USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 404 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 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 168:sc= 0.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= -0.117 (180deg=-0.755) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -80:sc= -0.678! USER MOD Single : A 77 SER OG : rot -53:sc= 0.0957 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.05 K(o=-1,f=-5.4!) USER MOD Single : A 83 ASN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -66:sc= 1.25 USER MOD Single : A 91 ASN : amide:sc= -2.81! C(o=-2.8!,f=-6.4!) USER MOD Single : A 92 LYS NZ :NH3+ -127:sc= 0.609 (180deg=-0.00312) USER MOD Single : A 93 HIS : no HE2:sc= -2.27 K(o=-2.3,f=-4.6!) USER MOD Single : A 95 TYR OH : rot 127:sc= 0.217 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 145:sc= -0.133 (180deg=-0.969) USER MOD Single : A 102 MET CE :methyl -164:sc= -1.02 (180deg=-1.51) USER MOD Single : A 108 GLN : amide:sc= 0.299 K(o=0.3,f=-2.6!) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 385 N LEU A 63 16.298 27.311 20.482 1.00 15.00 N ATOM 386 CA LEU A 63 15.807 26.287 21.401 1.00 15.00 C ATOM 387 C LEU A 63 14.284 26.304 21.448 1.00 15.00 C ATOM 388 O LEU A 63 13.673 27.359 21.614 1.00 15.00 O ATOM 389 CB LEU A 63 16.366 26.530 22.806 1.00 15.00 C ATOM 390 CG LEU A 63 17.898 26.553 22.766 1.00 15.00 C ATOM 391 CD1 LEU A 63 18.437 26.886 24.159 1.00 15.00 C ATOM 392 CD2 LEU A 63 18.426 25.180 22.340 1.00 15.00 C ATOM 0 HA LEU A 63 16.141 25.313 21.044 1.00 15.00 H new ATOM 0 HB2 LEU A 63 15.990 27.476 23.197 1.00 15.00 H new ATOM 0 HB3 LEU A 63 16.024 25.747 23.483 1.00 15.00 H new ATOM 0 HG LEU A 63 18.227 27.307 22.051 1.00 15.00 H new ATOM 0 HD11 LEU A 63 19.527 26.903 24.133 1.00 15.00 H new ATOM 0 HD12 LEU A 63 18.066 27.863 24.469 1.00 15.00 H new ATOM 0 HD13 LEU A 63 18.103 26.129 24.869 1.00 15.00 H new ATOM 0 HD21 LEU A 63 19.515 25.201 22.313 1.00 15.00 H new ATOM 0 HD22 LEU A 63 18.095 24.426 23.054 1.00 15.00 H new ATOM 0 HD23 LEU A 63 18.043 24.934 21.349 1.00 15.00 H new ATOM 404 N PHE A 64 13.675 25.137 21.266 1.00 15.00 N ATOM 405 CA PHE A 64 12.222 25.029 21.316 1.00 15.00 C ATOM 406 C PHE A 64 11.755 24.581 22.698 1.00 15.00 C ATOM 407 O PHE A 64 12.271 23.610 23.251 1.00 15.00 O ATOM 408 CB PHE A 64 11.737 24.029 20.265 1.00 15.00 C ATOM 409 CG PHE A 64 12.007 24.470 18.846 1.00 15.00 C ATOM 410 CD1 PHE A 64 11.110 25.327 18.196 1.00 15.00 C ATOM 411 CD2 PHE A 64 13.155 24.023 18.180 1.00 15.00 C ATOM 412 CE1 PHE A 64 11.360 25.736 16.881 1.00 15.00 C ATOM 413 CE2 PHE A 64 13.405 24.432 16.864 1.00 15.00 C ATOM 414 CZ PHE A 64 12.508 25.289 16.215 1.00 15.00 C ATOM 0 H PHE A 64 14.161 24.259 21.084 1.00 15.00 H new ATOM 0 HA PHE A 64 11.801 26.013 21.108 1.00 15.00 H new ATOM 0 HB2 PHE A 64 12.222 23.068 20.437 1.00 15.00 H new ATOM 0 HB3 PHE A 64 10.666 23.872 20.391 1.00 15.00 H new ATOM 0 HD1 PHE A 64 10.225 25.672 18.710 1.00 15.00 H new ATOM 0 HD2 PHE A 64 13.848 23.363 18.681 1.00 15.00 H new ATOM 0 HE1 PHE A 64 10.668 26.396 16.380 1.00 15.00 H new ATOM 0 HE2 PHE A 64 14.290 24.086 16.350 1.00 15.00 H new ATOM 0 HZ PHE A 64 12.701 25.605 15.201 1.00 15.00 H new ATOM 424 N TYR A 65 10.776 25.292 23.253 1.00 15.00 N ATOM 425 CA TYR A 65 10.169 24.893 24.522 1.00 15.00 C ATOM 426 C TYR A 65 8.683 24.626 24.312 1.00 15.00 C ATOM 427 O TYR A 65 