1.00 0.00 C ATOM 1211 CG ASP A 83 16.417 29.082 6.679 1.00 0.00 C ATOM 1212 OD1 ASP A 83 15.817 28.256 7.396 1.00 0.00 O ATOM 1213 OD2 ASP A 83 17.638 29.324 6.785 1.00 0.00 O ATOM 0 H ASP A 83 16.895 29.334 3.565 1.00 0.00 H new ATOM 0 HA ASP A 83 14.862 27.934 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.257 30.594 5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 83 14.792 30.349 6.102 1.00 0.00 H new ATOM 1218 N GLU A 84 13.939 30.321 2.929 1.00 0.00 N ATOM 1219 CA GLU A 84 12.787 30.941 2.285 1.00 0.00 C ATOM 1220 C GLU A 84 11.856 29.883 1.699 1.00 0.00 C ATOM 1221 O GLU A 84 10.690 29.787 2.081 1.00 0.00 O ATOM 1222 CB GLU A 84 13.245 31.899 1.184 1.00 0.00 C ATOM 1223 CG GLU A 84 13.153 33.365 1.575 1.00 0.00 C ATOM 1224 CD GLU A 84 13.572 33.612 3.012 1.00 0.00 C ATOM 1225 OE1 GLU A 84 14.523 32.949 3.476 1.00 0.00 O ATOM 1226 OE2 GLU A 84 12.948 34.469 3.672 1.00 0.00 O ATOM 0 H GLU A 84 14.839 30.586 2.530 1.00 0.00 H new ATOM 0 HA GLU A 84 12.239 31.503 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.276 31.667 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.640 31.731 0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.784 33.955 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.129 33.711 1.434 1.00 0.00 H new ATOM 1233 N ALA A 85 12.380 29.092 0.769 1.00 0.00 N ATOM 1234 CA ALA A 85 11.598 28.040 0.131 1.00 0.00 C ATOM 1235 C ALA A 85 11.102 27.026 1.157 1.00 0.00 C ATOM 1236 O ALA A 85 10.001 26.491 1.030 1.00 0.00 O ATOM 1237 CB ALA A 85 12.422 27.347 -0.943 1.00 0.00 C ATOM 0 H ALA A 85 13.343 29.160 0.440 1.00 0.00 H new ATOM 0 HA ALA A 85 10.728 28.501 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.825 26.564 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.722 28.074 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.310 26.905 -0.492 1.00 0.00 H new ATOM 1243 N GLN A 86 11.921 26.768 2.171 1.00 0.00 N ATOM 1244 CA GLN A 86 11.565 25.817 3.217 1.00 0.00 C ATOM 1245 C GLN A 86 10.501 26.398 4.143 1.00 0.00 C ATOM 1246 O GLN A 86 9.796 25.663 4.833 1.00 0.00 O ATOM 1247 CB GLN A 86 12.804 25.427 4.025 1.00 0.00 C ATOM 1248 CG GLN A 86 12.645 24.124 4.792 1.00 0.00 C ATOM 1249 CD GLN A 86 13.439 24.106 6.083 1.00 0.00 C ATOM 1250 OE1 GLN A 86 14.453 23.416 6.193 1.00 0.00 O ATOM 1251 NE2 GLN A 86 12.981 24.867 7.070 1.00 0.00 N ATOM 0 H GLN A 86 12.835 27.204 2.290 1.00 0.00 H new ATOM 0 HA GLN A 86 11.157 24.926 2.739 1.00 0.00 H new ATOM 0 HB2 GLN A 86 13.655 25.340 3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 86 13.036 26.227 4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.590 23.965 5.016 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.965 23.294 4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.137 25.423 6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.474 24.896 7.963 1.00 0.00 H new ATOM 1260 N ALA A 87 10.392 27.723 4.151 1.00 0.00 N ATOM 1261 CA ALA A 87 9.414 28.403 4.991 1.00 0.00 C ATOM 1262 C ALA A 87 8.023 28.345 4.369 1.00 0.00 C ATOM 1263 O ALA A 87 7.022 28.599 5.041 1.00 0.00 O ATOM 1264 CB ALA A 87 9.831 29.848 5.222 1.00 0.00 C ATOM 0 H ALA A 87 10.969 28.346 3.586 1.00 0.00 H new ATOM 0 HA ALA A 87 9.376 27.889 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.092 30.344 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.802 29.872 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.898 30.365 4.265 1.00 0.00 H new ATOM 1270 N ILE A 88 7.967 28.011 3.084 1.00 0.00 N ATOM 1271 CA ILE A 88 6.698 27.920 2.374 1.00 0.00 C ATOM 1272 C ILE A 88 5.704 27.048 3.133 1.00 0.00 C ATOM 1273 O ILE A 88 6.076 26.037 3.729 1.00 0.00 O ATOM 1274 CB ILE A 88 6.886 27.349 0.956 1.00 0.00 C ATOM 1275 CG1 ILE A 88 7.843 28.231 0.150 1.00 0.00 C ATOM 1276 CG2 ILE A 88 5.544 27.231 0.249 1.00 0.00 C ATOM 1277 CD1 ILE A 88 8.286 27.607 -1.155 1.00 0.00 C ATOM 0 H ILE A 88 8.786 27.799 2.514 1.00 0.00 H new ATOM 0 HA ILE A 88 6.305 28.934 2.300 1.00 0.00 H new ATOM 0 HB ILE A 88 7.320 26.353 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.357 29.184 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.722 28.448 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.694 26.826 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.892 26.566 0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.083 28.216 0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.962 28.287 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.801 26.668 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.415 27.415 -1.781 1.00 0.00 H new ATOM 1289 N LYS A 89 4.436 27.445 3.106 1.00 0.00 N ATOM 1290 CA LYS A 89 3.386 26.698 3.788 1.00 0.00 C ATOM 1291 C LYS A 89 2.371 26.150 2.790 1.00 0.00 C ATOM 1292 O LYS A 89 1.956 26.849 1.866 1.00 0.00 O ATOM 1293 CB LYS A 89 2.680 27.591 4.811 1.00 0.00 C ATOM 1294 CG LYS A 89 3.634 28.365 5.704 1.00 0.00 C ATOM 1295 CD LYS A 89 4.519 27.433 6.515 1.00 0.00 C ATOM 1296 CE LYS A 89 5.292 28.189 7.584 1.00 0.00 C ATOM 1297 NZ LYS A 89 4.895 