USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 86 THR OG1 : rot -170:sc= -2.32 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.789 K(o=-3.1,f=-7.9!) USER MOD Set 2.1: A 62 SER OG : rot 106:sc= 1.14 USER MOD Set 2.2: A 69 THR OG1 : rot 161:sc= 0.712 USER MOD Set 3.1: A 68 GLN : amide:sc= -0.223 K(o=-0.82,f=-2.3) USER MOD Set 3.2: A 71 GLN : amide:sc= -0.598 K(o=-0.82,f=-5!) USER MOD Set 4.1: A 38 LYS NZ :NH3+ -129:sc= -0.0198 (180deg=-0.332) USER MOD Set 4.2: A 99 HIS : no HD1:sc= -0.0727 X(o=-0.093,f=-0.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 169:sc= 0.132! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.5 K(o=-1.5,f=-0.24!) USER MOD Single : A 52 SER OG : rot -106:sc= 1.18 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.8!) USER MOD Single : A 56 GLN : amide:sc=-0.00372 X(o=-0.0037,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.0174 (180deg=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ -120:sc=-0.00126 (180deg=-0.0699) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -2.48 X(o=-2.5,f=-2) USER MOD Single : A 93 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.37) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 380 N LYS A 31 6.015 -5.308 -10.156 1.00 0.00 N ATOM 381 CA LYS A 31 7.002 -4.457 -9.427 1.00 0.00 C ATOM 382 C LYS A 31 6.508 -3.013 -9.472 1.00 0.00 C ATOM 383 O LYS A 31 7.269 -2.081 -9.639 1.00 0.00 O ATOM 384 CB LYS A 31 8.315 -4.610 -10.196 1.00 0.00 C ATOM 385 CG LYS A 31 9.043 -5.868 -9.721 1.00 0.00 C ATOM 386 CD LYS A 31 10.555 -5.634 -9.771 1.00 0.00 C ATOM 387 CE LYS A 31 11.285 -6.968 -9.596 1.00 0.00 C ATOM 388 NZ LYS A 31 12.694 -6.596 -9.284 1.00 0.00 N ATOM 0 HA LYS A 31 7.131 -4.739 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.116 -4.674 -11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.944 -3.733 -10.041 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.736 -6.116 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.775 -6.716 -10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.832 -5.178 -10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.852 -4.939 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.844 -7.557 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.227 -7.572 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.259 -7.459 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.089 -6.042 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.718 -6.027 -8.413 1.00 0.00 H new ATOM 402 N ILE A 32 5.218 -2.842 -9.366 1.00 0.00 N ATOM 403 CA ILE A 32 4.631 -1.478 -9.446 1.00 0.00 C ATOM 404 C ILE A 32 5.222 -0.570 -8.361 1.00 0.00 C ATOM 405 O ILE A 32 5.046 -0.803 -7.182 1.00 0.00 O ATOM 406 CB ILE A 32 3.128 -1.678 -9.219 1.00 0.00 C ATOM 407 CG1 ILE A 32 2.538 -2.478 -10.386 1.00 0.00 C ATOM 408 CG2 ILE A 32 2.431 -0.315 -9.135 1.00 0.00 C ATOM 409 CD1 ILE A 32 2.197 -3.893 -9.917 1.00 0.00 C ATOM 0 H ILE A 32 4.543 -3.594 -9.227 1.00 0.00 H new ATOM 0 HA ILE A 32 4.841 -0.999 -10.402 1.00 0.00 H new ATOM 0 HB ILE A 32 2.974 -2.221 -8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.643 -1.983 -10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.251 -2.519 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.363 -0.462 -8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.848 0.256 -8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.586 0.231 -10.066 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.778 -4.461 -10.748 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.101 -4.386 -9.561 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.468 -3.842 -9.108 1.00 0.00 H new ATOM 421 N ILE A 33 5.917 0.466 -8.754 1.00 0.00 N ATOM 422 CA ILE A 33 6.511 1.392 -7.744 1.00 0.00 C ATOM 423 C ILE A 33 5.557 2.562 -7.484 1.00 0.00 C ATOM 424 O ILE A 33 4.701 2.869 -8.294 1.00 0.00 O ATOM 425 CB ILE A 33 7.839 1.866 -8.349 1.00 0.00 C ATOM 426 CG1 ILE A 33 7.573 2.737 -9.591 1.00 0.00 C ATOM 427 CG2 ILE A 33 8.675 0.637 -8.732 1.00 0.00 C ATOM 428 CD1 ILE A 33 8.813 2.766 -10.488 1.00 0.00 C ATOM 0 H ILE A 33 6.099 0.710 -9.728 1.00 0.00 H new ATOM 0 HA ILE A 33 6.677 0.908 -6.781 1.00 0.00 H new ATOM 0 HB ILE A 33 8.383 2.466 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.722 2.342 -10.146 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.312 3.750 -9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.622 0.961 -9.163 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.868 0.037 -7.843 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.130 0.039 -9.462 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.614 3.384 -11.363 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.654 3.182 -9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.055 1.752 -10.807 1.00 0.00 H new ATOM 440 N LYS A 34 5.682 3.204 -6.353 1.00 0.00 N ATOM 441 CA LYS A 34 4.768 4.340 -6.028 1.00 0.00 C ATOM 442 C LYS A 34 5.366 5.671 -6.492 1.00 0.00 C ATOM 443 O LYS A 34 6.563 5.878 -6.443 1.00 0.00 O ATOM 444 CB LYS A 34 4.639 4.318 -4.505 1.00 0.00 C ATOM 445 CG LYS A 34 3.809 3.105 -4.081 1.00 0.00 C ATOM 446 CD LYS A 34 2.342 3.515 -3.936 1.00 0.00 C ATOM 447 CE LYS A 34 1.445 2.287 -4.120 1.00 0.00 C ATOM 448 NZ LYS A 34 0.948 1.965 -2.753 1.00 0.00 N ATOM 0 H LYS A 34 6.378 2.991 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 34 3.804 4.241 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.627 4.274 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.166 5.236 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.904 2.310 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.182 2.708 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.173 3.958 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.091 4.275 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.620 2.499 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.002 1.452 -4.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.325 1.133 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.755 1.761 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.416 2.776 -2.377 1.00 0.00 H new ATOM 462 N VAL A 35 4.535 6.574 -6.940 1.00 0.00 N ATOM 463 CA VAL A 35 5.042 7.898 -7.405 1.00 0.00 C ATOM 464 C VAL A 35 4.183 9.023 -6.819 1.00 0.00 C ATOM 465 O VAL A 35 3.017 9.153 -7.136 1.00 0.00 O ATOM 466 CB VAL A 35 4.909 7.864 -8.929 1.00 0.00 C ATOM 467 CG1 VAL A 35 5.514 9.137 -9.523 1.00 0.00 C ATOM 468 CG2 VAL A 35 5.651 6.643 -9.482 1.00 0.00 C ATOM 0 H VAL A 35 3.524 6.451 -7.004 1.00 0.00 H new ATOM 0 HA VAL A 35 6.070 8.080 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 35 3.855 7.801 -9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.419 9.113 -10.609 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.987 10.007 -9.132 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.568 9.200 -9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.555 6.620 -10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.705 6.705 -9.212 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.221 5.734 -9.061 1.00 0.00 H new ATOM 478 N THR A 36 4.749 9.834 -5.965 1.00 0.00 N ATOM 479 CA THR A 36 3.961 10.949 -5.359 1.00 0.00 C ATOM 480 C THR A 36 4.050 12.200 -6.236 1.00 0.00 C ATOM 481 O THR A 36 5.077 12.845 -6.311 1.00 0.00 O ATOM 482 CB THR A 36 4.607 11.200 -3.995 1.00 0.00 C ATOM 483 OG1 THR A 36 4.662 9.980 -3.268 1.00 0.00 O ATOM 484 CG2 THR A 36 3.779 12.224 -3.218 1.00 0.00 C ATOM 0 H THR A 36 5.721 9.774 -5.661 1.00 0.00 H new ATOM 0 HA THR A 36 2.903 10.702 -5.267 1.00 0.00 H new ATOM 0 HB THR A 36 5.617 11.585 -4.135 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.077 10.138 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.240 12.402 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.738 13.159 -3.777 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.768 11.842 -3.076 1.00 0.00 H new ATOM 492 N VAL A 37 2.979 12.545 -6.900 1.00 0.00 N ATOM 493 CA VAL A 37 2.998 13.755 -7.773 1.00 0.00 C ATOM 494 C VAL A 37 2.323 14.928 -7.060 1.00 0.00 C ATOM 495 O VAL A 37 1.209 14.821 -6.585 1.00 0.00 O ATOM 496 CB VAL A 37 2.207 13.359 -9.022 1.00 0.00 C ATOM 497 CG1 VAL A 37 2.197 14.530 -10.008 1.00 0.00 C ATOM 498 CG2 VAL A 37 2.861 12.141 -9.682 1.00 0.00 C ATOM 0 H VAL A 37 2.092 12.042 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 37 4.012 14.071 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 37 1.184 13.110 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.634 14.251 -10.899 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.729 15.396 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.221 14.778 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.296 11.861 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.885 12.386 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.869 11.307 -8.980 1.00 0.00 H new ATOM 508 N LYS A 38 2.989 16.049 -6.987 1.00 0.00 N ATOM 509 CA LYS A 38 2.387 17.234 -6.311 1.00 0.00 C ATOM 510 C LYS A 38 1.791 18.180 -7.355 1.00 0.00 C ATOM 511 O LYS A 38 2.474 18.641 -8.247 1.00 0.00 O ATOM 512 CB LYS A 38 3.548 17.904 -5.576 1.00 0.00 C ATOM 513 CG LYS A 38 3.034 18.552 -4.288 1.00 0.00 C ATOM 514 CD LYS A 