8.016 25.359 23.583 1.00 15.00 O ATOM 428 CB TYR A 65 10.350 25.996 25.567 1.00 15.00 C ATOM 429 CG TYR A 65 9.992 25.556 26.967 1.00 15.00 C ATOM 430 CD1 TYR A 65 10.951 24.917 27.761 1.00 15.00 C ATOM 431 CD2 TYR A 65 8.705 25.782 27.471 1.00 15.00 C ATOM 432 CE1 TYR A 65 10.626 24.504 29.058 1.00 15.00 C ATOM 433 CE2 TYR A 65 8.378 25.368 28.769 1.00 15.00 C ATOM 434 CZ TYR A 65 9.339 24.729 29.563 1.00 15.00 C ATOM 435 OH TYR A 65 9.022 24.318 30.842 1.00 15.00 O ATOM 0 H TYR A 65 10.387 26.143 22.847 1.00 15.00 H new ATOM 0 HA TYR A 65 10.658 23.987 24.879 1.00 15.00 H new ATOM 0 HB2 TYR A 65 11.386 26.334 25.553 1.00 15.00 H new ATOM 0 HB3 TYR A 65 9.732 26.851 25.293 1.00 15.00 H new ATOM 0 HD1 TYR A 65 11.943 24.742 27.372 1.00 15.00 H new ATOM 0 HD2 TYR A 65 7.964 26.275 26.859 1.00 15.00 H new ATOM 0 HE1 TYR A 65 11.368 24.012 29.670 1.00 15.00 H new ATOM 0 HE2 TYR A 65 7.385 25.542 29.157 1.00 15.00 H new ATOM 0 HH TYR A 65 8.169 24.717 31.112 1.00 15.00 H new ATOM 445 N THR A 66 8.167 23.575 24.942 1.00 15.00 N ATOM 446 CA THR A 66 6.770 23.194 24.750 1.00 15.00 C ATOM 447 C THR A 66 5.912 23.637 25.931 1.00 15.00 C ATOM 448 O THR A 66 6.340 23.575 27.084 1.00 15.00 O ATOM 449 CB THR A 66 6.665 21.676 24.585 1.00 15.00 C ATOM 450 OG1 THR A 66 7.546 21.252 23.556 1.00 15.00 O ATOM 451 CG2 THR A 66 5.229 21.297 24.216 1.00 15.00 C ATOM 0 H THR A 66 8.688 22.977 25.583 1.00 15.00 H new ATOM 0 HA THR A 66 6.404 23.690 23.851 1.00 15.00 H new ATOM 0 HB THR A 66 6.937 21.190 25.522 1.00 15.00 H new ATOM 0 HG1 THR A 66 7.481 20.280 23.450 1.00 15.00 H new ATOM 0 HG21 THR A 66 5.157 20.216 24.099 1.00 15.00 H new ATOM 0 HG22 THR A 66 4.552 21.623 25.006 1.00 15.00 H new ATOM 0 HG23 THR A 66 4.954 21.782 23.280 1.00 15.00 H new ATOM 459 N LEU A 67 4.697 24.083 25.628 1.00 15.00 N ATOM 460 CA LEU A 67 3.760 24.512 26.659 1.00 15.00 C ATOM 461 C LEU A 67 2.979 23.325 27.211 1.00 15.00 C ATOM 462 O LEU A 67 2.380 22.560 26.455 1.00 15.00 O ATOM 463 CB LEU A 67 2.782 25.531 26.065 1.00 15.00 C ATOM 464 CG LEU A 67 3.525 26.821 25.711 1.00 15.00 C ATOM 465 CD1 LEU A 67 2.596 27.742 24.917 1.00 15.00 C ATOM 466 CD2 LEU A 67 3.961 27.528 26.997 1.00 15.00 C ATOM 0 H LEU A 67 4.339 24.157 24.676 1.00 15.00 H new ATOM 0 HA LEU A 67 4.325 24.966 27.474 1.00 15.00 H new ATOM 0 HB2 LEU A 67 2.309 25.118 25.174 1.00 15.00 H new ATOM 0 HB3 LEU A 67 1.986 25.744 26.779 1.00 15.00 H new ATOM 0 HG LEU A 67 4.403 26.581 25.111 1.00 15.00 H new ATOM 0 HD11 LEU A 67 3.124 28.661 24.664 1.00 15.00 H new ATOM 0 HD12 LEU A 67 2.282 27.241 24.002 1.00 15.00 H new ATOM 0 HD13 LEU A 67 1.719 27.981 25.519 1.00 15.00 H new ATOM 0 HD21 LEU A 67 4.490 28.447 26.745 1.00 15.00 H new ATOM 0 HD22 LEU A 67 3.083 27.768 27.596 1.00 15.00 H new ATOM 0 HD23 LEU A 67 4.621 26.873 27.566 1.00 15.00 H new ATOM 478 N LYS A 68 2.959 23.207 28.536 1.00 15.00 N ATOM 479 CA LYS A 68 2.254 22.114 29.200 1.00 15.00 C ATOM 480 C LYS A 68 1.262 22.663 30.219 1.00 15.00 C ATOM 481 O LYS A 68 1.536 23.650 30.901 1.00 15.00 O ATOM 482 CB LYS A 68 3.258 21.200 29.907 1.00 15.00 C ATOM 483 CG LYS A 68 2.530 19.976 30.465 1.00 15.00 C ATOM 484 CD LYS A 68 3.517 19.106 31.245 1.00 15.00 C ATOM 485 CE LYS A 68 2.829 17.806 31.668 1.00 15.00 C ATOM 486 NZ LYS A 68 2.442 17.032 30.454 1.00 15.00 N ATOM 0 H LYS A 68 3.423 23.856 29.172 1.00 15.00 H new ATOM 0 HA LYS A 68 1.710 