27.770 8.957 1.00 0.00 N ATOM 0 H LYS A 89 4.111 28.280 2.619 1.00 0.00 H new ATOM 0 HA LYS A 89 3.850 25.858 4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.037 28.296 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.033 26.974 5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.256 29.019 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.065 29.005 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.906 26.663 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.217 26.924 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.360 28.020 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.121 29.259 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.445 28.308 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.881 27.954 9.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.082 26.754 9.078 1.00 0.00 H new ATOM 1311 N ASN A 90 1.975 24.897 2.984 1.00 0.00 N ATOM 1312 CA ASN A 90 1.007 24.256 2.100 1.00 0.00 C ATOM 1313 C ASN A 90 -0.204 25.156 1.875 1.00 0.00 C ATOM 1314 O ASN A 90 -0.735 25.235 0.767 1.00 0.00 O ATOM 1315 CB ASN A 90 0.558 22.916 2.688 1.00 0.00 C ATOM 1316 CG ASN A 90 -0.121 23.074 4.035 1.00 0.00 C ATOM 1317 OD1 ASN A 90 -1.434 23.272 4.015 1.00 0.00 O flip ATOM 1318 ND2 ASN A 90 0.527 23.018 5.080 1.00 0.00 N flip ATOM 0 H ASN A 90 2.309 24.305 3.745 1.00 0.00 H new ATOM 0 HA ASN A 90 1.490 24.081 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.127 22.429 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.423 22.261 2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.535 22.864 5.048 1.00 0.00 H new ATOM 0 HD22 ASN A 90 0.056 23.125 5.978 1.00 0.00 H new ATOM 1325 N THR A 91 -0.635 25.835 2.934 1.00 0.00 N ATOM 1326 CA THR A 91 -1.783 26.729 2.852 1.00 0.00 C ATOM 1327 C THR A 91 -1.630 27.717 1.701 1.00 0.00 C ATOM 1328 O THR A 91 -2.597 28.032 1.008 1.00 0.00 O ATOM 1329 CB THR A 91 -1.978 27.513 4.164 1.00 0.00 C ATOM 1330 OG1 THR A 91 -2.997 28.505 3.994 1.00 0.00 O ATOM 1331 CG2 THR A 91 -0.681 28.180 4.594 1.00 0.00 C ATOM 0 H THR A 91 -0.206 25.783 3.858 1.00 0.00 H new ATOM 0 HA THR A 91 -2.659 26.104 2.676 1.00 0.00 H new ATOM 0 HB THR A 91 -2.281 26.810 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.116 28.998 4.832 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.844 28.727 5.522 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.085 27.420 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.353 28.871 3.818 1.00 0.00 H new ATOM 1339 N ASP A 92 -0.409 28.201 1.502 1.00 0.00 N ATOM 1340 CA ASP A 92 -0.129 29.153 0.433 1.00 0.00 C ATOM 1341 C ASP A 92 -0.304 28.500 -0.935 1.00 0.00 C ATOM 1342 O ASP A 92 -0.804 29.124 -1.872 1.00 0.00 O ATOM 1343 CB ASP A 92 1.291 29.704 0.571 1.00 0.00 C ATOM 1344 CG ASP A 92 1.309 31.185 0.892 1.00 0.00 C ATOM 1345 OD1 ASP A 92 1.001 31.545 2.047 1.00 0.00 O ATOM 1346 OD2 ASP A 92 1.630 31.985 -0.012 1.00 0.00 O ATOM 0 H ASP A 92 0.403 27.950 2.067 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.839 29.976 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.814 29.159 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.837 29.530 -0.356 1.00 0.00 H new ATOM 1351 N ILE A 93 0.110 27.242 -1.042 1.00 0.00 N ATOM 1352 CA ILE A 93 -0.001 26.506 -2.295 1.00 0.00 C ATOM 1353 C ILE A 93 -1.433 26.037 -2.531 1.00 0.00 C ATOM 1354 O ILE A 93 -1.840 25.804 -3.669 1.00 0.00 O ATOM 1355 CB ILE A 93 0.937 25.284 -2.315 1.00 0.00 C ATOM 1356 CG1 ILE A 93 2.394 25.731 -2.176 1.00 0.00 C ATOM 1357 CG2 ILE A 93 0.741 24.488 -3.597 1.00 0.00 C ATOM 1358 CD1 ILE A 93 2.834 25.917 -0.741 1.00 0.00 C ATOM 0 H ILE A 93 0.525 26.711 -0.276 1.00 0.00 H new ATOM 0 HA ILE A 93 0.291 27.191 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 93 0.692 24.641 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.039 24.993 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.531 26.669 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.410 23.628 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.292 24.144 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.964 25.121 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.877 26.234 -0.718 1.00 0.00 H new ATOM 0 HD12 ILE A 93 2.213 26.677 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.730 24.975 -0.203 1.00 0.00 H new ATOM 1370 N ALA A 94 -2.192 25.903 -1.449 1.00 0.00 N ATOM 1371 CA ALA A 94 -3.580 25.466 -1.539 1.00 0.00 C ATOM 1372 C ALA A 94 -4.464 26.563 -2.122 1.00 0.00 C ATOM 1373 O ALA A 94 -5.191 26.338 -3.089 1.00 0.00 O ATOM 1374 CB ALA A 94 -4.091 25.047 -0.169 1.00 0.00 C ATOM 0 H ALA A 94 -1.869 26.091 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.622 24.607 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.129 24.723 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.483 24.225 0.210 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.028 25.892 0.517 1.00 0.00 H new ATOM 1380 N GLU A 95 -4.397 27.750 -1.528 1.00 0.00 N ATOM 1381 CA GLU A 95 -5.193 28.881 -1.989 