38 2.757 20.036 -4.538 1.00 0.00 C ATOM 515 CE LYS A 38 2.598 20.758 -3.199 1.00 0.00 C ATOM 516 NZ LYS A 38 3.987 20.963 -2.704 1.00 0.00 N ATOM 0 H LYS A 38 3.924 16.195 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 38 1.582 16.961 -5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.317 17.168 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.010 18.657 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.124 18.052 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.770 18.438 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.575 20.479 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.853 20.152 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.079 21.708 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.013 20.164 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.061 20.618 -1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.652 20.438 -3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.220 21.976 -2.732 1.00 0.00 H new ATOM 530 N THR A 39 0.523 18.471 -7.250 1.00 0.00 N ATOM 531 CA THR A 39 -0.118 19.385 -8.240 1.00 0.00 C ATOM 532 C THR A 39 -0.724 20.595 -7.519 1.00 0.00 C ATOM 533 O THR A 39 -0.880 20.580 -6.314 1.00 0.00 O ATOM 534 CB THR A 39 -1.213 18.543 -8.900 1.00 0.00 C ATOM 535 OG1 THR A 39 -1.897 17.792 -7.905 1.00 0.00 O ATOM 536 CG2 THR A 39 -0.583 17.592 -9.921 1.00 0.00 C ATOM 0 H THR A 39 -0.097 18.116 -6.522 1.00 0.00 H new ATOM 0 HA THR A 39 0.591 19.774 -8.971 1.00 0.00 H new ATOM 0 HB THR A 39 -1.920 19.199 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.707 17.399 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.363 16.993 -10.390 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.062 18.170 -10.684 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.125 16.934 -9.417 1.00 0.00 H new ATOM 544 N PRO A 40 -1.046 21.612 -8.280 1.00 0.00 N ATOM 545 CA PRO A 40 -1.639 22.840 -7.690 1.00 0.00 C ATOM 546 C PRO A 40 -3.076 22.572 -7.230 1.00 0.00 C ATOM 547 O PRO A 40 -4.013 23.187 -7.700 1.00 0.00 O ATOM 548 CB PRO A 40 -1.612 23.840 -8.844 1.00 0.00 C ATOM 549 CG PRO A 40 -1.605 23.002 -10.082 1.00 0.00 C ATOM 550 CD PRO A 40 -0.894 21.719 -9.737 1.00 0.00 C ATOM 0 HA PRO A 40 -1.102 23.197 -6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.481 24.497 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.729 24.477 -8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.622 22.802 -10.419 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.096 23.519 -10.896 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.339 20.866 -10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.156 21.753 -10.028 1.00 0.00 H new ATOM 558 N LYS A 41 -3.251 21.657 -6.313 1.00 0.00 N ATOM 559 CA LYS A 41 -4.621 21.339 -5.811 1.00 0.00 C ATOM 560 C LYS A 41 -4.529 20.329 -4.666 1.00 0.00 C ATOM 561 O LYS A 41 -5.157 20.483 -3.636 1.00 0.00 O ATOM 562 CB LYS A 41 -5.356 20.726 -7.006 1.00 0.00 C ATOM 563 CG LYS A 41 -6.863 20.929 -6.837 1.00 0.00 C ATOM 564 CD LYS A 41 -7.445 19.773 -6.023 1.00 0.00 C ATOM 565 CE LYS A 41 -8.950 19.672 -6.284 1.00 0.00 C ATOM 566 NZ LYS A 41 -9.586 20.387 -5.144 1.00 0.00 N ATOM 0 H LYS A 41 -2.500 21.113 -5.888 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.138 22.219 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.017 21.191 -7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.128 19.663 -7.081 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.059 21.876 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.346 20.980 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.954 18.839 -6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.259 19.932 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.217 20.130 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.274 18.632 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.620 20.361 -5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.319 19.924 -4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.264 21.376 -5.131 1.00 0.00 H new ATOM 580 N GLU A 42 -3.747 19.296 -4.841 1.00 0.00 N ATOM 581 CA GLU A 42 -3.604 18.269 -3.769 1.00 0.00 C ATOM 582 C GLU A 42 -2.481 17.290 -4.127 1.00 0.00 C ATOM 583 O GLU A 42 -1.812 17.439 -5.131 1.00 0.00 O ATOM 584 CB GLU A 42 -4.952 17.543 -3.725 1.00 0.00 C ATOM 585 CG GLU A 42 -5.732 17.982 -2.483 1.00 0.00 C ATOM 586 CD GLU A 42 -6.609 16.827 -1.996 1.00 0.00 C ATOM 587 OE1 GLU A 42 -7.638 16.592 -2.608 1.00 0.00 O ATOM 588 OE2 GLU A 42 -6.237 16.199 -1.018 1.00 0.00 O ATOM 0 H GLU A 42 -3.200 19.120 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.351 18.712 -2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.526 17.766 -4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.795 16.465 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.042 18.286 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.350 18.849 -2.716 1.00 0.00 H new ATOM 595 N LYS A 43 -2.275 16.288 -3.314 1.00 0.00 N ATOM 596 CA LYS A 43 -1.201 15.295 -3.605 1.00 0.00 C ATOM 597 C LYS A 43 -1.825 13.959 -4.017 1.00 0.00 C ATOM 598 O LYS A 43 -2.663 13.417 -3.322 1.00 0.00 O ATOM 599 CB LYS A 43 -0.432 15.145 -2.291 1.00 0.00 C ATOM 600 CG LYS A 43 0.692 16.184 -2.230 1.00 0.00 C ATOM 601 CD LYS A 43 0.339 17.264 -1.205 1.00 0.00 C ATOM 602 CE LYS A 43 1.621 17.816 -0.580 1.00 0.00 C ATOM 603 NZ LYS A 43 1.203 18.352 0.745 1.00 0.00 N ATOM 0 H LYS A 43 -2.805 16.115 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.551 15.612 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.108 15.276 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.016 14.140 -2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.631 15.703 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.838 16.634 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.219 18.068 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.305 16.848 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.374 17.036 -0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.059 18.597 -1.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.030 18.749 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.490 19.097 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.796 17.585 1.317 1.00 0.00 H new ATOM 617 N GLU A 44 -1.429 13.427 -5.142 1.00 0.00 N ATOM 618 CA GLU A 44 -2.009 12.128 -5.595 1.00 0.00 C ATOM 619 C GLU A 44 -0.897 11.158 -6.002 1.00 0.00 C ATOM 620 O GLU A 44 -0.125 11.425 -6.902 1.00 0.00 O ATOM 621 CB GLU A 44 -2.881 12.482 -6.804 1.00 0.00 C ATOM 622 CG GLU A 44 -4.337 12.115 -6.512 1.00 0.00 C ATOM 623 CD GLU A 44 -5.117 12.031 -7.826 1.00 0.00 C ATOM 624 OE1 GLU A 44 -5.020 12.963 -8.609 1.00 0.00 O ATOM 625 OE2 GLU A 44 -5.796 11.039 -8.027 1.00 0.00 O ATOM 0 H GLU A 44 -0.732 13.833 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.581 11.638 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.801 13.547 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.531 11.947 -7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.384 11.161 -5.987 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.787 12.861 -5.857 1.00 0.00 H new ATOM 632 N GLU A 45 -0.818 10.029 -5.350 1.00 0.00 N ATOM 633 CA GLU A 45 0.236 9.033 -5.702 1.00 0.00 C ATOM 634 C GLU A 45 -0.227 8.185 -6.889 1.00 0.00 C ATOM 635 O GLU A 45 -1.402 7.917 -7.046 1.00 0.00 O ATOM 636 CB GLU A 45 0.396 8.166 -4.453 1.00 0.00 C ATOM 637 CG GLU A 45 1.382 8.830 -3.491 1.00 0.00 C ATOM 638 CD GLU A 45 1.386 8.074 -2.161 1.00 0.00 C ATOM 639 OE1 GLU A 45 0.314 7.715 -1.704 1.00 0.00 O ATOM 640 OE2 GLU A 45 2.462 7.866 -1.624 1.00 0.00 O ATOM 0 H GLU A 45 -1.438 9.753 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 45 1.176 9.504 -5.990 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.569 8.032 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.754 7.174 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.383 8.832 -3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.103 9.871 -3.329 1.00 0.00 H new ATOM 647 N PHE A 46 0.682 7.766 -7.727 1.00 0.00 N ATOM 648 CA PHE A 46 0.284 6.940 -8.900 1.00 0.00 C ATOM 649 C PHE A 46 1.045 5.613 -8.902 1.00 0.00 C ATOM 650 O PHE A 46 2.259 5.582 -8.945 1.00 0.00 O ATOM 651 CB PHE A 46 0.668 7.779 -10.120 1.00 0.00 C ATOM 652 CG PHE A 46 -0.540 8.536 -10.614 1.00 0.00 C ATOM 653 CD1 PHE A 46 -0.821 9.811 -10.108 1.00 0.00 C ATOM 654 CD2 PHE A 46 -1.380 7.965 -11.577 1.00 0.00 C ATOM 655 CE1 PHE A 46 -1.942 10.514 -10.566 1.00 0.00 C ATOM 656 CE2 PHE A 46 -2.500 8.667 -12.035 1.00 0.00 C ATOM 657 CZ PHE A 46 -2.782 9.942 -11.529 1.00 0.00 C ATOM 0 H PHE A 46 1.680 7.960 -7.650 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.778 6.694 -8.888 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.465 8.476 -9.859 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.054 7.135 -10.910 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.173 10.252 -9.365 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.163 6.981 -11.967 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.159 11.498 -10.176 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.147 8.226 -12.779 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.647 