21.544 28.447 1.00 15.00 H new ATOM 0 HB2 LYS A 68 4.035 20.887 29.209 1.00 15.00 H new ATOM 0 HB3 LYS A 68 3.753 21.741 30.714 1.00 15.00 H new ATOM 0 HG2 LYS A 68 1.714 20.290 31.115 1.00 15.00 H new ATOM 0 HG3 LYS A 68 2.087 19.401 29.652 1.00 15.00 H new ATOM 0 HD2 LYS A 68 4.389 18.885 30.629 1.00 15.00 H new ATOM 0 HD3 LYS A 68 3.876 19.643 32.123 1.00 15.00 H new ATOM 0 HE2 LYS A 68 3.498 17.214 32.292 1.00 15.00 H new ATOM 0 HE3 LYS A 68 1.946 18.027 32.268 1.00 15.00 H new ATOM 0 HZ1 LYS A 68 2.377 16.022 30.693 1.00 15.00 H new ATOM 0 HZ2 LYS A 68 1.520 17.367 30.108 1.00 15.00 H new ATOM 0 HZ3 LYS A 68 3.159 17.167 29.713 1.00 15.00 H new ATOM 500 N THR A 69 0.112 22.006 30.340 1.00 15.00 N ATOM 501 CA THR A 69 -0.934 22.466 31.252 1.00 15.00 C ATOM 502 C THR A 69 -0.391 22.680 32.663 1.00 15.00 C ATOM 503 O THR A 69 0.326 21.836 33.200 1.00 15.00 O ATOM 504 CB THR A 69 -2.074 21.445 31.294 1.00 15.00 C ATOM 505 OG1 THR A 69 -3.067 21.885 32.209 1.00 15.00 O ATOM 506 CG2 THR A 69 -1.532 20.085 31.741 1.00 15.00 C ATOM 0 H THR A 69 -0.120 21.158 29.822 1.00 15.00 H new ATOM 0 HA THR A 69 -1.305 23.421 30.880 1.00 15.00 H new ATOM 0 HB THR A 69 -2.511 21.348 30.300 1.00 15.00 H new ATOM 0 HG1 THR A 69 -3.799 21.234 32.236 1.00 15.00 H new ATOM 0 HG21 THR A 69 -2.346 19.361 31.770 1.00 15.00 H new ATOM 0 HG22 THR A 69 -0.771 19.748 31.038 1.00 15.00 H new ATOM 0 HG23 THR A 69 -1.093 20.177 32.734 1.00 15.00 H new ATOM 514 N GLY A 70 -0.743 23.818 33.257 1.00 15.00 N ATOM 515 CA GLY A 70 -0.289 24.148 34.606 1.00 15.00 C ATOM 516 C GLY A 70 0.737 25.284 34.609 1.00 15.00 C ATOM 517 O GLY A 70 0.838 26.025 35.586 1.00 15.00 O ATOM 0 H GLY A 70 -1.339 24.525 32.827 1.00 15.00 H new ATOM 0 HA2 GLY A 70 -1.146 24.433 35.216 1.00 15.00 H new ATOM 0 HA3 GLY A 70 0.150 23.263 35.066 1.00 15.00 H new ATOM 521 N GLU A 71 1.496 25.426 33.523 1.00 15.00 N ATOM 522 CA GLU A 71 2.511 26.473 33.436 1.00 15.00 C ATOM 523 C GLU A 71 2.086 27.540 32.432 1.00 15.00 C ATOM 524 O GLU A 71 1.473 27.232 31.410 1.00 15.00 O ATOM 525 CB GLU A 71 3.845 25.866 33.001 1.00 15.00 C ATOM 526 CG GLU A 71 4.958 26.908 33.162 1.00 15.00 C ATOM 527 CD GLU A 71 6.307 26.389 32.653 1.00 15.00 C ATOM 528 OE1 GLU A 71 6.364 25.293 32.114 1.00 15.00 O ATOM 529 OE2 GLU A 71 7.280 27.104 32.824 1.00 15.00 O ATOM 0 H GLU A 71 1.428 24.833 32.696 1.00 15.00 H new ATOM 0 HA GLU A 71 2.623 26.934 34.418 1.00 15.00 H new ATOM 0 HB2 GLU A 71 4.068 24.984 33.601 1.00 15.00 H new ATOM 0 HB3 GLU A 71 3.786 25.538 31.963 1.00 15.00 H new ATOM 0 HG2 GLU A 71 4.689 27.813 32.618 1.00 15.00 H new ATOM 0 HG3 GLU A 71 5.048 27.183 34.213 1.00 15.00 H new ATOM 536 N THR A 72 2.416 28.795 32.726 1.00 15.00 N ATOM 537 CA THR A 72 2.043 29.907 31.852 1.00 15.00 C ATOM 538 C THR A 72 3.281 30.556 31.240 1.00 15.00 C ATOM 539 O THR A 72 4.395 30.405 31.742 1.00 15.00 O ATOM 540 CB THR A 72 1.261 30.958 32.645 1.00 15.00 C ATOM 541 OG1 THR A 72 2.095 31.503 33.658 1.00 15.00 O ATOM 542 CG2 THR A 72 0.027 30.317 33.284 1.00 15.00 C ATOM 0 H THR A 72 2.938 29.068 33.558 1.00 15.00 H new ATOM 0 HA THR A 72 1.419 29.512 31.050 1.00 15.00 H new ATOM 0 HB THR A 72 0.940 31.752 31.971 1.00 15.00 H new ATOM 0 HG1 THR A 72 2.121 30.892 34.424 1.00 15.00 H new ATOM 0 HG21 THR A 72 -0.524 31.070 33.846 1.00 15.00 H new ATOM 0 HG22 THR A 72 -0.614 29.905 32.504 1.00 15.00 H new ATOM 