1.00 0.00 C ATOM 1382 C GLU A 95 -4.631 29.449 -3.289 1.00 0.00 C ATOM 1383 O GLU A 95 -5.351 30.071 -4.069 1.00 0.00 O ATOM 1384 CB GLU A 95 -5.236 29.974 -0.919 1.00 0.00 C ATOM 1385 CG GLU A 95 -5.617 29.461 0.460 1.00 0.00 C ATOM 1386 CD GLU A 95 -7.075 29.057 0.549 1.00 0.00 C ATOM 1387 OE1 GLU A 95 -7.862 29.479 -0.324 1.00 0.00 O ATOM 1388 OE2 GLU A 95 -7.430 28.318 1.492 1.00 0.00 O ATOM 0 H GLU A 95 -3.800 27.953 -0.727 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.206 28.526 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.259 30.453 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.950 30.740 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.991 28.605 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.412 30.234 1.201 1.00 0.00 H new ATOM 1395 N GLU A 96 -3.339 29.230 -3.513 1.00 0.00 N ATOM 1396 CA GLU A 96 -2.679 29.721 -4.717 1.00 0.00 C ATOM 1397 C GLU A 96 -3.455 29.315 -5.967 1.00 0.00 C ATOM 1398 O GLU A 96 -3.695 30.133 -6.856 1.00 0.00 O ATOM 1399 CB GLU A 96 -1.248 29.186 -4.796 1.00 0.00 C ATOM 1400 CG GLU A 96 -0.190 30.226 -4.467 1.00 0.00 C ATOM 1401 CD GLU A 96 0.272 30.995 -5.690 1.00 0.00 C ATOM 1402 OE1 GLU A 96 -0.385 30.879 -6.746 1.00 0.00 O ATOM 1403 OE2 GLU A 96 1.290 31.711 -5.591 1.00 0.00 O ATOM 0 H GLU A 96 -2.729 28.716 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.650 30.809 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -1.145 28.346 -4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -1.068 28.802 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.589 30.925 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.667 29.734 -4.006 1.00 0.00 H new ATOM 1410 N LEU A 97 -3.845 28.046 -6.028 1.00 0.00 N ATOM 1411 CA LEU A 97 -4.594 27.529 -7.168 1.00 0.00 C ATOM 1412 C LEU A 97 -5.964 27.020 -6.734 1.00 0.00 C ATOM 1413 O LEU A 97 -6.727 26.495 -7.544 1.00 0.00 O ATOM 1414 CB LEU A 97 -3.811 26.406 -7.850 1.00 0.00 C ATOM 1415 CG LEU A 97 -2.389 26.751 -8.292 1.00 0.00 C ATOM 1416 CD1 LEU A 97 -1.421 25.651 -7.884 1.00 0.00 C ATOM 1417 CD2 LEU A 97 -2.338 26.976 -9.796 1.00 0.00 C ATOM 0 H LEU A 97 -3.655 27.356 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.739 28.344 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.762 25.558 -7.167 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.372 26.078 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.089 27.674 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.414 25.914 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.436 25.537 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.718 24.713 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.318 27.221 -10.093 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.658 26.070 -10.310 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.001 27.799 -10.063 1.00 0.00 H new ATOM 1429 N GLU A 98 -6.270 27.180 -5.450 1.00 0.00 N ATOM 1430 CA GLU A 98 -7.549 26.737 -4.909 1.00 0.00 C ATOM 1431 C GLU A 98 -7.825 25.284 -5.286 1.00 0.00 C ATOM 1432 O GLU A 98 -8.701 24.998 -6.104 1.00 0.00 O ATOM 1433 CB GLU A 98 -8.681 27.631 -5.419 1.00 0.00 C ATOM 1434 CG GLU A 98 -8.372 29.116 -5.328 1.00 0.00 C ATOM 1435 CD GLU A 98 -9.589 29.982 -5.584 1.00 0.00 C ATOM 1436 OE1 GLU A 98 -10.260 29.774 -6.616 1.00 0.00 O ATOM 1437 OE2 GLU A 98 -9.871 30.869 -4.751 1.00 0.00 O ATOM 0 H GLU A 98 -5.650 27.613 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.500 26.810 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.895 27.376 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -9.585 27.421 -4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.973 29.340 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.594 29.366 -6.050 1.00 0.00 H new ATOM 1444 N LEU A 99 -7.073 24.370 -4.684 1.00 0.00 N ATOM 1445 CA LEU A 99 -7.235 22.946 -4.955 1.00 0.00 C ATOM 1446 C LEU A 99 -8.622 22.466 -4.539 1.00 0.00 C ATOM 1447 O LEU A 99 -9.197 22.933 -3.555 1.00 0.00 O ATOM 1448 CB LEU A 99 -6.162 22.141 -4.219 1.00 0.00 C ATOM 1449 CG LEU A 99 -4.829 21.974 -4.950 1.00 0.00 C ATOM 1450 CD1 LEU A 99 -4.986 21.041 -6.140 1.00 0.00 C ATOM 1451 CD2 LEU A 99 -4.293 23.326 -5.396 1.00 0.00 C ATOM 0 H LEU A 99 -6.345 24.589 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.124 22.791 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.970 22.622 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.563 21.150 -4.005 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.111 21.531 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.027 20.934 -6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.324 20.064 -5.794 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.719 21.455 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.344 23.188 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.009 23.797 -6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.141 23.963 -4.524 1.00 0.00 H new ATOM 1463 N PRO A 100 -9.172 21.511 -5.302 1.00 0.00 N ATOM 1464 CA PRO A 100 -10.497 20.945 -5.031 