10.484 -11.882 1.00 0.00 H new ATOM 667 N ALA A 47 0.336 4.519 -8.868 1.00 0.00 N ATOM 668 CA ALA A 47 1.009 3.190 -8.884 1.00 0.00 C ATOM 669 C ALA A 47 1.232 2.765 -10.333 1.00 0.00 C ATOM 670 O ALA A 47 0.313 2.749 -11.128 1.00 0.00 O ATOM 671 CB ALA A 47 0.039 2.240 -8.182 1.00 0.00 C ATOM 0 H ALA A 47 -0.683 4.488 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 47 1.980 3.198 -8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.467 1.238 -8.155 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.137 2.587 -7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.905 2.217 -8.726 1.00 0.00 H new ATOM 677 N VAL A 48 2.441 2.436 -10.693 1.00 0.00 N ATOM 678 CA VAL A 48 2.706 2.034 -12.098 1.00 0.00 C ATOM 679 C VAL A 48 3.751 0.918 -12.128 1.00 0.00 C ATOM 680 O VAL A 48 4.594 0.844 -11.257 1.00 0.00 O ATOM 681 CB VAL A 48 3.227 3.305 -12.776 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.175 4.414 -12.654 1.00 0.00 C ATOM 683 CG2 VAL A 48 4.522 3.762 -12.095 1.00 0.00 C ATOM 0 H VAL A 48 3.253 2.429 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 48 1.822 1.646 -12.604 1.00 0.00 H new ATOM 0 HB VAL A 48 3.424 3.096 -13.828 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.543 5.320 -13.136 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.252 4.095 -13.138 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.981 4.617 -11.601 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.889 4.666 -12.581 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.326 3.969 -11.043 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.273 2.976 -12.177 1.00 0.00 H new ATOM 693 N PRO A 49 3.661 0.078 -13.125 1.00 0.00 N ATOM 694 CA PRO A 49 4.613 -1.050 -13.245 1.00 0.00 C ATOM 695 C PRO A 49 6.020 -0.540 -13.547 1.00 0.00 C ATOM 696 O PRO A 49 6.240 0.167 -14.511 1.00 0.00 O ATOM 697 CB PRO A 49 4.058 -1.872 -14.406 1.00 0.00 C ATOM 698 CG PRO A 49 3.252 -0.902 -15.207 1.00 0.00 C ATOM 699 CD PRO A 49 2.690 0.095 -14.228 1.00 0.00 C ATOM 0 HA PRO A 49 4.702 -1.633 -12.328 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.860 -2.307 -15.002 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.443 -2.698 -14.048 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.872 -0.406 -15.954 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.452 -1.412 -15.744 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.603 1.087 -14.671 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.694 -0.192 -13.890 1.00 0.00 H new ATOM 707 N GLU A 50 6.964 -0.895 -12.711 1.00 0.00 N ATOM 708 CA GLU A 50 8.388 -0.457 -12.894 1.00 0.00 C ATOM 709 C GLU A 50 8.725 -0.192 -14.369 1.00 0.00 C ATOM 710 O GLU A 50 9.350 0.796 -14.702 1.00 0.00 O ATOM 711 CB GLU A 50 9.224 -1.630 -12.367 1.00 0.00 C ATOM 712 CG GLU A 50 9.873 -1.251 -11.032 1.00 0.00 C ATOM 713 CD GLU A 50 11.354 -1.636 -11.054 1.00 0.00 C ATOM 714 OE1 GLU A 50 11.985 -1.425 -12.077 1.00 0.00 O ATOM 715 OE2 GLU A 50 11.832 -2.135 -10.048 1.00 0.00 O ATOM 0 H GLU A 50 6.807 -1.482 -11.892 1.00 0.00 H new ATOM 0 HA GLU A 50 8.583 0.479 -12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.592 -2.509 -12.237 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.993 -1.895 -13.093 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.768 -0.181 -10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.366 -1.760 -10.212 1.00 0.00 H new ATOM 722 N ASN A 51 8.317 -1.062 -15.253 1.00 0.00 N ATOM 723 CA ASN A 51 8.619 -0.848 -16.700 1.00 0.00 C ATOM 724 C ASN A 51 7.555 0.050 -17.345 1.00 0.00 C ATOM 725 O ASN A 51 7.044 -0.246 -18.407 1.00 0.00 O ATOM 726 CB ASN A 51 8.597 -2.245 -17.323 1.00 0.00 C ATOM 727 CG ASN A 51 7.200 -2.857 -17.176 1.00 0.00 C ATOM 728 OD1 ASN A 51 6.322 -2.593 -17.973 1.00 0.00 O ATOM 729 ND2 ASN A 51 6.958 -3.668 -16.183 1.00 0.00 N ATOM 0 H ASN A 51 7.790 -1.908 -15.039 1.00 0.00 H new ATOM 0 HA ASN A 51 9.578 -0.351 -16.849 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.870 -2.188 -18.377 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.336 -2.882 -16.837 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.031 -4.081 -16.076 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.695 -3.889 -15.514 1.00 0.00 H new ATOM 736 N SER A 52 7.223 1.146 -16.713 1.00 0.00 N ATOM 737 CA SER A 52 6.197 2.063 -17.290 1.00 0.00 C ATOM 738 C SER A 52 6.853 3.375 -17.731 1.00 0.00 C ATOM 739 O SER A 52 7.172 4.222 -16.921 1.00 0.00 O ATOM 740 CB SER A 52 5.206 2.315 -16.154 1.00 0.00 C ATOM 741 OG SER A 52 5.923 2.595 -14.960 1.00 0.00 O ATOM 0 H SER A 52 7.619 1.445 -15.822 1.00 0.00 H new ATOM 0 HA SER A 52 5.710 1.639 -18.168 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.553 3.151 -16.404 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.568 1.443 -16.013 1.00 0.00 H new ATOM 0 HG SER A 52 5.877 1.820 -14.361 1.00 0.00 H new ATOM 747 N SER A 53 7.056 3.547 -19.011 1.00 0.00 N ATOM 748 CA SER A 53 7.691 4.805 -19.504 1.00 0.00 C ATOM 749 C SER A 53 6.832 6.014 -19.124 1.00 0.00 C ATOM 750 O SER A 53 5.626 5.917 -19.003 1.00 0.00 O ATOM 751 CB SER A 53 7.758 4.650 -21.023 1.00 0.00 C ATOM 752 OG SER A 53 8.825 5.440 -21.530 1.00 0.00 O ATOM 0 H SER A 53 6.810 2.872 -19.735 1.00 0.00 H new ATOM 0 HA SER A 53 8.677 4.967 -19.069 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.908 3.603 -21.287 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.815 4.960 -21.473 1.00 0.00 H new ATOM 0 HG SER A 53 8.871 5.341 -22.504 1.00 0.00 H new ATOM 758 N VAL A 54 7.444 7.153 -18.935 1.00 0.00 N ATOM 759 CA VAL A 54 6.665 8.370 -18.562 1.00 0.00 C ATOM 760 C VAL A 54 5.635 8.703 -19.638 1.00 0.00 C ATOM 761 O VAL A 54 4.579 9.197 -19.337 1.00 0.00 O ATOM 762 CB VAL A 54 7.681 9.501 -18.417 1.00 0.00 C ATOM 763 CG1 VAL A 54 6.943 10.820 -18.133 1.00 0.00 C ATOM 764 CG2 VAL A 54 8.625 9.181 -17.253 1.00 0.00 C ATOM 0 H VAL A 54 8.450 7.293 -19.023 1.00 0.00 H new ATOM 0 HA VAL A 54 6.113 8.216 -17.635 1.00 0.00 H new ATOM 0 HB VAL A 54 8.255 9.600 -19.338 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.668 11.627 -18.029 1.00 0.00 H new ATOM 0 HG12 VAL A 54 6.266 11.043 -18.958 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.371 10.725 -17.210 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.353 9.985 -17.144 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.049 9.086 -16.333 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.145 8.244 -17.454 1.00 0.00 H new ATOM 774 N GLN A 55 5.935 8.462 -20.886 1.00 0.00 N ATOM 775 CA GLN A 55 4.954 8.799 -21.969 1.00 0.00 C ATOM 776 C GLN A 55 3.556 8.267 -21.619 1.00 0.00 C ATOM 777 O GLN A 55 2.576 8.985 -21.690 1.00 0.00 O ATOM 778 CB GLN A 55 5.493 8.106 -23.221 1.00 0.00 C ATOM 779 CG GLN A 55 5.193 8.967 -24.450 1.00 0.00 C ATOM 780 CD GLN A 55 3.900 8.484 -25.110 1.00 0.00 C ATOM 781 OE1 GLN A 55 3.595 7.308 -25.087 1.00 0.00 O ATOM 782 NE2 GLN A 55 3.123 9.349 -25.702 1.00 0.00 N ATOM 0 H GLN A 55 6.811 8.049 -21.206 1.00 0.00 H new ATOM 0 HA GLN A 55 4.852 9.875 -22.107 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.567 7.948 -23.128 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.035 7.123 -23.332 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.096 10.013 -24.159 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.019 8.908 -25.159 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.380 10.336 -25.721 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.259 9.038 -26.146 1.00 0.00 H new ATOM 791 N GLN A 56 3.457 7.024 -21.229 1.00 0.00 N ATOM 792 CA GLN A 56 2.120 6.464 -20.864 1.00 0.00 C ATOM 793 C GLN A 56 1.576 7.188 -19.629 1.00 0.00 C ATOM 794 O GLN A 56 0.457 7.662 -19.613 1.00 0.00 O ATOM 795 CB GLN A 56 2.377 4.988 -20.553 1.00 0.00 C ATOM 796 CG GLN A 56 1.085 4.192 -20.746 1.00 0.00 C ATOM 797 CD GLN A 56 1.048 3.612 -22.161 1.00 0.00 C ATOM 798 OE1 GLN A 56 1.438 2.481 -22.376 1.00 0.00 O ATOM 799 NE2 GLN A 56 0.594 4.343 -23.142 1.00 0.00 N ATOM 0 H GLN A 56 4.239 6.374 -21.147 1.00 0.00 H new ATOM 0 HA GLN A 56 1.385 6.586 -21.660 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.157 4.598 -21.207 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.735 4.878 -19.529 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.027 3.389 -20.011 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.221 4.836 -20.583 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.267 5.292 -22.962 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.566 3.965 -24.089 1.00 0.00 H new ATOM 808 N PHE A 57 2.371 7.283 -18.597 1.00 0.00 N ATOM 809 CA PHE A 57 1.927 7.981 -17.353 1.00 0.00 C ATOM 810 C PHE A 57 1.591 9.446 -17.660 1.00 0.00 C ATOM 811 O PHE A 57 0.674 10.016 -17.099 1.00 0.00 O ATOM 812 CB PHE A 57 3.124 7.884 -16.400 1.00 0.00 C ATOM 813 CG PHE A 57 2.918 8.801 -15.218 1.00 0.00 C ATOM 814 CD1 PHE A 57 2.135 8.386 -14.135 1.00 0.00 C ATOM 815 CD2 PHE A 57 3.511 10.070 -15.206 1.00 0.00 C ATOM 816 CE1 PHE A 57 1.944 9.238 -13.041 1.00 0.00 C ATOM 817 CE2 PHE A 57 3.321 10.922 -14.112 1.00 0.00 C ATOM 818 CZ PHE A 57 2.538 10.505 -13.029 1.00 0.00 C ATOM 0 H PHE A 57 3.317 6.904 -18.561 1.00 