0 HG23 THR A 72 0.339 29.518 33.957 1.00 15.00 H new ATOM 550 N VAL A 73 3.076 31.302 30.159 1.00 15.00 N ATOM 551 CA VAL A 73 4.185 31.969 29.482 1.00 15.00 C ATOM 552 C VAL A 73 4.907 32.900 30.454 1.00 15.00 C ATOM 553 O VAL A 73 6.137 32.941 30.493 1.00 15.00 O ATOM 554 CB VAL A 73 3.661 32.764 28.278 1.00 15.00 C ATOM 555 CG1 VAL A 73 4.825 33.424 27.532 1.00 15.00 C ATOM 556 CG2 VAL A 73 2.926 31.820 27.322 1.00 15.00 C ATOM 0 H VAL A 73 2.162 31.460 29.735 1.00 15.00 H new ATOM 0 HA VAL A 73 4.890 31.216 29.128 1.00 15.00 H new ATOM 0 HB VAL A 73 2.980 33.536 28.636 1.00 15.00 H new ATOM 0 HG11 VAL A 73 4.440 33.985 26.680 1.00 15.00 H new ATOM 0 HG12 VAL A 73 5.351 34.101 28.205 1.00 15.00 H new ATOM 0 HG13 VAL A 73 5.513 32.656 27.179 1.00 15.00 H new ATOM 0 HG21 VAL A 73 2.554 32.385 26.467 1.00 15.00 H new ATOM 0 HG22 VAL A 73 3.612 31.047 26.975 1.00 15.00 H new ATOM 0 HG23 VAL A 73 2.088 31.355 27.842 1.00 15.00 H new ATOM 566 N ALA A 74 4.137 33.627 31.258 1.00 15.00 N ATOM 567 CA ALA A 74 4.725 34.544 32.228 1.00 15.00 C ATOM 568 C ALA A 74 5.631 33.792 33.200 1.00 15.00 C ATOM 569 O ALA A 74 6.702 34.277 33.561 1.00 15.00 O ATOM 570 CB ALA A 74 3.621 35.268 33.002 1.00 15.00 C ATOM 0 H ALA A 74 3.117 33.600 31.258 1.00 15.00 H new ATOM 0 HA ALA A 74 5.325 35.277 31.688 1.00 15.00 H new ATOM 0 HB1 ALA A 74 4.070 35.950 33.724 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.000 35.833 32.307 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.006 34.537 33.527 1.00 15.00 H new ATOM 576 N ASP A 75 5.214 32.593 33.603 1.00 15.00 N ATOM 577 CA ASP A 75 6.002 31.803 34.543 1.00 15.00 C ATOM 578 C ASP A 75 7.377 31.495 33.957 1.00 15.00 C ATOM 579 O ASP A 75 8.398 31.641 34.629 1.00 15.00 O ATOM 580 CB ASP A 75 5.275 30.495 34.864 1.00 15.00 C ATOM 581 CG ASP A 75 3.957 30.775 35.584 1.00 15.00 C ATOM 582 OD1 ASP A 75 3.879 31.770 36.288 1.00 15.00 O ATOM 583 OD2 ASP A 75 3.040 29.988 35.418 1.00 15.00 O ATOM 0 H ASP A 75 4.346 32.153 33.297 1.00 15.00 H new ATOM 0 HA ASP A 75 6.130 32.379 35.459 1.00 15.00 H new ATOM 0 HB2 ASP A 75 5.083 29.944 33.943 1.00 15.00 H new ATOM 0 HB3 ASP A 75 5.909 29.864 35.487 1.00 15.00 H new ATOM 588 N LEU A 76 7.400 31.098 32.689 1.00 15.00 N ATOM 589 CA LEU A 76 8.661 30.793 32.021 1.00 15.00 C ATOM 590 C LEU A 76 9.581 32.008 32.039 1.00 15.00 C ATOM 591 O LEU A 76 10.767 31.903 32.349 1.00 15.00 O ATOM 592 CB LEU A 76 8.400 30.379 30.571 1.00 15.00 C ATOM 593 CG LEU A 76 7.785 28.980 30.534 1.00 15.00 C ATOM 594 CD1 LEU A 76 7.056 28.778 29.204 1.00 15.00 C ATOM 595 CD2 LEU A 76 8.897 27.938 30.663 1.00 15.00 C ATOM 0 H LEU A 76 6.570 30.981 32.108 1.00 15.00 H new ATOM 0 HA LEU A 76 9.142 29.973 32.554 1.00 15.00 H new ATOM 0 HB2 LEU A 76 7.729 31.094 30.094 1.00 15.00 H new ATOM 0 HB3 LEU A 76 9.332 30.391 30.006 1.00 15.00 H new ATOM 0 HG LEU A 76 7.079 28.870 31.357 1.00 15.00 H new ATOM 0 HD11 LEU A 76 6.617 27.780 29.177 1.00 15.00 H new ATOM 0 HD12 LEU A 76 6.267 29.524 29.104 1.00 15.00 H new ATOM 0 HD13 LEU A 76 7.763 28.885 28.382 1.00 15.00 H new ATOM 0 HD21 LEU A 76 8.464 26.938 30.637 1.00 15.00 H new ATOM 0 HD22 LEU A 76 9.599 28.051 29.837 1.00 15.00 H new ATOM 0 HD23 LEU A 76 9.422 28.081 31.607 1.00 15.00 H new ATOM 607 N SER A 77 9.015 33.167 31.732 1.00 15.00 N ATOM 608 CA SER A 77 9.798 34.395 31.665 1.00 15.00 C ATOM 609 C SER A 77 10.458 34.700 