1.00 0.00 C ATOM 1465 C PRO A 100 -10.512 20.085 -3.772 1.00 0.00 C ATOM 1466 O PRO A 100 -9.488 19.555 -3.340 1.00 0.00 O ATOM 1467 CB PRO A 100 -10.777 20.088 -6.267 1.00 0.00 C ATOM 1468 CG PRO A 100 -9.430 19.733 -6.796 1.00 0.00 C ATOM 1469 CD PRO A 100 -8.543 20.908 -6.490 1.00 0.00 C ATOM 0 HA PRO A 100 -11.243 21.720 -4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.348 19.196 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.360 20.638 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.052 18.826 -6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.470 19.543 -7.869 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.518 20.596 -6.287 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.504 21.609 -7.323 1.00 0.00 H new ATOM 1477 N PRO A 101 -11.701 19.941 -3.167 1.00 0.00 N ATOM 1478 CA PRO A 101 -11.879 19.145 -1.949 1.00 0.00 C ATOM 1479 C PRO A 101 -11.718 17.650 -2.205 1.00 0.00 C ATOM 1480 O PRO A 101 -11.677 16.851 -1.270 1.00 0.00 O ATOM 1481 CB PRO A 101 -13.314 19.463 -1.524 1.00 0.00 C ATOM 1482 CG PRO A 101 -14.004 19.860 -2.783 1.00 0.00 C ATOM 1483 CD PRO A 101 -12.963 20.544 -3.626 1.00 0.00 C ATOM 0 HA PRO A 101 -11.133 19.386 -1.192 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.792 18.597 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.340 20.267 -0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.412 18.989 -3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.840 20.528 -2.576 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.129 20.369 -4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.970 21.624 -3.476 1.00 0.00 H new ATOM 1491 N VAL A 102 -11.626 17.279 -3.478 1.00 0.00 N ATOM 1492 CA VAL A 102 -11.468 15.880 -3.857 1.00 0.00 C ATOM 1493 C VAL A 102 -10.175 15.301 -3.294 1.00 0.00 C ATOM 1494 O VAL A 102 -10.149 14.172 -2.803 1.00 0.00 O ATOM 1495 CB VAL A 102 -11.470 15.709 -5.388 1.00 0.00 C ATOM 1496 CG1 VAL A 102 -12.835 16.056 -5.963 1.00 0.00 C ATOM 1497 CG2 VAL A 102 -10.383 16.566 -6.020 1.00 0.00 C ATOM 0 H VAL A 102 -11.658 17.928 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 102 -12.317 15.341 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.260 14.665 -5.620 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -12.817 15.929 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.589 15.397 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -13.078 17.091 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -10.398 16.433 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.561 17.614 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.410 16.265 -5.631 1.00 0.00 H new ATOM 1507 N LYS A 103 -9.102 16.081 -3.367 1.00 0.00 N ATOM 1508 CA LYS A 103 -7.805 15.648 -2.863 1.00 0.00 C ATOM 1509 C LYS A 103 -6.896 16.845 -2.600 1.00 0.00 C ATOM 1510 O LYS A 103 -5.817 16.957 -3.183 1.00 0.00 O ATOM 1511 CB LYS A 103 -7.138 14.698 -3.861 1.00 0.00 C ATOM 1512 CG LYS A 103 -6.169 13.721 -3.217 1.00 0.00 C ATOM 1513 CD LYS A 103 -6.730 12.309 -3.200 1.00 0.00 C ATOM 1514 CE LYS A 103 -6.157 11.468 -4.330 1.00 0.00 C ATOM 1515 NZ LYS A 103 -7.110 11.347 -5.469 1.00 0.00 N ATOM 0 H LYS A 103 -9.106 17.018 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.966 15.122 -1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.910 14.137 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.605 15.286 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -5.225 13.732 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.953 14.040 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.504 11.838 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.816 12.347 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.227 11.916 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.911 10.475 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.683 10.767 -6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.988 10.897 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.325 12.293 -5.844 1.00 0.00 H new ATOM 1529 N ILE A 104 -7.339 17.735 -1.718 1.00 0.00 N ATOM 1530 CA ILE A 104 -6.564 18.921 -1.376 1.00 0.00 C ATOM 1531 C ILE A 104 -5.146 18.549 -0.957 1.00 0.00 C ATOM 1532 O ILE A 104 -4.222 19.357 -1.066 1.00 0.00 O ATOM 1533 CB ILE A 104 -7.230 19.721 -0.241 1.00 0.00 C ATOM 1534 CG1 ILE A 104 -8.629 20.175 -0.661 1.00 0.00 C ATOM 1535 CG2 ILE A 104 -6.371 20.918 0.138 1.00 0.00 C ATOM 1536 CD1 ILE A 104 -9.332 21.012 0.385 1.00 0.00 C ATOM 0 H ILE A 104 -8.230 17.657 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.525 19.541 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.324 19.075 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.554 20.750 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -9.236 19.297 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -6.855 21.473 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.393 20.572 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.248 21.567 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -10.318 