0.00 H new ATOM 0 HA PHE A 57 1.029 7.537 -16.923 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.244 6.856 -16.057 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.040 8.154 -16.925 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.678 7.408 -14.143 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.115 10.391 -16.042 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.338 8.918 -12.206 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.778 11.900 -14.103 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.392 11.161 -12.184 1.00 0.00 H new ATOM 828 N LYS A 58 2.339 10.057 -18.536 1.00 0.00 N ATOM 829 CA LYS A 58 2.090 11.486 -18.882 1.00 0.00 C ATOM 830 C LYS A 58 0.657 11.650 -19.392 1.00 0.00 C ATOM 831 O LYS A 58 0.006 12.644 -19.141 1.00 0.00 O ATOM 832 CB LYS A 58 3.097 11.818 -19.992 1.00 0.00 C ATOM 833 CG LYS A 58 4.064 12.905 -19.508 1.00 0.00 C ATOM 834 CD LYS A 58 4.059 14.074 -20.498 1.00 0.00 C ATOM 835 CE LYS A 58 4.622 13.610 -21.845 1.00 0.00 C ATOM 836 NZ LYS A 58 3.553 13.917 -22.836 1.00 0.00 N ATOM 0 H LYS A 58 3.119 9.625 -19.031 1.00 0.00 H new ATOM 0 HA LYS A 58 2.208 12.147 -18.023 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.652 10.923 -20.272 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.570 12.158 -20.884 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.770 13.253 -18.518 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.070 12.496 -19.417 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.044 14.450 -20.627 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.657 14.897 -20.107 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.547 14.133 -22.087 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.853 12.545 -21.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.970 13.986 -23.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.841 13.159 -22.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.101 14.821 -22.590 1.00 0.00 H new ATOM 850 N GLU A 59 0.161 10.669 -20.099 1.00 0.00 N ATOM 851 CA GLU A 59 -1.234 10.752 -20.620 1.00 0.00 C ATOM 852 C GLU A 59 -2.220 10.226 -19.569 1.00 0.00 C ATOM 853 O GLU A 59 -3.405 10.488 -19.634 1.00 0.00 O ATOM 854 CB GLU A 59 -1.245 9.861 -21.863 1.00 0.00 C ATOM 855 CG GLU A 59 -0.354 10.478 -22.942 1.00 0.00 C ATOM 856 CD GLU A 59 -0.926 10.153 -24.323 1.00 0.00 C ATOM 857 OE1 GLU A 59 -1.151 8.985 -24.590 1.00 0.00 O ATOM 858 OE2 GLU A 59 -1.129 11.080 -25.091 1.00 0.00 O ATOM 0 H GLU A 59 0.662 9.814 -20.338 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.532 11.775 -20.851 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.889 8.862 -21.610 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.263 9.752 -22.236 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.295 11.558 -22.806 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.661 10.090 -22.856 1.00 0.00 H new ATOM 865 N ALA A 60 -1.738 9.485 -18.604 1.00 0.00 N ATOM 866 CA ALA A 60 -2.647 8.943 -17.550 1.00 0.00 C ATOM 867 C ALA A 60 -3.214 10.083 -16.701 1.00 0.00 C ATOM 868 O ALA A 60 -4.400 10.143 -16.441 1.00 0.00 O ATOM 869 CB ALA A 60 -1.767 8.027 -16.698 1.00 0.00 C ATOM 0 H ALA A 60 -0.755 9.232 -18.501 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.498 8.411 -17.975 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.365 7.589 -15.899 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.357 7.233 -17.322 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.951 8.606 -16.265 1.00 0.00 H new ATOM 875 N ILE A 61 -2.377 10.989 -16.269 1.00 0.00 N ATOM 876 CA ILE A 61 -2.873 12.127 -15.439 1.00 0.00 C ATOM 877 C ILE A 61 -3.892 12.947 -16.238 1.00 0.00 C ATOM 878 O ILE A 61 -4.872 13.426 -15.706 1.00 0.00 O ATOM 879 CB ILE A 61 -1.618 12.955 -15.110 1.00 0.00 C ATOM 880 CG1 ILE A 61 -0.859 12.278 -13.964 1.00 0.00 C ATOM 881 CG2 ILE A 61 -2.008 14.378 -14.685 1.00 0.00 C ATOM 882 CD1 ILE A 61 0.347 13.132 -13.561 1.00 0.00 C ATOM 0 H ILE A 61 -1.374 10.991 -16.454 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.380 11.800 -14.531 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.989 13.013 -15.998 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.521 12.141 -13.109 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.527 11.287 -14.272 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.108 14.949 -14.456 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.550 14.864 -15.496 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.643 14.332 -13.800 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.882 12.645 -12.746 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.014 13.246 -14.416 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.005 14.114 -13.234 1.00 0.00 H new ATOM 894 N SER A 62 -3.671 13.110 -17.512 1.00 0.00 N ATOM 895 CA SER A 62 -4.632 13.901 -18.337 1.00 0.00 C ATOM 896 C SER A 62 -6.056 13.356 -18.178 1.00 0.00 C ATOM 897 O SER A 62 -6.981 14.090 -17.894 1.00 0.00 O ATOM 898 CB SER A 62 -4.151 13.727 -19.778 1.00 0.00 C ATOM 899 OG SER A 62 -4.806 14.677 -20.608 1.00 0.00 O ATOM 0 H SER A 62 -2.870 12.732 -18.018 1.00 0.00 H new ATOM 0 HA SER A 62 -4.663 14.948 -18.037 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.071 13.863 -19.832 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.363 12.716 -20.125 1.00 0.00 H new ATOM 0 HG SER A 62 -4.175 15.385 -20.856 1.00 0.00 H new ATOM 905 N LYS A 63 -6.240 12.078 -18.371 1.00 0.00 N ATOM 906 CA LYS A 63 -7.608 11.490 -18.245 1.00 0.00 C ATOM 907 C LYS A 63 -8.102 11.515 -16.790 1.00 0.00 C ATOM 908 O LYS A 63 -9.175 12.011 -16.503 1.00 0.00 O ATOM 909 CB LYS A 63 -7.464 10.044 -18.733 1.00 0.00 C ATOM 910 CG LYS A 63 -8.546 9.742 -19.772 1.00 0.00 C ATOM 911 CD LYS A 63 -7.978 9.953 -21.177 1.00 0.00 C ATOM 912 CE LYS A 63 -9.126 10.151 -22.168 1.00 0.00 C ATOM 913 NZ LYS A 63 -9.728 8.799 -22.335 1.00 0.00 N ATOM 0 H LYS A 63 -5.503 11.414 -18.611 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.338 12.056 -18.823 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.476 9.893 -19.168 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.551 9.356 -17.892 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.896 8.716 -19.660 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.407 10.392 -19.615 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.320 10.822 -21.188 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.375 9.093 -21.470 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.857 10.864 -21.788 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.764 10.542 -23.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.666 8.512 -23.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.213 8.114 -21.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.726 8.825 -22.043 1.00 0.00 H new ATOM 927 N ARG A 64 -7.345 10.965 -15.875 1.00 0.00 N ATOM 928 CA ARG A 64 -7.796 10.941 -14.447 1.00 0.00 C ATOM 929 C ARG A 64 -7.718 12.334 -13.809 1.00 0.00 C ATOM 930 O ARG A 64 -8.687 12.831 -13.270 1.00 0.00 O ATOM 931 CB ARG A 64 -6.832 9.981 -13.748 1.00 0.00 C ATOM 932 CG ARG A 64 -7.611 9.081 -12.786 1.00 0.00 C ATOM 933 CD ARG A 64 -7.619 9.708 -11.389 1.00 0.00 C ATOM 934 NE ARG A 64 -7.137 8.630 -10.481 1.00 0.00 N ATOM 935 CZ ARG A 64 -7.989 7.801 -9.944 1.00 0.00 C ATOM 936 NH1 ARG A 64 -8.674 8.158 -8.893 1.00 0.00 N ATOM 937 NH2 ARG A 64 -8.154 6.613 -10.458 1.00 0.00 N ATOM 0 H ARG A 64 -6.438 10.533 -16.052 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.836 10.627 -14.362 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.308 9.374 -14.486 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.074 10.544 -13.203 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.633 8.949 -13.142 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.156 8.091 -12.749 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.969 10.582 -11.345 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.619 10.041 -11.111 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.141 8.540 -10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.544 9.086 -8.490 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.340 7.509 -8.474 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.617 6.333 -11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.820 5.964 -10.039 1.00 0.00 H new ATOM 951 N PHE A 65 -6.574 12.961 -13.860 1.00 0.00 N ATOM 952 CA PHE A 65 -6.434 14.318 -13.250 1.00 0.00 C ATOM 953 C PHE A 65 -7.253 15.344 -14.039 1.00 0.00 C ATOM 954 O PHE A 65 -7.814 16.265 -13.477 1.00 0.00 O ATOM 955 CB PHE A 65 -4.939 14.644 -13.316 1.00 0.00 C ATOM 956 CG PHE A 65 -4.440 15.026 -11.942 1.00 0.00 C ATOM 957 CD1 PHE A 65 -5.070 16.049 -11.225 1.00 0.00 C ATOM 958 CD2 PHE A 65 -3.344 14.354 -11.386 1.00 0.00 C ATOM 959 CE1 PHE A 65 -4.607 16.401 -9.951 1.00 0.00 C ATOM 960 CE2 PHE A 65 -2.879 14.705 -10.113 1.00 0.00 C ATOM 961 CZ PHE A 65 -3.511 15.729 -9.395 1.00 0.00 C ATOM 0 H PHE A 65 -5.729 12.594 -14.297 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.803 14.345 -12.225 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.385 13.782 -13.688 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.766 