33.005 1.00 15.00 C ATOM 610 O SER A 77 11.619 35.101 33.054 1.00 15.00 O ATOM 611 CB SER A 77 8.894 35.560 31.264 1.00 15.00 C ATOM 612 OG SER A 77 9.695 36.696 30.972 1.00 15.00 O ATOM 0 H SER A 77 8.023 33.284 31.526 1.00 15.00 H new ATOM 0 HA SER A 77 10.581 34.260 30.919 1.00 15.00 H new ATOM 0 HB2 SER A 77 8.296 35.289 30.394 1.00 15.00 H new ATOM 0 HB3 SER A 77 8.197 35.789 32.070 1.00 15.00 H new ATOM 0 HG SER A 77 10.296 36.875 31.725 1.00 15.00 H new ATOM 618 N LYS A 78 9.710 34.517 34.086 1.00 15.00 N ATOM 619 CA LYS A 78 10.223 34.819 35.418 1.00 15.00 C ATOM 620 C LYS A 78 11.423 33.938 35.753 1.00 15.00 C ATOM 621 O LYS A 78 12.441 34.422 36.247 1.00 15.00 O ATOM 622 CB LYS A 78 9.118 34.603 36.456 1.00 15.00 C ATOM 623 CG LYS A 78 9.595 35.057 37.839 1.00 15.00 C ATOM 624 CD LYS A 78 9.600 36.586 37.909 1.00 15.00 C ATOM 625 CE LYS A 78 9.985 37.031 39.321 1.00 15.00 C ATOM 626 NZ LYS A 78 10.142 38.513 39.349 1.00 15.00 N ATOM 0 H LYS A 78 8.753 34.164 34.068 1.00 15.00 H new ATOM 0 HA LYS A 78 10.546 35.860 35.436 1.00 15.00 H new ATOM 0 HB2 LYS A 78 8.226 35.161 36.170 1.00 15.00 H new ATOM 0 HB3 LYS A 78 8.839 33.550 36.487 1.00 15.00 H new ATOM 0 HG2 LYS A 78 8.941 34.651 38.611 1.00 15.00 H new ATOM 0 HG3 LYS A 78 10.596 34.672 38.033 1.00 15.00 H new ATOM 0 HD2 LYS A 78 10.305 36.992 37.184 1.00 15.00 H new ATOM 0 HD3 LYS A 78 8.616 36.976 37.649 1.00 15.00 H new ATOM 0 HE2 LYS A 78 9.219 36.722 40.033 1.00 15.00 H new ATOM 0 HE3 LYS A 78 10.915 36.550 39.625 1.00 15.00 H new ATOM 0 HZ1 LYS A 78 10.404 38.816 40.309 1.00 15.00 H new ATOM 0 HZ2 LYS A 78 10.887 38.796 38.681 1.00 15.00 H new ATOM 0 HZ3 LYS A 78 9.245 38.962 39.077 1.00 15.00 H new ATOM 640 N SER A 79 11.296 32.644 35.481 1.00 15.00 N ATOM 641 CA SER A 79 12.357 31.696 35.805 1.00 15.00 C ATOM 642 C SER A 79 13.641 32.025 35.049 1.00 15.00 C ATOM 643 O SER A 79 14.734 31.978 35.613 1.00 15.00 O ATOM 644 CB SER A 79 11.909 30.277 35.455 1.00 15.00 C ATOM 645 OG SER A 79 12.870 29.351 35.943 1.00 15.00 O ATOM 0 H SER A 79 10.475 32.229 35.040 1.00 15.00 H new ATOM 0 HA SER A 79 12.559 31.767 36.874 1.00 15.00 H new ATOM 0 HB2 SER A 79 10.933 30.072 35.894 1.00 15.00 H new ATOM 0 HB3 SER A 79 11.801 30.173 34.375 1.00 15.00 H new ATOM 0 HG SER A 79 12.587 28.439 35.723 1.00 15.00 H new ATOM 651 N GLN A 80 13.502 32.357 33.770 1.00 15.00 N ATOM 652 CA GLN A 80 14.664 32.658 32.933 1.00 15.00 C ATOM 653 C GLN A 80 15.200 34.085 33.120 1.00 15.00 C ATOM 654 O GLN A 80 16.188 34.453 32.483 1.00 15.00 O ATOM 655 CB GLN A 80 14.300 32.450 31.462 1.00 15.00 C ATOM 656 CG GLN A 80 13.968 30.975 31.222 1.00 15.00 C ATOM 657 CD GLN A 80 13.516 30.754 29.780 1.00 15.00 C ATOM 658 OE1 GLN A 80 13.138 31.699 29.086 1.00 15.00 O ATOM 659 NE2 GLN A 80 13.532 29.547 29.284 1.00 15.00 N ATOM 0 H GLN A 80 12.604 32.425 33.290 1.00 15.00 H new ATOM 0 HA GLN A 80 15.456 31.977 33.244 1.00 15.00 H new ATOM 0 HB2 GLN A 80 13.447 33.074 31.196 1.00 15.00 H new ATOM 0 HB3 GLN A 80 15.130 32.756 30.824 1.00 15.00 H new ATOM 0 HG2 GLN A 80 14.843 30.361 31.433 1.00 15.00 H new ATOM 0 HG3 GLN A 80 13.183 30.657 31.908 1.00 15.00 H new ATOM 0 HE21 GLN A 80 13.845 28.764 29.858 1.00 15.00 H new ATOM 0 HE22 GLN A 80 13.232 29.387 28.322 1.00 15.00 H new ATOM 668 N ASP A 81 14.568 34.887 33.978 1.00 15.00 N ATOM 669 CA ASP A 81 15.014 36.260 34.197 1.00 15.00 C ATOM 670 