21.298 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -9.439 20.433 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -8.746 21.908 0.588 1.00 0.00 H new ATOM 1548 N HIS A 105 -4.979 17.320 -0.478 1.00 0.00 N ATOM 1549 CA HIS A 105 -3.672 16.840 -0.044 1.00 0.00 C ATOM 1550 C HIS A 105 -2.639 16.996 -1.156 1.00 0.00 C ATOM 1551 O HIS A 105 -1.437 17.066 -0.895 1.00 0.00 O ATOM 1552 CB HIS A 105 -3.760 15.375 0.384 1.00 0.00 C ATOM 1553 CG HIS A 105 -2.958 15.059 1.609 1.00 0.00 C ATOM 1554 ND1 HIS A 105 -2.898 15.894 2.705 1.00 0.00 N ATOM 1555 CD2 HIS A 105 -2.181 13.992 1.908 1.00 0.00 C ATOM 1556 CE1 HIS A 105 -2.117 15.354 3.624 1.00 0.00 C ATOM 1557 NE2 HIS A 105 -1.670 14.199 3.165 1.00 0.00 N ATOM 0 H HIS A 105 -5.732 16.639 -0.381 1.00 0.00 H new ATOM 0 HA HIS A 105 -3.356 17.442 0.808 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.804 15.121 0.568 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.418 14.744 -0.437 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -1.997 13.136 1.275 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -1.884 15.784 4.587 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -1.046 13.564 3.664 1.00 0.00 H new ATOM 1565 N CYS A 106 -3.115 17.048 -2.395 1.00 0.00 N ATOM 1566 CA CYS A 106 -2.232 17.194 -3.547 1.00 0.00 C ATOM 1567 C CYS A 106 -1.403 18.470 -3.439 1.00 0.00 C ATOM 1568 O CYS A 106 -0.351 18.593 -4.066 1.00 0.00 O ATOM 1569 CB CYS A 106 -3.047 17.210 -4.841 1.00 0.00 C ATOM 1570 SG CYS A 106 -3.662 15.586 -5.346 1.00 0.00 S ATOM 0 H CYS A 106 -4.106 16.991 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 106 -1.553 16.341 -3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -3.894 17.885 -4.716 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -2.430 17.618 -5.641 1.00 0.00 H new ATOM 0 HG CYS A 106 -4.341 15.703 -6.449 1.00 0.00 H new ATOM 1576 N SER A 107 -1.885 19.417 -2.640 1.00 0.00 N ATOM 1577 CA SER A 107 -1.191 20.686 -2.454 1.00 0.00 C ATOM 1578 C SER A 107 -0.222 20.607 -1.278 1.00 0.00 C ATOM 1579 O SER A 107 0.780 21.322 -1.237 1.00 0.00 O ATOM 1580 CB SER A 107 -2.199 21.813 -2.224 1.00 0.00 C ATOM 1581 OG SER A 107 -2.235 22.698 -3.331 1.00 0.00 O ATOM 0 H SER A 107 -2.753 19.329 -2.111 1.00 0.00 H new ATOM 0 HA SER A 107 -0.621 20.897 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.190 21.391 -2.059 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.934 22.364 -1.322 1.00 0.00 H new ATOM 0 HG SER A 107 -2.047 22.200 -4.154 1.00 0.00 H new ATOM 1587 N ILE A 108 -0.529 19.735 -0.324 1.00 0.00 N ATOM 1588 CA ILE A 108 0.315 19.562 0.852 1.00 0.00 C ATOM 1589 C ILE A 108 1.645 18.912 0.484 1.00 0.00 C ATOM 1590 O ILE A 108 2.650 19.100 1.171 1.00 0.00 O ATOM 1591 CB ILE A 108 -0.383 18.704 1.924 1.00 0.00 C ATOM 1592 CG1 ILE A 108 -1.818 19.189 2.142 1.00 0.00 C ATOM 1593 CG2 ILE A 108 0.400 18.746 3.228 1.00 0.00 C ATOM 1594 CD1 ILE A 108 -1.908 20.639 2.563 1.00 0.00 C ATOM 0 H ILE A 108 -1.355 19.137 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 108 0.499 20.557 1.257 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.417 17.671 1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.384 19.051 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.291 18.568 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -0.106 18.135 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.405 18.358 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.462 19.775 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.954 20.914 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.371 20.780 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.464 21.270 1.793 1.00 0.00 H new ATOM 1606 N LEU A 109 1.643 18.150 -0.603 1.00 0.00 N ATOM 1607 CA LEU A 109 2.851 17.473 -1.065 1.00 0.00 C ATOM 1608 C LEU A 109 3.726 18.419 -1.881 1.00 0.00 C ATOM 1609 O LEU A 109 4.928 18.196 -2.029 1.00 0.00 O ATOM 1610 CB LEU A 109 2.483 16.248 -1.903 1.00 0.00 C ATOM 1611 CG LEU A 109 1.941 15.045 -1.132 1.00 0.00 C ATOM 1612 CD1 LEU A 109 0.560 14.662 -1.641 1.00 0.00 C ATOM 1613 CD2 LEU A 109 2.897 13.866 -1.241 1.00 0.00 C ATOM 0 H LEU A 109 0.819 17.985 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 109 3.415 17.150 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.738 16.548 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.368 15.931 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 109 1.855 15.321 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 109 0.191 13.804 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.122 15.502 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.620 14.406 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.495 13.019 -0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.016 13.590 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 109 3.866 14.144 -0.827 1.00 0.00 H new ATOM 1625 N ALA A 110 3.116 19.475 -2.408 1.00 0.00 N ATOM 1626 CA ALA A 110 3.841 20.457 -3.206 1.00 0.00 C ATOM 1627 C ALA A 110 4.937 