15.461 -14.017 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.914 16.568 -11.654 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.857 13.565 -11.940 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.095 17.190 -9.398 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.034 14.187 -9.685 1.00 0.00 H new ATOM 0 HZ PHE A 65 -3.153 16.000 -8.413 1.00 0.00 H new ATOM 971 N LYS A 66 -7.311 15.195 -15.341 1.00 0.00 N ATOM 972 CA LYS A 66 -8.080 16.159 -16.197 1.00 0.00 C ATOM 973 C LYS A 66 -7.317 17.481 -16.313 1.00 0.00 C ATOM 974 O LYS A 66 -7.641 18.457 -15.667 1.00 0.00 O ATOM 975 CB LYS A 66 -9.431 16.369 -15.500 1.00 0.00 C ATOM 976 CG LYS A 66 -10.538 16.497 -16.552 1.00 0.00 C ATOM 977 CD LYS A 66 -11.469 15.285 -16.469 1.00 0.00 C ATOM 978 CE LYS A 66 -12.671 15.624 -15.585 1.00 0.00 C ATOM 979 NZ LYS A 66 -13.197 14.307 -15.132 1.00 0.00 N ATOM 0 H LYS A 66 -6.855 14.440 -15.853 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.219 15.777 -17.208 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.643 15.532 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.397 17.266 -14.882 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.104 17.414 -16.389 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.101 16.565 -17.548 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.806 15.003 -17.467 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.933 14.429 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -12.376 16.244 -14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.426 16.181 -16.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.024 14.456 -14.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.476 13.741 -15.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.459 13.803 -14.600 1.00 0.00 H new ATOM 993 N SER A 67 -6.304 17.512 -17.138 1.00 0.00 N ATOM 994 CA SER A 67 -5.509 18.763 -17.310 1.00 0.00 C ATOM 995 C SER A 67 -4.673 18.678 -18.591 1.00 0.00 C ATOM 996 O SER A 67 -5.022 17.980 -19.524 1.00 0.00 O ATOM 997 CB SER A 67 -4.608 18.829 -16.078 1.00 0.00 C ATOM 998 OG SER A 67 -3.627 17.802 -16.158 1.00 0.00 O ATOM 0 H SER A 67 -5.992 16.722 -17.702 1.00 0.00 H new ATOM 0 HA SER A 67 -6.137 19.649 -17.399 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.126 19.805 -16.018 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.202 18.711 -15.172 1.00 0.00 H new ATOM 0 HG SER A 67 -3.046 17.842 -15.370 1.00 0.00 H new ATOM 1004 N GLN A 68 -3.571 19.380 -18.646 1.00 0.00 N ATOM 1005 CA GLN A 68 -2.716 19.333 -19.870 1.00 0.00 C ATOM 1006 C GLN A 68 -2.062 17.955 -20.005 1.00 0.00 C ATOM 1007 O GLN A 68 -2.286 17.072 -19.202 1.00 0.00 O ATOM 1008 CB GLN A 68 -1.652 20.412 -19.654 1.00 0.00 C ATOM 1009 CG GLN A 68 -2.083 21.702 -20.356 1.00 0.00 C ATOM 1010 CD GLN A 68 -1.531 21.717 -21.782 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -1.651 20.746 -22.503 1.00 0.00 O ATOM 1012 NE2 GLN A 68 -0.927 22.786 -22.224 1.00 0.00 N ATOM 0 H GLN A 68 -3.227 19.982 -17.898 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.290 19.504 -20.781 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.515 20.594 -18.588 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.692 20.075 -20.046 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.171 21.772 -20.375 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.718 22.568 -19.804 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.826 23.601 -21.620 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.556 22.806 -23.174 1.00 0.00 H new ATOM 1021 N THR A 69 -1.257 17.766 -21.017 1.00 0.00 N ATOM 1022 CA THR A 69 -0.589 16.444 -21.204 1.00 0.00 C ATOM 1023 C THR A 69 0.801 16.631 -21.820 1.00 0.00 C ATOM 1024 O THR A 69 1.794 16.198 -21.272 1.00 0.00 O ATOM 1025 CB THR A 69 -1.499 15.671 -22.160 1.00 0.00 C ATOM 1026 OG1 THR A 69 -2.848 15.797 -21.733 1.00 0.00 O ATOM 1027 CG2 THR A 69 -1.098 14.195 -22.166 1.00 0.00 C ATOM 0 H THR A 69 -1.033 18.469 -21.722 1.00 0.00 H new ATOM 0 HA THR A 69 -0.448 15.918 -20.260 1.00 0.00 H new ATOM 0 HB THR A 69 -1.398 16.076 -23.167 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.448 15.578 -22.476 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.747 13.644 -22.847 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.063 14.100 -22.495 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.198 13.787 -21.160 1.00 0.00 H new ATOM 1035 N ASP A 70 0.877 17.274 -22.956 1.00 0.00 N ATOM 1036 CA ASP A 70 2.205 17.488 -23.607 1.00 0.00 C ATOM 1037 C ASP A 70 3.117 18.302 -22.684 1.00 0.00 C ATOM 1038 O ASP A 70 4.129 17.820 -22.214 1.00 0.00 O ATOM 1039 CB ASP A 70 1.902 18.266 -24.889 1.00 0.00 C ATOM 1040 CG ASP A 70 2.920 17.889 -25.967 1.00 0.00 C ATOM 1041 OD1 ASP A 70 2.967 16.725 -26.328 1.00 0.00 O ATOM 1042 OD2 ASP A 70 3.636 18.771 -26.411 1.00 0.00 O ATOM 0 H ASP A 70 0.079 17.660 -23.461 1.00 0.00 H new ATOM 0 HA ASP A 70 2.719 16.550 -23.816 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.892 18.042 -25.233 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.942 19.338 -24.695 1.00 0.00 H new ATOM 1047 N GLN A 71 2.763 19.530 -22.418 1.00 0.00 N ATOM 1048 CA GLN A 71 3.604 20.375 -21.522 1.00 0.00 C ATOM 1049 C GLN A 71 3.630 19.779 -20.111 1.00 0.00 C ATOM 1050 O GLN A 71 4.555 19.994 -19.352 1.00 0.00 O ATOM 1051 CB GLN A 71 2.925 21.745 -21.512 1.00 0.00 C ATOM 1052 CG GLN A 71 3.559 22.638 -22.581 1.00 0.00 C ATOM 1053 CD GLN A 71 2.488 23.546 -23.190 1.00 0.00 C ATOM 1054 OE1 GLN A 71 1.366 23.128 -23.395 1.00 0.00 O ATOM 1055 NE2 GLN A 71 2.790 24.780 -23.489 1.00 0.00 N ATOM 0 H GLN A 71 1.926 19.985 -22.783 1.00 0.00 H new ATOM 0 HA GLN A 71 4.637 20.437 -21.863 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.857 21.635 -21.702 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.028 22.206 -20.530 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.354 23.240 -22.142 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.016 22.025 -23.358 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.732 25.131 -23.317 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.084 25.394 -23.895 1.00 0.00 H new ATOM 1064 N LEU A 72 2.617 19.036 -19.755 1.00 0.00 N ATOM 1065 CA LEU A 72 2.569 18.424 -18.393 1.00 0.00 C ATOM 1066 C LEU A 72 3.824 17.585 -18.125 1.00 0.00 C ATOM 1067 O LEU A 72 3.985 16.503 -18.655 1.00 0.00 O ATOM 1068 CB LEU A 72 1.326 17.533 -18.402 1.00 0.00 C ATOM 1069 CG LEU A 72 0.751 17.440 -16.988 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -0.580 16.689 -17.026 1.00 0.00 C ATOM 1071 CD2 LEU A 72 1.735 16.688 -16.088 1.00 0.00 C ATOM 0 H LEU A 72 1.816 18.825 -20.351 1.00 0.00 H new ATOM 0 HA LEU A 72 2.529 19.182 -17.611 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.579 17.941 -19.083 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.582 16.538 -18.768 1.00 0.00 H new ATOM 0 HG LEU A 72 0.590 18.444 -16.594 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.989 16.623 -16.018 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.281 17.223 -17.668 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.420 15.685 -17.419 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.327 16.621 -15.079 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.895 15.685 -16.483 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.684 17.223 -16.060 1.00 0.00 H new ATOM 1083 N VAL A 73 4.705 18.077 -17.298 1.00 0.00 N ATOM 1084 CA VAL A 73 5.949 17.317 -16.973 1.00 0.00 C ATOM 1085 C VAL A 73 6.210 17.395 -15.467 1.00 0.00 C ATOM 1086 O VAL A 73 5.650 18.228 -14.781 1.00 0.00 O ATOM 1087 CB VAL A 73 7.063 18.023 -17.752 1.00 0.00 C ATOM 1088 CG1 VAL A 73 8.411 17.375 -17.421 1.00 0.00 C ATOM 1089 CG2 VAL A 73 6.793 17.900 -19.254 1.00 0.00 C ATOM 0 H VAL A 73 4.617 18.979 -16.829 1.00 0.00 H new ATOM 0 HA VAL A 73 5.882 16.262 -17.239 1.00 0.00 H new ATOM 0 HB VAL A 73 7.089 19.076 -17.472 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.203 17.878 -17.976 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.605 17.464 -16.352 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.386 16.321 -17.699 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.586 18.402 -19.808 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.766 16.847 -19.534 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.835 18.363 -19.491 1.00 0.00 H new ATOM 1099 N LEU A 74 7.052 16.543 -14.940 1.00 0.00 N ATOM 1100 CA LEU A 74 7.326 16.600 -13.477 1.00 0.00 C ATOM 1101 C LEU A 74 8.787 16.983 -13.235 1.00 0.00 C ATOM 1102 O LEU A 74 9.678 16.535 -13.926 1.00 0.00 O ATOM 1103 CB LEU A 74 7.030 15.192 -12.963 1.00 0.00 C ATOM 1104 CG LEU A 74 5.732 15.201 -12.148 1.00 0.00 C ATOM 1105 CD1 LEU A 74 4.588 14.660 -13.009 1.00 0.00 C ATOM 1106 CD2 LEU A 74 5.899 14.319 -10.906 1.00 0.00 C ATOM 0 H LEU A 74 7.555 15.820 -15.454 1.00 0.00 H new ATOM 0 HA LEU A 74 6.719 17.346 -12.964 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.940 14.500 -13.801 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.856 14.839 -12.345 1.00 0.00 H new ATOM 0 HG LEU A 74 5.505 16.221 -11.838 