C ASP A 81 14.998 37.042 32.883 1.00 15.00 C ATOM 671 O ASP A 81 15.913 37.810 32.582 1.00 15.00 O ATOM 672 CB ASP A 81 16.426 36.258 34.791 1.00 15.00 C ATOM 673 CG ASP A 81 16.814 37.660 35.253 1.00 15.00 C ATOM 674 OD1 ASP A 81 15.933 38.402 35.658 1.00 15.00 O ATOM 675 OD2 ASP A 81 17.992 37.974 35.195 1.00 15.00 O ATOM 0 H ASP A 81 13.754 34.612 34.527 1.00 15.00 H new ATOM 0 HA ASP A 81 14.332 36.744 34.896 1.00 15.00 H new ATOM 0 HB2 ASP A 81 16.472 35.566 35.632 1.00 15.00 H new ATOM 0 HB3 ASP A 81 17.139 35.904 34.047 1.00 15.00 H new ATOM 680 N ILE A 82 13.938 36.842 32.105 1.00 15.00 N ATOM 681 CA ILE A 82 13.780 37.525 30.824 1.00 15.00 C ATOM 682 C ILE A 82 12.575 38.460 30.885 1.00 15.00 C ATOM 683 O ILE A 82 11.604 38.188 31.591 1.00 15.00 O ATOM 684 CB ILE A 82 13.589 36.500 29.698 1.00 15.00 C ATOM 685 CG1 ILE A 82 14.776 35.532 29.676 1.00 15.00 C ATOM 686 CG2 ILE A 82 13.508 37.219 28.348 1.00 15.00 C ATOM 687 CD1 ILE A 82 14.508 34.411 28.670 1.00 15.00 C ATOM 0 H ILE A 82 13.173 36.210 32.340 1.00 15.00 H new ATOM 0 HA ILE A 82 14.678 38.108 30.620 1.00 15.00 H new ATOM 0 HB ILE A 82 12.666 35.949 29.875 1.00 15.00 H new ATOM 0 HG12 ILE A 82 15.688 36.065 29.407 1.00 15.00 H new ATOM 0 HG13 ILE A 82 14.934 35.112 30.669 1.00 15.00 H new ATOM 0 HG21 ILE A 82 13.372 36.486 27.553 1.00 15.00 H new ATOM 0 HG22 ILE A 82 12.664 37.909 28.353 1.00 15.00 H new ATOM 0 HG23 ILE A 82 14.430 37.775 28.176 1.00 15.00 H new ATOM 0 HD11 ILE A 82 15.354 33.724 28.657 1.00 15.00 H new ATOM 0 HD12 ILE A 82 13.607 33.871 28.959 1.00 15.00 H new ATOM 0 HD13 ILE A 82 14.372 34.838 27.677 1.00 15.00 H new ATOM 699 N ASN A 83 12.646 39.567 30.153 1.00 15.00 N ATOM 700 CA ASN A 83 11.562 40.542 30.158 1.00 15.00 C ATOM 701 C ASN A 83 10.449 40.120 29.203 1.00 15.00 C ATOM 702 O ASN A 83 10.705 39.679 28.082 1.00 15.00 O ATOM 703 CB ASN A 83 12.094 41.916 29.747 1.00 15.00 C ATOM 704 CG ASN A 83 13.189 42.360 30.711 1.00 15.00 C ATOM 705 OD1 ASN A 83 14.247 42.820 30.281 1.00 15.00 O ATOM 706 ND2 ASN A 83 12.998 42.248 31.997 1.00 15.00 N ATOM 0 H ASN A 83 13.435 39.810 29.554 1.00 15.00 H new ATOM 0 HA ASN A 83 11.155 40.595 31.168 1.00 15.00 H new ATOM 0 HB2 ASN A 83 12.487 41.874 28.731 1.00 15.00 H new ATOM 0 HB3 ASN A 83 11.283 42.644 29.745 1.00 15.00 H new ATOM 0 HD21 ASN A 83 13.726 42.542 32.648 1.00 15.00 H new ATOM 0 HD22 ASN A 83 12.121 41.867 32.351 1.00 15.00 H new ATOM 713 N LEU A 84 9.205 40.272 29.649 1.00 15.00 N ATOM 714 CA LEU A 84 8.061 39.902 28.822 1.00 15.00 C ATOM 715 C LEU A 84 8.092 40.647 27.489 1.00 15.00 C ATOM 716 O LEU A 84 7.761 40.079 26.448 1.00 15.00 O ATOM 717 CB LEU A 84 6.755 40.218 29.557 1.00 15.00 C ATOM 718 CG LEU A 84 6.700 39.455 30.884 1.00 15.00 C ATOM 719 CD1 LEU A 84 5.441 39.861 31.654 1.00 15.00 C ATOM 720 CD2 LEU A 84 6.656 37.949 30.612 1.00 15.00 C ATOM 0 H LEU A 84 8.965 40.644 30.568 1.00 15.00 H new ATOM 0 HA LEU A 84 8.116 38.831 28.626 1.00 15.00 H new ATOM 0 HB2 LEU A 84 6.683 41.290 29.742 1.00 15.00 H new ATOM 0 HB3 LEU A 84 5.903 39.943 28.935 1.00 15.00 H new ATOM 0 HG LEU A 84 7.586 39.694 31.472 1.00 15.00 H new ATOM 0 HD11 LEU A 84 5.401 39.318 32.598 1.00 15.00 H new ATOM 0 HD12 LEU A 84 5.465 40.933 31.852 1.00 15.00 H new ATOM 0 HD13 LEU A 84 4.559 39.622 31.061 1.00 15.00 H new ATOM 0 HD21 LEU A 84 6.617 37.409 31.558 1.00 15.00 H new ATOM 0 HD22 LEU A 