21.129 -2.386 1.00 0.00 C ATOM 1628 O ALA A 110 6.041 21.356 -2.878 1.00 0.00 O ATOM 1629 CB ALA A 110 2.880 21.498 -3.761 1.00 0.00 C ATOM 0 H ALA A 110 2.122 19.673 -2.297 1.00 0.00 H new ATOM 0 HA ALA A 110 4.315 19.936 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.434 22.225 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.136 21.008 -4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.380 22.008 -2.937 1.00 0.00 H new ATOM 1635 N GLU A 111 4.623 21.446 -1.134 1.00 0.00 N ATOM 1636 CA GLU A 111 5.582 22.094 -0.247 1.00 0.00 C ATOM 1637 C GLU A 111 6.504 21.066 0.402 1.00 0.00 C ATOM 1638 O GLU A 111 7.618 21.389 0.817 1.00 0.00 O ATOM 1639 CB GLU A 111 4.852 22.894 0.834 1.00 0.00 C ATOM 1640 CG GLU A 111 3.811 22.085 1.590 1.00 0.00 C ATOM 1641 CD GLU A 111 4.097 22.010 3.077 1.00 0.00 C ATOM 1642 OE1 GLU A 111 4.989 21.229 3.471 1.00 0.00 O ATOM 1643 OE2 GLU A 111 3.430 22.733 3.847 1.00 0.00 O ATOM 0 H GLU A 111 3.713 21.265 -0.711 1.00 0.00 H new ATOM 0 HA GLU A 111 6.188 22.774 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.583 23.283 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 111 4.367 23.754 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.828 22.530 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.773 21.076 1.180 1.00 0.00 H new ATOM 1650 N ASP A 112 6.033 19.827 0.486 1.00 0.00 N ATOM 1651 CA ASP A 112 6.814 18.750 1.083 1.00 0.00 C ATOM 1652 C ASP A 112 7.925 18.297 0.140 1.00 0.00 C ATOM 1653 O ASP A 112 8.991 17.870 0.582 1.00 0.00 O ATOM 1654 CB ASP A 112 5.910 17.567 1.431 1.00 0.00 C ATOM 1655 CG ASP A 112 5.126 17.794 2.709 1.00 0.00 C ATOM 1656 OD1 ASP A 112 5.681 18.407 3.645 1.00 0.00 O ATOM 1657 OD2 ASP A 112 3.957 17.359 2.772 1.00 0.00 O ATOM 0 H ASP A 112 5.113 19.543 0.148 1.00 0.00 H new ATOM 0 HA ASP A 112 7.270 19.130 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 112 5.216 17.389 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 112 6.517 16.668 1.535 1.00 0.00 H new ATOM 1662 N ALA A 113 7.666 18.392 -1.160 1.00 0.00 N ATOM 1663 CA ALA A 113 8.644 17.993 -2.164 1.00 0.00 C ATOM 1664 C ALA A 113 9.802 18.984 -2.227 1.00 0.00 C ATOM 1665 O ALA A 113 10.969 18.591 -2.198 1.00 0.00 O ATOM 1666 CB ALA A 113 7.979 17.868 -3.527 1.00 0.00 C ATOM 0 H ALA A 113 6.787 18.742 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 113 9.047 17.022 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.721 17.569 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.191 17.117 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.549 18.828 -3.811 1.00 0.00 H new ATOM 1672 N ILE A 114 9.472 20.268 -2.315 1.00 0.00 N ATOM 1673 CA ILE A 114 10.485 21.314 -2.382 1.00 0.00 C ATOM 1674 C ILE A 114 11.388 21.283 -1.154 1.00 0.00 C ATOM 1675 O ILE A 114 12.589 21.538 -1.246 1.00 0.00 O ATOM 1676 CB ILE A 114 9.846 22.710 -2.501 1.00 0.00 C ATOM 1677 CG1 ILE A 114 8.928 22.978 -1.307 1.00 0.00 C ATOM 1678 CG2 ILE A 114 9.074 22.829 -3.807 1.00 0.00 C ATOM 1679 CD1 ILE A 114 8.204 24.304 -1.387 1.00 0.00 C ATOM 0 H ILE A 114 8.511 20.609 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 114 11.081 21.120 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 114 10.639 23.458 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.193 22.176 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 114 9.519 22.950 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.628 23.821 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.753 22.676 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.287 22.075 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.572 24.427 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 114 8.932 25.114 -1.426 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.586 24.328 -2.285 1.00 0.00 H new ATOM 1691 N LYS A 115 10.802 20.969 -0.003 1.00 0.00 N ATOM 1692 CA LYS A 115 11.553 20.902 1.245 1.00 0.00 C ATOM 1693 C LYS A 115 12.554 19.751 1.216 1.00 0.00 C ATOM 1694 O LYS A 115 13.696 19.899 1.649 1.00 0.00 O ATOM 1695 CB LYS A 115 10.599 20.732 2.429 1.00 0.00 C ATOM 1696 CG LYS A 115 10.670 21.868 3.435 1.00 0.00 C ATOM 1697 CD LYS A 115 11.034 21.364 4.821 1.00 0.00 C ATOM 1698 CE LYS A 115 12.468 20.859 4.872 1.00 0.00 C ATOM 1699 NZ LYS A 115 12.554 19.490 5.452 1.00 0.00 N ATOM 0 H LYS A 115 9.809 20.757 0.091 1.00 0.00 H new ATOM 0 HA LYS A 115 12.103 21.836 1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.579 20.653 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.826 19.794 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.409 22.600 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 115 9.709 22.381 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 115 10.904 22.167 5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.354 20.562 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.887 20.854 3.866 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.073 21.544 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.552 19.242 