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.664 14.665 -12.431 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.468 15.289 -13.891 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.816 13.640 -13.318 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.975 14.326 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.127 13.298 -11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.714 14.704 -10.293 1.00 0.00 H new ATOM 1118 N ILE A 75 9.034 17.821 -12.265 1.00 0.00 N ATOM 1119 CA ILE A 75 10.435 18.247 -11.983 1.00 0.00 C ATOM 1120 C ILE A 75 11.053 17.363 -10.896 1.00 0.00 C ATOM 1121 O ILE A 75 10.829 17.557 -9.716 1.00 0.00 O ATOM 1122 CB ILE A 75 10.313 19.711 -11.525 1.00 0.00 C ATOM 1123 CG1 ILE A 75 10.479 20.628 -12.741 1.00 0.00 C ATOM 1124 CG2 ILE A 75 11.393 20.049 -10.488 1.00 0.00 C ATOM 1125 CD1 ILE A 75 11.894 20.481 -13.308 1.00 0.00 C ATOM 0 H ILE A 75 8.326 18.229 -11.655 1.00 0.00 H new ATOM 0 HA ILE A 75 11.088 18.153 -12.851 1.00 0.00 H new ATOM 0 HB ILE A 75 9.334 19.857 -11.068 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.743 20.374 -13.504 1.00 0.00 H new ATOM 0 HG13 ILE A 75 10.297 21.664 -12.455 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.288 21.089 -10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.280 19.399 -9.620 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.379 19.900 -10.928 1.00 0.00 H new ATOM 0 HD11 ILE A 75 12.009 21.134 -14.173 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.622 20.757 -12.545 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.059 19.447 -13.610 1.00 0.00 H new ATOM 1137 N PHE A 76 11.840 16.398 -11.290 1.00 0.00 N ATOM 1138 CA PHE A 76 12.489 15.510 -10.283 1.00 0.00 C ATOM 1139 C PHE A 76 13.556 16.293 -9.514 1.00 0.00 C ATOM 1140 O PHE A 76 13.927 17.387 -9.893 1.00 0.00 O ATOM 1141 CB PHE A 76 13.135 14.384 -11.089 1.00 0.00 C ATOM 1142 CG PHE A 76 13.679 13.344 -10.139 1.00 0.00 C ATOM 1143 CD1 PHE A 76 12.837 12.758 -9.185 1.00 0.00 C ATOM 1144 CD2 PHE A 76 15.026 12.968 -10.207 1.00 0.00 C ATOM 1145 CE1 PHE A 76 13.344 11.797 -8.301 1.00 0.00 C ATOM 1146 CE2 PHE A 76 15.532 12.009 -9.323 1.00 0.00 C ATOM 1147 CZ PHE A 76 14.690 11.423 -8.370 1.00 0.00 C ATOM 0 H PHE A 76 12.061 16.187 -12.263 1.00 0.00 H new ATOM 0 HA PHE A 76 11.776 15.125 -9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 76 12.403 13.934 -11.760 1.00 0.00 H new ATOM 0 HB3 PHE A 76 13.937 14.780 -11.712 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.798 13.047 -9.131 1.00 0.00 H new ATOM 0 HD2 PHE A 76 15.675 13.419 -10.943 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.695 11.345 -7.566 1.00 0.00 H new ATOM 0 HE2 PHE A 76 16.572 11.721 -9.376 1.00 0.00 H new ATOM 0 HZ PHE A 76 15.080 10.682 -7.688 1.00 0.00 H new ATOM 1157 N ALA A 77 14.050 15.742 -8.437 1.00 0.00 N ATOM 1158 CA ALA A 77 15.092 16.457 -7.643 1.00 0.00 C ATOM 1159 C ALA A 77 16.412 16.516 -8.421 1.00 0.00 C ATOM 1160 O ALA A 77 17.386 15.885 -8.059 1.00 0.00 O ATOM 1161 CB ALA A 77 15.258 15.628 -6.368 1.00 0.00 C ATOM 0 H ALA A 77 13.778 14.829 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 77 14.808 17.487 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.010 16.090 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.308 15.584 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.575 14.618 -6.629 1.00 0.00 H new ATOM 1167 N GLY A 78 16.452 17.275 -9.485 1.00 0.00 N ATOM 1168 CA GLY A 78 17.708 17.379 -10.283 1.00 0.00 C ATOM 1169 C GLY A 78 17.509 16.737 -11.657 1.00 0.00 C ATOM 1170 O GLY A 78 18.451 16.302 -12.290 1.00 0.00 O ATOM 0 H GLY A 78 15.669 17.827 -9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.990 18.426 -10.399 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.525 16.885 -9.757 1.00 0.00 H new ATOM 1174 N LYS A 79 16.290 16.676 -12.127 1.00 0.00 N ATOM 1175 CA LYS A 79 16.034 16.063 -13.465 1.00 0.00 C ATOM 1176 C LYS A 79 14.587 16.327 -13.894 1.00 0.00 C ATOM 1177 O LYS A 79 13.857 17.037 -13.230 1.00 0.00 O ATOM 1178 CB LYS A 79 16.275 14.562 -13.270 1.00 0.00 C ATOM 1179 CG LYS A 79 17.225 14.045 -14.354 1.00 0.00 C ATOM 1180 CD LYS A 79 16.421 13.331 -15.445 1.00 0.00 C ATOM 1181 CE LYS A 79 17.219 12.134 -15.968 1.00 0.00 C ATOM 1182 NZ LYS A 79 18.057 12.684 -17.069 1.00 0.00 N ATOM 0 H LYS A 79 15.462 17.023 -11.643 1.00 0.00 H new ATOM 0 HA LYS A 79 16.677 16.477 -14.241 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.700 14.378 -12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.329 14.023 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.786 14.874 -14.785 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.953 13.361 -13.918 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.464 12.997 -15.046 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.203 14.020 -16.261 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.836 11.697 -15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.558 11.346 -16.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.634 11.923 -17.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.442 13.087 -17.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.680 13.427 -16.693 1.00 0.00 H new ATOM 1196 N ILE A 80 14.167 15.759 -14.994 1.00 0.00 N ATOM 1197 CA ILE A 80 12.762 15.982 -15.453 1.00 0.00 C ATOM 1198 C ILE A 80 11.999 14.665 -15.452 1.00 0.00 C ATOM 1199 O ILE A 80 12.234 13.813 -16.284 1.00 0.00 O ATOM 1200 CB ILE A 80 12.835 16.521 -16.897 1.00 0.00 C ATOM 1201 CG1 ILE A 80 14.233 17.079 -17.207 1.00 0.00 C ATOM 1202 CG2 ILE A 80 11.802 17.636 -17.068 1.00 0.00 C ATOM 1203 CD1 ILE A 80 14.565 18.217 -16.238 1.00 0.00 C ATOM 0 H ILE A 80 14.731 15.154 -15.591 1.00 0.00 H new ATOM 0 HA ILE A 80 12.251 16.682 -14.792 1.00 0.00 H new ATOM 0 HB ILE A 80 12.628 15.701 -17.584 1.00 0.00 H new ATOM 0 HG12 ILE A 80 14.978 16.288 -17.121 1.00 0.00 H new ATOM 0 HG13 ILE A 80 14.270 17.442 -18.234 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.848 18.022 -18.086 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.805 17.241 -16.874 1.00 0.00 H new ATOM 0 HG23 ILE A 80 12.016 18.441 -16.365 1.00 0.00 H new ATOM 0 HD11 ILE A 80 15.557 18.608 -16.463 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.828 19.013 -16.345 1.00 0.00 H new ATOM 0 HD13 ILE A 80 14.546 17.841 -15.215 1.00 0.00 H new ATOM 1215 N LEU A 81 11.071 14.495 -14.549 1.00 0.00 N ATOM 1216 CA LEU A 81 10.288 13.234 -14.551 1.00 0.00 C ATOM 1217 C LEU A 81 9.388 13.245 -15.784 1.00 0.00 C ATOM 1218 O LEU A 81 8.187 13.438 -15.700 1.00 0.00 O ATOM 1219 CB LEU A 81 9.463 13.242 -13.264 1.00 0.00 C ATOM 1220 CG LEU A 81 9.676 11.924 -12.517 1.00 0.00 C ATOM 1221 CD1 LEU A 81 10.780 12.098 -11.475 1.00 0.00 C ATOM 1222 CD2 LEU A 81 8.377 11.518 -11.817 1.00 0.00 C ATOM 0 H LEU A 81 10.826 15.166 -13.821 1.00 0.00 H new ATOM 0 HA LEU A 81 10.912 12.341 -14.588 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.758 14.082 -12.635 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.406 13.374 -13.497 1.00 0.00 H new ATOM 0 HG LEU A 81 9.966 11.149 -13.227 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.930 11.158 -10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.707 12.387 -11.971 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.492 12.874 -10.765 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.529 10.579 -11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.088 12.294 -11.108 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.588 11.391 -12.559 1.00 0.00 H new ATOM 1234 N LYS A 82 9.981 13.075 -16.933 1.00 0.00 N ATOM 1235 CA LYS A 82 9.204 13.093 -18.198 1.00 0.00 C ATOM 1236 C LYS A 82 9.581 11.887 -19.059 1.00 0.00 C ATOM 1237 O LYS A 82 10.113 10.908 -18.577 1.00 0.00 O ATOM 1238 CB LYS A 82 9.615 14.394 -18.890 1.00 0.00 C ATOM 1239 CG LYS A 82 8.445 14.922 -19.722 1.00 0.00 C ATOM 1240 CD LYS A 82 8.974 15.539 -21.022 1.00 0.00 C ATOM 1241 CE LYS A 82 8.510 14.702 -22.216 1.00 0.00 C ATOM 1242 NZ LYS A 82 8.130 15.696 -23.258 1.00 0.00 N ATOM 0 H LYS A 82 10.983 12.923 -17.048 1.00 0.00 H new ATOM 0 HA LYS A 82 8.128 13.042 -18.029 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.911 15.135 -18.148 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.480 14.220 -19.529 1.00 0.00 H new ATOM 0 HG2 LYS A 82 7.752 14.112 -19.948 1.00 0.00 H new ATOM 0 HG3 LYS A 82 7.889 15.668 -19.154 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.615 16.563 -21.122 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.063 15.584 -20.998 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.304 14.044 -22.569 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.665 14.067 -21.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.801 15.198 -24.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.368 16.304 -22.