84 5.771 37.712 30.022 1.00 15.00 H new ATOM 0 HD23 LEU A 84 7.549 37.652 30.062 1.00 15.00 H new ATOM 732 N SER A 85 8.513 41.909 27.516 1.00 15.00 N ATOM 733 CA SER A 85 8.573 42.705 26.296 1.00 15.00 C ATOM 734 C SER A 85 9.490 42.040 25.274 1.00 15.00 C ATOM 735 O SER A 85 9.160 41.952 24.092 1.00 15.00 O ATOM 736 CB SER A 85 9.089 44.109 26.613 1.00 15.00 C ATOM 737 OG SER A 85 8.958 44.926 25.457 1.00 15.00 O ATOM 0 H SER A 85 8.814 42.397 28.360 1.00 15.00 H new ATOM 0 HA SER A 85 7.569 42.776 25.877 1.00 15.00 H new ATOM 0 HB2 SER A 85 8.526 44.538 27.442 1.00 15.00 H new ATOM 0 HB3 SER A 85 10.132 44.064 26.925 1.00 15.00 H new ATOM 0 HG SER A 85 9.286 45.828 25.655 1.00 15.00 H new ATOM 743 N THR A 86 10.633 41.547 25.742 1.00 15.00 N ATOM 744 CA THR A 86 11.593 40.903 24.850 1.00 15.00 C ATOM 745 C THR A 86 10.977 39.670 24.194 1.00 15.00 C ATOM 746 O THR A 86 11.089 39.473 22.983 1.00 15.00 O ATOM 747 CB THR A 86 12.842 40.497 25.636 1.00 15.00 C ATOM 748 OG1 THR A 86 13.353 41.629 26.326 1.00 15.00 O ATOM 749 CG2 THR A 86 13.904 39.963 24.673 1.00 15.00 C ATOM 0 H THR A 86 10.915 41.580 26.722 1.00 15.00 H new ATOM 0 HA THR A 86 11.868 41.613 24.070 1.00 15.00 H new ATOM 0 HB THR A 86 12.582 39.719 26.354 1.00 15.00 H new ATOM 0 HG1 THR A 86 14.152 41.371 26.831 1.00 15.00 H new ATOM 0 HG21 THR A 86 14.792 39.675 25.235 1.00 15.00 H new ATOM 0 HG22 THR A 86 13.512 39.095 24.144 1.00 15.00 H new ATOM 0 HG23 THR A 86 14.166 40.739 23.953 1.00 15.00 H new ATOM 757 N ILE A 87 10.291 38.859 24.993 1.00 15.00 N ATOM 758 CA ILE A 87 9.693 37.628 24.482 1.00 15.00 C ATOM 759 C ILE A 87 8.728 37.951 23.344 1.00 15.00 C ATOM 760 O ILE A 87 8.741 37.300 22.301 1.00 15.00 O ATOM 761 CB ILE A 87 8.950 36.891 25.604 1.00 15.00 C ATOM 762 CG1 ILE A 87 9.916 36.603 26.758 1.00 15.00 C ATOM 763 CG2 ILE A 87 8.397 35.562 25.079 1.00 15.00 C ATOM 764 CD1 ILE A 87 9.143 36.025 27.946 1.00 15.00 C ATOM 0 H ILE A 87 10.136 39.028 25.987 1.00 15.00 H new ATOM 0 HA ILE A 87 10.487 36.983 24.105 1.00 15.00 H new ATOM 0 HB ILE A 87 8.129 37.517 25.953 1.00 15.00 H new ATOM 0 HG12 ILE A 87 10.684 35.900 26.435 1.00 15.00 H new ATOM 0 HG13 ILE A 87 10.426 37.519 27.055 1.00 15.00 H new ATOM 0 HG21 ILE A 87 7.871 35.045 25.881 1.00 15.00 H new ATOM 0 HG22 ILE A 87 7.707 35.754 24.257 1.00 15.00 H new ATOM 0 HG23 ILE A 87 9.219 34.940 24.724 1.00 15.00 H new ATOM 0 HD11 ILE A 87 9.833 35.821 28.765 1.00 15.00 H new ATOM 0 HD12 ILE A 87 8.391 36.743 28.275 1.00 15.00 H new ATOM 0 HD13 ILE A 87 8.653 35.099 27.645 1.00 15.00 H new ATOM 776 N TRP A 88 7.905 38.972 23.549 1.00 15.00 N ATOM 777 CA TRP A 88 6.937 39.371 22.534 1.00 15.00 C ATOM 778 C TRP A 88 7.628 39.763 21.231 1.00 15.00 C ATOM 779 O TRP A 88 7.259 39.289 20.159 1.00 15.00 O ATOM 780 CB TRP A 88 6.106 40.551 23.040 1.00 15.00 C ATOM 781 CG TRP A 88 5.008 40.942 22.103 1.00 15.00 C ATOM 782 CD1 TRP A 88 3.785 40.367 22.058 1.00 15.00 C ATOM 783 CD2 TRP A 88 5.013 41.978 21.078 1.00 15.00 C ATOM 784 NE1 TRP A 88 3.037 40.984 21.072 1.00 15.00 N ATOM 785 CE2 TRP A 88 3.749 41.983 20.439 1.00 15.00 C ATOM 786 CE3 TRP A 88 5.978 42.903 20.645 1.00 15.00 C ATOM 787 CZ2 TRP A 88 3.456 42.877 19.406 1.00 15.00 C ATOM 788 CZ3 TRP A 88 5.687 43.802 19.608 1.00 15.00 C ATOM 789 CH2 TRP A 88 4.430 43.790 18.989 1.00 15.00 C ATOM 0 H TRP A 88 7.887 39.534 24.400 1.00 15.00 H new ATOM 0 