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.042 19.464 6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.128 18.807 4.794 1.00 0.00 H new ATOM 1713 N ALA A 116 12.118 18.606 0.702 1.00 0.00 N ATOM 1714 CA ALA A 116 12.977 17.432 0.614 1.00 0.00 C ATOM 1715 C ALA A 116 14.263 17.748 -0.142 1.00 0.00 C ATOM 1716 O ALA A 116 15.304 17.140 0.103 1.00 0.00 O ATOM 1717 CB ALA A 116 12.236 16.285 -0.057 1.00 0.00 C ATOM 0 H ALA A 116 11.175 18.466 0.340 1.00 0.00 H new ATOM 0 HA ALA A 116 13.246 17.133 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 116 12.890 15.415 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 116 11.350 16.034 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.937 16.583 -1.062 1.00 0.00 H new ATOM 1723 N ALA A 117 14.183 18.703 -1.063 1.00 0.00 N ATOM 1724 CA ALA A 117 15.340 19.101 -1.854 1.00 0.00 C ATOM 1725 C ALA A 117 16.282 19.985 -1.044 1.00 0.00 C ATOM 1726 O ALA A 117 17.500 19.811 -1.083 1.00 0.00 O ATOM 1727 CB ALA A 117 14.894 19.821 -3.118 1.00 0.00 C ATOM 0 H ALA A 117 13.328 19.215 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 117 15.883 18.199 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 117 15.769 20.112 -3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 117 14.268 19.157 -3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.325 20.711 -2.848 1.00 0.00 H new ATOM 1733 N ILE A 118 15.710 20.934 -0.310 1.00 0.00 N ATOM 1734 CA ILE A 118 16.499 21.845 0.510 1.00 0.00 C ATOM 1735 C ILE A 118 17.207 21.099 1.635 1.00 0.00 C ATOM 1736 O ILE A 118 18.313 21.461 2.034 1.00 0.00 O ATOM 1737 CB ILE A 118 15.623 22.957 1.118 1.00 0.00 C ATOM 1738 CG1 ILE A 118 14.999 23.808 0.010 1.00 0.00 C ATOM 1739 CG2 ILE A 118 16.446 23.824 2.059 1.00 0.00 C ATOM 1740 CD1 ILE A 118 14.043 24.862 0.523 1.00 0.00 C ATOM 0 H ILE A 118 14.703 21.092 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 118 17.242 22.297 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 118 14.819 22.494 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.794 24.294 -0.555 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.469 23.155 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.813 24.605 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 118 16.847 23.208 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 118 17.268 24.281 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 118 13.639 25.427 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.227 24.381 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.573 25.538 1.194 1.00 0.00 H new ATOM 1752 N ALA A 119 16.561 20.053 2.142 1.00 0.00 N ATOM 1753 CA ALA A 119 17.131 19.252 3.218 1.00 0.00 C ATOM 1754 C ALA A 119 18.201 18.304 2.690 1.00 0.00 C ATOM 1755 O ALA A 119 19.076 17.862 3.436 1.00 0.00 O ATOM 1756 CB ALA A 119 16.037 18.472 3.931 1.00 0.00 C ATOM 0 H ALA A 119 15.643 19.741 1.825 1.00 0.00 H new ATOM 0 HA ALA A 119 17.603 19.929 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 119 16.477 17.878 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 119 15.310 19.167 4.351 1.00 0.00 H new ATOM 0 HB3 ALA A 119 15.539 17.811 3.221 1.00 0.00 H new ATOM 1762 N ASP A 120 18.126 17.993 1.401 1.00 0.00 N ATOM 1763 CA ASP A 120 19.089 17.096 0.772 1.00 0.00 C ATOM 1764 C ASP A 120 20.415 17.810 0.525 1.00 0.00 C ATOM 1765 O ASP A 120 21.482 17.201 0.598 1.00 0.00 O ATOM 1766 CB ASP A 120 18.532 16.557 -0.546 1.00 0.00 C ATOM 1767 CG ASP A 120 17.862 15.208 -0.383 1.00 0.00 C ATOM 1768 OD1 ASP A 120 17.216 14.988 0.664 1.00 0.00 O ATOM 1769 OD2 ASP A 120 17.982 14.371 -1.301 1.00 0.00 O ATOM 0 H ASP A 120 17.408 18.349 0.770 1.00 0.00 H new ATOM 0 HA ASP A 120 19.267 16.261 1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 120 17.814 17.269 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 120 19.341 16.472 -1.271 1.00 0.00 H new ATOM 1774 N TYR A 121 20.338 19.103 0.231 1.00 0.00 N ATOM 1775 CA TYR A 121 21.532 19.899 -0.031 1.00 0.00 C ATOM 1776 C TYR A 121 22.398 20.009 1.219 1.00 0.00 C ATOM 1777 O TYR A 121 23.609 19.789 1.172 1.00 0.00 O ATOM 1778 CB TYR A 121 21.142 21.295 -0.520 1.00 0.00 C ATOM 1779 CG TYR A 121 22.300 22.267 -0.563 1.00 0.00 C ATOM 1780 CD1 TYR A 121 23.544 21.873 -1.039 1.00 0.00 C ATOM 1781 CD2 TYR A 121 22.149 23.577 -0.127 1.00 0.00 C ATOM 1782 CE1 TYR A 121 24.606 22.757 -1.080 1.00 0.00 C ATOM 1783 CE2 TYR A 121 23.204 24.468 -0.165 1.00 0.00 C ATOM 1784 CZ TYR A 121 24.430 24.054 -0.642 1.00 0.00 C ATOM 1785 OH TYR A 121 25.484 24.938 -0.680 1.00 0.00 O ATOM 0 H TYR A 121 19.462 19.622 0.168 1.00 0.00 H new ATOM 0 HA TYR A 121 22.109 19.397 -0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 121 20.709 21.214 -1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 121 20.366 21.696 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 121 23.684 20.859 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 121 21.191 23.905 0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 121 25.567 22.435 -1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 121 23.069 25.484 0.177 1.00 0.00 H new ATOM 0 HH TYR A 121 25.193 25.809 -0.338 1.00 0.00 H new ATOM 1795 N LYS A 122 21.770 20.352 2.339 1.00 0.00 N ATOM 1796 CA LYS A 122 22.480 20.490 3.604 1.00 0.00 C ATOM 1797 C LYS A 122 23.210 19.200 3.962 1.00 0.00 C ATOM 1798 O LYS A 122 24.203 19.218 4.690 1.00 0.00 O ATOM 1799 CB LYS A 122 21.504 20.864 4.722 1.00 0.00 C ATOM 1800 CG LYS A 122 20.584 22.018 4.366 1.00 0.00 C ATOM 1801 CD LYS A 122 20.278 22.882 5.578 1.00 0.00 C ATOM 1802 CE LYS A 122 18.927 22.534 6.184 1.00 0.00 C ATOM 1803 NZ LYS A 122 19.062 21.981 7.559 1.00 0.00 N ATOM 0 H LYS A 122 20.769 20.540 2.395 1.00 0.00 H new ATOM 0 HA LYS A 122 23.218 21.285 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 122 20.899 19.992 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 122 22.071 21.125 5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.048 22.628 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.654 21.629 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.059 22.750 6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 122 20.288 23.933 5.289 1.00 0.00 H new ATOM 0 HE2 LYS A 122 18.301 23.426 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 122 18.420 21.808 5.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 18.119 21.757 7.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 19.639 21.116 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 19.523 22.684 8.172 1.00 0.00 H new ATOM 1817 N SER A 123 22.712 18.081 3.446 1.00 0.00 N ATOM 1818 CA SER A 123 23.316 16.781 3.713 1.00 0.00 C ATOM 1819 C SER A 123 24.556 16.570 2.850 1.00 0.00 C ATOM 1820 O SER A 123 25.426 15.761 3.177 1.00 0.00 O ATOM 1821 CB SER A 123 22.305 15.662 3.455 1.00 0.00 C ATOM 1822 OG SER A 123 22.184 14.814 4.584 1.00 0.00 O ATOM 0 H SER A 123 21.892 18.049 2.841 1.00 0.00 H new ATOM 0 HA SER A 123 23.615 16.756 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 123 21.333 16.094 3.215 1.00 0.00 H new ATOM 0 HB3 SER A 123 22.617 15.078 2.589 1.00 0.00 H new ATOM 0 HG SER A 123 21.531 14.108 4.395 1.00 0.00 H new ATOM 1828 N LYS A 124 24.631 17.303 1.744 1.00 0.00 N ATOM 1829 CA LYS A 124 25.764 17.199 0.832 1.00 0.00 C ATOM 1830 C LYS A 124 26.986 17.914 1.399 1.00 0.00 C ATOM 1831 O LYS A 124 28.112 17.685 0.956 1.00 0.00 O ATOM 1832 CB LYS A 124 25.402 17.789 -0.533 1.00 0.00 C ATOM 1833 CG LYS A 124 24.240 17.084 -1.211 1.00 0.00 C ATOM 1834 CD LYS A 124 24.683 15.790 -1.874 1.00 0.00 C ATOM 1835 CE LYS A 124 23.562 15.172 -2.695 1.00 0.00 C ATOM 1836 NZ LYS A 124 24.083 14.425 -3.872 1.00 0.00 N ATOM 0 H LYS A 124 23.920 17.976 1.458 1.00 0.00 H new ATOM 0 HA LYS A 124 26.006 16.143 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 124 25.154 18.843 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 124 26.275 17.741 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 124 23.464 16.870 -0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 124 23.799 17.744 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 124 25.541 15.985 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 124 25.010 15.083 -1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 124 22.980 14.498 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 124 22.885 15.956 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 23.288 14.019 -4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.617 15.073 -4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 24.709 13.660 -3.548 1.00 0.00 H new ATOM 1850 N ARG A 125 26.757 18.780 2.381 1.00 0.00 N ATOM 1851 CA ARG A 125 27.840 19.528 3.008 1.00 0.00 C ATOM 1852 C ARG A 125 27.963 19.171 4.486 1.00 0.00 C ATOM 1853 O ARG A 125 28.930 19.549 5.147 1.00 0.00 O ATOM 1854 CB ARG A 125 27.605 21.032 2.853 1.00 0.00 C ATOM 1855 CG ARG A 125 26.296 21.510 3.461 1.00 0.00 C ATOM 1856 CD ARG A 125 26.468 21.896 4.922 1.00 0.00 C ATOM 1857 NE ARG A 125 25.570 22.980 5.310 1.00 0.00 N ATOM 1858 CZ ARG A 125 25.590 23.558 6.506 1.00 0.00 C ATOM 1859 NH1 ARG A 125 26.459 23.159 7.424 1.00 0.00 N ATOM 1860 NH2 ARG A 125 24.741 24.539 6.785 1.00 0.00 N ATOM 0 H ARG A 125 25.831 18.981 2.759 1.00 0.00 H new ATOM 0 HA ARG A 125 28.771 19.259 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.430 21.570 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.618 21.286 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 125 25.924 22.366 2.899 1.00 0.00 H new ATOM 0 HG3 ARG A 125 25.546 20.723 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 125 26.280 21.026 5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 125 27.500 22.199 5.098 1.00 0.00 H new ATOM 0 HE ARG A 125 24.890 23.312 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 125 27.114 22.407 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 125 26.472 23.604 8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 125 24.072 24.850 6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.757 24.982 7.704 1.00 0.00 H new