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.956 16.281 -23.497 1.00 0.00 H new ATOM 1256 N ASP A 83 9.316 11.958 -20.331 1.00 0.00 N ATOM 1257 CA ASP A 83 9.658 10.822 -21.235 1.00 0.00 C ATOM 1258 C ASP A 83 11.174 10.756 -21.450 1.00 0.00 C ATOM 1259 O ASP A 83 11.701 9.767 -21.918 1.00 0.00 O ATOM 1260 CB ASP A 83 8.923 11.122 -22.543 1.00 0.00 C ATOM 1261 CG ASP A 83 9.298 10.082 -23.602 1.00 0.00 C ATOM 1262 OD1 ASP A 83 9.353 8.912 -23.261 1.00 0.00 O ATOM 1263 OD2 ASP A 83 9.522 10.474 -24.735 1.00 0.00 O ATOM 0 H ASP A 83 8.875 12.756 -20.788 1.00 0.00 H new ATOM 0 HA ASP A 83 9.363 9.856 -20.824 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.846 11.111 -22.376 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.181 12.121 -22.894 1.00 0.00 H new ATOM 1268 N GLN A 84 11.876 11.803 -21.105 1.00 0.00 N ATOM 1269 CA GLN A 84 13.357 11.802 -21.280 1.00 0.00 C ATOM 1270 C GLN A 84 13.979 10.639 -20.503 1.00 0.00 C ATOM 1271 O GLN A 84 14.974 10.071 -20.913 1.00 0.00 O ATOM 1272 CB GLN A 84 13.827 13.141 -20.709 1.00 0.00 C ATOM 1273 CG GLN A 84 15.317 13.326 -21.000 1.00 0.00 C ATOM 1274 CD GLN A 84 15.642 14.820 -21.061 1.00 0.00 C ATOM 1275 OE1 GLN A 84 16.188 15.295 -22.038 1.00 0.00 O ATOM 1276 NE2 GLN A 84 15.329 15.586 -20.053 1.00 0.00 N ATOM 0 H GLN A 84 11.487 12.659 -20.709 1.00 0.00 H new ATOM 0 HA GLN A 84 13.649 11.681 -22.323 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.255 13.957 -21.151 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.649 13.172 -19.634 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.913 12.845 -20.224 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.576 12.847 -21.944 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.871 15.188 -19.233 1.00 0.00 H new ATOM 0 HE22 GLN A 84 15.542 16.583 -20.085 1.00 0.00 H new ATOM 1285 N ASP A 85 13.405 10.281 -19.383 1.00 0.00 N ATOM 1286 CA ASP A 85 13.975 9.154 -18.583 1.00 0.00 C ATOM 1287 C ASP A 85 12.855 8.314 -17.961 1.00 0.00 C ATOM 1288 O ASP A 85 11.711 8.719 -17.926 1.00 0.00 O ATOM 1289 CB ASP A 85 14.814 9.825 -17.492 1.00 0.00 C ATOM 1290 CG ASP A 85 13.935 10.771 -16.671 1.00 0.00 C ATOM 1291 OD1 ASP A 85 13.282 10.298 -15.756 1.00 0.00 O ATOM 1292 OD2 ASP A 85 13.930 11.953 -16.973 1.00 0.00 O ATOM 0 H ASP A 85 12.571 10.717 -18.989 1.00 0.00 H new ATOM 0 HA ASP A 85 14.569 8.477 -19.197 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.255 9.069 -16.843 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.638 10.378 -17.943 1.00 0.00 H new ATOM 1297 N THR A 86 13.181 7.146 -17.467 1.00 0.00 N ATOM 1298 CA THR A 86 12.140 6.278 -16.842 1.00 0.00 C ATOM 1299 C THR A 86 12.175 6.431 -15.319 1.00 0.00 C ATOM 1300 O THR A 86 13.185 6.791 -14.746 1.00 0.00 O ATOM 1301 CB THR A 86 12.507 4.849 -17.250 1.00 0.00 C ATOM 1302 OG1 THR A 86 13.919 4.729 -17.352 1.00 0.00 O ATOM 1303 CG2 THR A 86 11.869 4.522 -18.601 1.00 0.00 C ATOM 0 H THR A 86 14.124 6.757 -17.470 1.00 0.00 H new ATOM 0 HA THR A 86 11.134 6.542 -17.166 1.00 0.00 H new ATOM 0 HB THR A 86 12.138 4.154 -16.496 1.00 0.00 H new ATOM 0 HG1 THR A 86 14.145 3.869 -17.763 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.131 3.504 -18.890 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.785 4.609 -18.522 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.235 5.219 -19.355 1.00 0.00 H new ATOM 1311 N LEU A 87 11.077 6.169 -14.660 1.00 0.00 N ATOM 1312 CA LEU A 87 11.046 6.310 -13.173 1.00 0.00 C ATOM 1313 C LEU A 87 11.957 5.277 -12.510 1.00 0.00 C ATOM 1314 O LEU A 87 12.737 5.601 -11.635 1.00 0.00 O ATOM 1315 CB LEU A 87 9.584 6.092 -12.779 1.00 0.00 C ATOM 1316 CG LEU A 87 9.043 7.365 -12.123 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.140 8.540 -13.101 1.00 0.00 C ATOM 1318 CD2 LEU A 87 7.582 7.150 -11.723 1.00 0.00 C ATOM 0 H LEU A 87 10.202 5.864 -15.085 1.00 0.00 H new ATOM 0 HA LEU A 87 11.408 7.285 -12.848 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.991 5.842 -13.659 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.502 5.251 -12.090 1.00 0.00 H new ATOM 0 HG LEU A 87 9.635 7.591 -11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.753 9.442 -12.626 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.182 8.696 -13.380 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.554 8.320 -13.993 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.196 8.056 -11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.992 6.919 -12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.516 6.321 -11.018 1.00 0.00 H new ATOM 1330 N ILE A 88 11.878 4.042 -12.919 1.00 0.00 N ATOM 1331 CA ILE A 88 12.758 3.006 -12.304 1.00 0.00 C ATOM 1332 C ILE A 88 14.224 3.320 -12.605 1.00 0.00 C ATOM 1333 O ILE A 88 15.122 2.809 -11.964 1.00 0.00 O ATOM 1334 CB ILE A 88 12.361 1.683 -12.957 1.00 0.00 C ATOM 1335 CG1 ILE A 88 12.444 1.809 -14.486 1.00 0.00 C ATOM 1336 CG2 ILE A 88 10.934 1.321 -12.548 1.00 0.00 C ATOM 1337 CD1 ILE A 88 13.567 0.913 -15.015 1.00 0.00 C ATOM 0 H ILE A 88 11.248 3.705 -13.647 1.00 0.00 H new ATOM 0 HA ILE A 88 12.644 2.971 -11.221 1.00 0.00 H new ATOM 0 HB ILE A 88 13.044 0.900 -12.627 1.00 0.00 H new ATOM 0 HG12 ILE A 88 11.494 1.523 -14.937 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.630 2.846 -14.766 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.650 0.377 -13.014 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.880 1.221 -11.464 1.00 0.00 H new ATOM 0 HG23 ILE A 88 10.252 2.106 -12.874 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.624 1.004 -16.100 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.516 1.220 -14.575 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.362 -0.124 -14.748 1.00 0.00 H new ATOM 1349 N GLN A 89 14.472 4.151 -13.581 1.00 0.00 N ATOM 1350 CA GLN A 89 15.877 4.491 -13.932 1.00 0.00 C ATOM 1351 C GLN A 89 16.320 5.779 -13.234 1.00 0.00 C ATOM 1352 O GLN A 89 17.496 6.080 -13.184 1.00 0.00 O ATOM 1353 CB GLN A 89 15.867 4.684 -15.449 1.00 0.00 C ATOM 1354 CG GLN A 89 17.280 5.026 -15.933 1.00 0.00 C ATOM 1355 CD GLN A 89 17.337 6.496 -16.356 1.00 0.00 C ATOM 1356 OE1 GLN A 89 16.380 7.026 -16.883 1.00 0.00 O ATOM 1357 NE2 GLN A 89 18.427 7.180 -16.144 1.00 0.00 N ATOM 0 H GLN A 89 13.760 4.609 -14.150 1.00 0.00 H new ATOM 0 HA GLN A 89 16.573 3.714 -13.617 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.514 3.777 -15.939 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.176 5.482 -15.720 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.003 4.837 -15.139 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.553 4.385 -16.771 1.00 0.00 H new ATOM 0 HE21 GLN A 89 19.231 6.734 -15.701 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.476 8.160 -16.421 1.00 0.00 H new ATOM 1366 N HIS A 90 15.401 6.550 -12.698 1.00 0.00 N ATOM 1367 CA HIS A 90 15.814 7.822 -12.016 1.00 0.00 C ATOM 1368 C HIS A 90 14.603 8.635 -11.542 1.00 0.00 C ATOM 1369 O HIS A 90 14.708 9.420 -10.620 1.00 0.00 O ATOM 1370 CB HIS A 90 16.572 8.619 -13.081 1.00 0.00 C ATOM 1371 CG HIS A 90 18.032 8.709 -12.717 1.00 0.00 C ATOM 1372 ND1 HIS A 90 18.895 9.594 -13.343 1.00 0.00 N ATOM 1373 CD2 HIS A 90 18.794 8.030 -11.798 1.00 0.00 C ATOM 1374 CE1 HIS A 90 20.114 9.427 -12.799 1.00 0.00 C ATOM 1375 NE2 HIS A 90 20.108 8.486 -11.852 1.00 0.00 N ATOM 0 H HIS A 90 14.399 6.359 -12.702 1.00 0.00 H new ATOM 0 HA HIS A 90 16.413 7.608 -11.131 1.00 0.00 H new ATOM 0 HB2 HIS A 90 16.460 8.140 -14.054 1.00 0.00 H new ATOM 0 HB3 HIS A 90 16.148 9.619 -13.168 1.00 0.00 H new ATOM 0 HD2 HIS A 90 18.429 7.260 -11.135 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.990 9.986 -13.092 1.00 0.00 H new ATOM 0 HE2 HIS A 90 20.897 8.169 -11.289 1.00 0.00 H new ATOM 1383 N GLY A 91 13.464 8.479 -12.164 1.00 0.00 N ATOM 1384 CA GLY A 91 12.279 9.280 -11.731 1.00 0.00 C ATOM 1385 C GLY A 91 11.995 8.995 -10.258 1.00 0.00 C ATOM 1386 O GLY A 91 11.859 9.898 -9.458 1.00 0.00 O ATOM 0 H GLY A 91 13.303 7.841 -12.943 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.469 10.343 -11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.410 9.025 -12.338 1.00 0.00 H new ATOM 1390 N ILE A 92 11.926 7.748 -9.890 1.00 0.00 N ATOM 1391 CA ILE A 92 11.678 7.406 -8.465 1.00 0.00 C ATOM 1392 C ILE A 92 12.367 6.082 -8.140 1.00 0.00 C ATOM 1393 O ILE A 92 12.811 5.374 -9.024 1.00 0.00 O ATOM 1394 CB ILE A 92 10.160 7.274 -8.330 1.00 0.00 C ATOM 1395 CG1 ILE A 92 9.663 6.164 -9.256 1.00 0.00 C ATOM 1396 CG2 ILE A 92 9.488 8.598 -8.705 1.00 0.00 C ATOM 1397 CD1 ILE A 92 9.778 4.818 -8.540 1.00 0.00 C ATOM 0 H ILE A 92 12.031 6.950 -10.516 1.00 0.00 H new ATOM 0 HA ILE A 92 12.068 8.159 -7.780 1.00 0.00 H new ATOM 0 HB ILE A 92 9.909 7.027 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.628 6.350 -9.542 1.00 0.00 H new ATOM 0 HG13 ILE A 92 10.250 6.151 -10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 92 8.407 8.498 -8.607 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.841 9.386 -8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.737 8.853 -9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.424 4.024 -9.198 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.820 4.634 -8.277 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.172 4.835 -7.634 1.00 0.00 H new ATOM 1409 N HIS A 93 12.451 5.734 -6.890 1.00 0.00 N ATOM 1410 CA HIS A 93 13.103 4.446 -6.523 1.00 0.00 C ATOM 1411 C HIS A 93 12.068 3.500 -5.905 1.00 0.00 C ATOM 1412 O HIS A 93 12.132 2.299 -6.076 1.00 0.00 O ATOM 1413 CB HIS A 93 14.181 4.818 -5.503 1.00 0.00 C ATOM 1414 CG HIS A 93 15.126 5.828 -6.102 1.00 0.00 C ATOM 1415 ND1 HIS A 93 15.988 6.580 -5.321 1.00 0.00 N ATOM 1416 CD2 HIS A 93 15.357 6.223 -7.401 1.00 0.00 C ATOM 1417 CE1 HIS A 93 16.691 7.380 -6.144 1.00 0.00 C ATOM 1418 NE2 HIS A 93 16.345 7.202 -7.422 1.00 0.00 N ATOM 0 H HIS A 93 12.098 6.283 -6.106 1.00 0.00 H new ATOM 0 HA HIS A 93 13.530 3.933 -7.385 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.719 5.227 -4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 93 14.731 3.927 -5.200 1.00 0.00 H new ATOM 0 HD2 HIS A 93 14.849 5.832 -8.270 1.00 0.00 H new ATOM 0 HE1 HIS A 93 17.443 8.080 -5.812 1.00 0.00 H new ATOM 0 HE2 HIS A 93 16.724 7.681 -8.239 1.00 0.00 H new ATOM 1426 N ASP A 94 11.111 4.041 -5.194 1.00 0.00 N ATOM 1427 CA ASP A 94 10.057 3.188 -4.561 1.00 0.00 C ATOM 1428 C ASP A 94 9.052 4.070 -3.812 1.00 0.00 C ATOM 1429 O ASP A 94 8.556 3.707 -2.763 1.00 0.00 O ATOM 1430 CB ASP A 94 10.801 2.279 -3.579 1.00 0.00 C ATOM 1431 CG ASP A 94 9.814 1.307 -2.930 1.00 0.00 C ATOM 1432 OD1 ASP A 94 8.918 0.854 -3.623 1.00 0.00 O ATOM 1433 OD2 ASP A 94 9.970 1.033 -1.752 1.00 0.00 O ATOM 0 H ASP A 94 11.013 5.042 -5.023 1.00 0.00 H new ATOM 0 HA ASP A 94 9.499 2.612 -5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.582 1.726 -4.100 1.00 0.00 H new ATOM 0 HB3 ASP A 94 11.293 2.879 -2.813 1.00 0.00 H new ATOM 1438 N GLY A 95 8.753 5.227 -4.339 1.00 0.00 N ATOM 1439 CA GLY A 95 7.785 6.133 -3.655 1.00 0.00 C ATOM 1440 C GLY A 95 8.481 7.445 -3.289 1.00 0.00 C ATOM 1441 O GLY A 95 8.728 7.724 -2.132 1.00 0.00 O ATOM 0 H GLY A 95 9.137 5.584 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.934 6.331 -4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.395 5.654 -2.757 1.00 0.00 H new ATOM 1445 N LEU A 96 8.798 8.252 -4.266 1.00 0.00 N ATOM 1446 CA LEU A 96 9.478 9.549 -3.976 1.00 0.00 C ATOM 1447 C LEU A 96 8.535 10.718 -4.272 1.00 0.00 C ATOM 1448 O LEU A 96 7.444 10.533 -4.775 1.00 0.00 O ATOM 1449 CB LEU A 96 10.686 9.581 -4.915 1.00 0.00 C ATOM 1450 CG LEU A 96 11.961 9.293 -4.120 1.00 0.00 C ATOM 1451 CD1 LEU A 96 12.227 7.786 -4.105 1.00 0.00 C ATOM 1452 CD2 LEU A 96 13.142 10.012 -4.778 1.00 0.00 C ATOM 0 H LEU A 96 8.616 8.070 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 96 9.773 9.637 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 96 10.564 8.842 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 96 10.759 10.556 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 96 11.839 9.649 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 96 13.136 7.583 -3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.386 7.273 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.349 7.428 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.052 9.809 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 96 13.262 9.654 -5.801 1.00 0.00 H new ATOM 0 HD23 LEU A 96 12.954 11.086 -4.789 1.00 0.00 H new ATOM 1464 N THR A 97 8.947 11.919 -3.963 1.00 0.00 N ATOM 1465 CA THR A 97 8.075 13.101 -4.226 1.00 0.00 C ATOM 1466 C THR A 97 8.679 13.969 -5.333 1.00 0.00 C ATOM 1467 O THR A 97 9.883 14.088 -5.454 1.00 0.00 O ATOM 1468 CB THR A 97 8.036 13.868 -2.903 1.00 0.00 C ATOM 1469 OG1 THR A 97 9.356 14.246 -2.539 1.00 0.00 O ATOM 1470 CG2 THR A 97 7.437 12.979 -1.812 1.00 0.00 C ATOM 0 H THR A 97 9.850 12.133 -3.540 1.00 0.00 H new ATOM 0 HA THR A 97 7.078 12.812 -4.559 1.00 0.00 H new ATOM 0 HB THR A 97 7.421 14.760 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.333 14.739 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.410 13.527 -0.870 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.424 12.690 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.049 12.085 -1.694 1.00 0.00 H new ATOM 1478 N VAL A 98 7.850 14.573 -6.144 1.00 0.00 N ATOM 1479 CA VAL A 98 8.378 15.430 -7.248 1.00 0.00 C ATOM 1480 C VAL A 98 7.473 16.651 -7.452 1.00 0.00 C ATOM 1481 O VAL A 98 6.286 16.603 -7.195 1.00 0.00 O ATOM 1482 CB VAL A 98 8.356 14.529 -8.484 1.00 0.00 C ATOM 1483 CG1 VAL A 98 8.889 15.300 -9.697 1.00 0.00 C ATOM 1484 CG2 VAL A 98 9.236 13.301 -8.233 1.00 0.00 C ATOM 0 H VAL A 98 6.833 14.511 -6.090 1.00 0.00 H new ATOM 0 HA VAL A 98 9.377 15.812 -7.037 1.00 0.00 H new ATOM 0 HB VAL A 98 7.332 14.212 -8.681 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.871 14.654 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.263 16.174 -9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.912 15.621 -9.503 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.222 12.657 -9.113 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.259 13.621 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.855 12.750 -7.374 1.00 0.00 H new ATOM 1494 N HIS A 99 8.025 17.745 -7.913 1.00 0.00 N ATOM 1495 CA HIS A 99 7.193 18.967 -8.132 1.00 0.00 C ATOM 1496 C HIS A 99 6.629 18.975 -9.556 1.00 0.00 C ATOM 1497 O HIS A 99 7.363 19.047 -10.520 1.00 0.00 O ATOM 1498 CB HIS A 99 8.153 20.140 -7.929 1.00 0.00 C ATOM 1499 CG HIS A 99 7.437 21.259 -7.224 1.00 0.00 C ATOM 1500 ND1 HIS A 99 6.794 21.077 -6.009 1.00 0.00 N ATOM 1501 CD2 HIS A 99 7.256 22.581 -7.548 1.00 0.00 C ATOM 1502 CE1 HIS A 99 6.260 22.259 -5.651 1.00 0.00 C ATOM 1503 NE2 HIS A 99 6.513 23.210 -6.554 1.00 0.00 N ATOM 0 H HIS A 99 9.013 17.845 -8.147 1.00 0.00 H new ATOM 0 HA HIS A 99 6.341 19.014 -7.453 1.00 0.00 H new ATOM 0 HB2 HIS A 99 9.016 19.821 -7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 99 8.531 20.485 -8.891 1.00 0.00 H new ATOM 0 HD2 HIS A 99 7.633 23.060 -8.439 1.00 0.00 H new ATOM 0 HE1 HIS A 99 5.696 22.419 -4.744 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.224 24.188 -6.522 1.00 0.00 H new ATOM 1511 N LEU A 100 5.331 18.901 -9.697 1.00 0.00 N ATOM 1512 CA LEU A 100 4.726 18.902 -11.062 1.00 0.00 C ATOM 1513 C LEU A 100 4.782 20.305 -11.672 1.00 0.00 C ATOM 1514 O LEU A 100 4.710 21.299 -10.976 1.00 0.00 O ATOM 1515 CB LEU A 100 3.275 18.466 -10.858 1.00 0.00 C ATOM 1516 CG LEU A 100 2.631 18.172 -12.218 1.00 0.00 C ATOM 1517 CD1 LEU A 100 1.955 16.800 -12.179 1.00 0.00 C ATOM 1518 CD2 LEU A 100 1.584 19.245 -12.530 1.00 0.00 C ATOM 0 H LEU A 100 4.665 18.840 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 100 5.259 18.240 -11.744 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.237 17.578 -10.227 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.718 19.249 -10.342 1.00 0.00 H new ATOM 0 HG LEU A 100 3.400 18.177 -12.990 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.498 16.592 -13.146 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.698 16.034 -11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.187 16.795 -11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.126 19.036 -13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.816 19.240 -11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.063 20.223 -12.559 1.00 0.00 H new ATOM 1530 N VAL A 101 4.907 20.390 -12.970 1.00 0.00 N ATOM 1531 CA VAL A 101 4.966 21.726 -13.636 1.00 0.00 C ATOM 1532 C VAL A 101 4.877 21.560 -15.157 1.00 0.00 C ATOM 1533 O VAL A 101 5.267 20.546 -15.703 1.00 0.00 O ATOM 1534 CB VAL A 101 6.320 22.316 -13.232 1.00 0.00 C ATOM 1535 CG1 VAL A 101 7.448 21.393 -13.701 1.00 0.00 C ATOM 1536 CG2 VAL A 101 6.490 23.695 -13.877 1.00 0.00 C ATOM 0 H VAL A 101 4.971 19.590 -13.600 1.00 0.00 H new ATOM 0 HA VAL A 101 4.141 22.373 -13.339 1.00 0.00 H new ATOM 0 HB VAL A 101 6.360 22.412 -12.147 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.409 21.817 -13.411 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.331 20.412 -13.241 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.408 21.292 -14.786 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.454 24.115 -13.589 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.446 23.597 -14.962 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.691 24.355 -13.540 1.00 0.00 H new ATOM 1546 N ILE A 102 4.372 22.550 -15.843 1.00 0.00 N ATOM 1547 CA ILE A 102 4.265 22.450 -17.330 1.00 0.00 C ATOM 1548 C ILE A 102 5.298 23.366 -17.996 1.00 0.00 C ATOM 1549 O ILE A 102 5.495 24.493 -17.590 1.00 0.00 O ATOM 1550 CB ILE A 102 2.838 22.891 -17.690 1.00 0.00 C ATOM 1551 CG1 ILE A 102 2.513 24.242 -17.019 1.00 0.00 C ATOM 1552 CG2 ILE A 102 1.841 21.815 -17.245 1.00 0.00 C ATOM 1553 CD1 ILE A 102 1.784 24.028 -15.686 1.00 0.00 C ATOM 0 H ILE A 102 4.029 23.422 -15.440 1.00 0.00 H new ATOM 0 HA ILE A 102 4.460 21.436 -17.678 1.00 0.00 H new ATOM 0 HB ILE A 102 2.762 23.019 -18.770 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.434 24.800 -16.849 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.894 24.844 -17.684 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.829 22.129 -17.501 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.069 20.877 -17.751 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.915 21.674 -16.167 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.565 24.994 -15.232 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.852 23.491 -15.863 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.416 23.446 -15.015 1.00 0.00 H new