HA TRP A 88 6.288 38.517 22.338 1.00 15.00 H new ATOM 0 HB2 TRP A 88 5.675 40.295 24.008 1.00 15.00 H new ATOM 0 HB3 TRP A 88 6.762 41.407 23.199 1.00 15.00 H new ATOM 0 HD1 TRP A 88 3.447 39.558 22.689 1.00 15.00 H new ATOM 0 HE1 TRP A 88 2.076 40.732 20.841 1.00 15.00 H new ATOM 0 HE3 TRP A 88 6.951 42.922 21.114 1.00 15.00 H new ATOM 0 HZ2 TRP A 88 2.485 42.863 18.933 1.00 15.00 H new ATOM 0 HZ3 TRP A 88 6.437 44.508 19.285 1.00 15.00 H new ATOM 0 HH2 TRP A 88 4.214 44.485 18.191 1.00 15.00 H new ATOM 800 N SER A 89 8.659 40.597 21.327 1.00 15.00 N ATOM 801 CA SER A 89 9.335 41.097 20.134 1.00 15.00 C ATOM 802 C SER A 89 9.819 39.951 19.248 1.00 15.00 C ATOM 803 O SER A 89 9.744 40.035 18.022 1.00 15.00 O ATOM 804 CB SER A 89 10.526 41.965 20.538 1.00 15.00 C ATOM 805 OG SER A 89 11.518 41.146 21.141 1.00 15.00 O ATOM 0 H SER A 89 9.042 40.938 22.209 1.00 15.00 H new ATOM 0 HA SER A 89 8.619 41.691 19.566 1.00 15.00 H new ATOM 0 HB2 SER A 89 10.937 42.470 19.664 1.00 15.00 H new ATOM 0 HB3 SER A 89 10.206 42.741 21.233 1.00 15.00 H new ATOM 0 HG SER A 89 11.178 40.792 21.989 1.00 15.00 H new ATOM 811 N LEU A 90 10.313 38.884 19.868 1.00 15.00 N ATOM 812 CA LEU A 90 10.804 37.737 19.110 1.00 15.00 C ATOM 813 C LEU A 90 9.659 36.936 18.490 1.00 15.00 C ATOM 814 O LEU A 90 9.633 36.709 17.280 1.00 15.00 O ATOM 815 CB LEU A 90 11.619 36.824 20.029 1.00 15.00 C ATOM 816 CG LEU A 90 12.794 37.605 20.624 1.00 15.00 C ATOM 817 CD1 LEU A 90 13.513 36.736 21.658 1.00 15.00 C ATOM 818 CD2 LEU A 90 13.775 37.979 19.511 1.00 15.00 C ATOM 0 H LEU A 90 10.384 38.789 20.881 1.00 15.00 H new ATOM 0 HA LEU A 90 11.430 38.116 18.302 1.00 15.00 H new ATOM 0 HB2 LEU A 90 10.986 36.437 20.827 1.00 15.00 H new ATOM 0 HB3 LEU A 90 11.988 35.964 19.469 1.00 15.00 H new ATOM 0 HG LEU A 90 12.421 38.511 21.102 1.00 15.00 H new ATOM 0 HD11 LEU A 90 14.350 37.292 22.082 1.00 15.00 H new ATOM 0 HD12 LEU A 90 12.818 36.465 22.452 1.00 15.00 H new ATOM 0 HD13 LEU A 90 13.885 35.831 21.177 1.00 15.00 H new ATOM 0 HD21 LEU A 90 14.611 38.535 19.935 1.00 15.00 H new ATOM 0 HD22 LEU A 90 14.147 37.072 19.034 1.00 15.00 H new ATOM 0 HD23 LEU A 90 13.267 38.597 18.770 1.00 15.00 H new ATOM 830 N ASN A 91 8.695 36.538 19.315 1.00 15.00 N ATOM 831 CA ASN A 91 7.616 35.663 18.852 1.00 15.00 C ATOM 832 C ASN A 91 6.425 36.420 18.250 1.00 15.00 C ATOM 833 O ASN A 91 5.402 35.809 17.939 1.00 15.00 O ATOM 834 CB ASN A 91 7.128 34.797 20.015 1.00 15.00 C ATOM 835 CG ASN A 91 8.243 33.858 20.463 1.00 15.00 C ATOM 836 OD1 ASN A 91 8.128 32.641 20.322 1.00 15.00 O ATOM 837 ND2 ASN A 91 9.326 34.351 20.996 1.00 15.00 N ATOM 0 H ASN A 91 8.636 36.803 20.298 1.00 15.00 H new ATOM 0 HA ASN A 91 8.034 35.050 18.054 1.00 15.00 H new ATOM 0 HB2 ASN A 91 6.817 35.430 20.846 1.00 15.00 H new ATOM 0 HB3 ASN A 91 6.255 34.220 19.710 1.00 15.00 H new ATOM 0 HD21 ASN A 91 10.076 33.728 21.295 1.00 15.00 H new ATOM 0 HD22 ASN A 91 9.423 35.360 21.114 1.00 15.00 H new ATOM 844 N LYS A 92 6.541 37.736 18.080 1.00 15.00 N ATOM 845 CA LYS A 92 5.471 38.520 17.470 1.00 15.00 C ATOM 846 C LYS A 92 5.015 37.930 16.132 1.00 15.00 C ATOM 847 O LYS A 92 3.855 38.083 15.751 1.00 15.00 O ATOM 848 CB LYS A 92 5.930 39.976 17.302 1.00 15.00 C ATOM 849 CG LYS A 92 7.047 40.083 16.256 1.00 15.00 C ATOM 850 CD LYS A 92 7.565 41.522 16.207 1.00 15.00 C ATOM 851 CE LYS A 92 8.446 41.706 14.970 1.00 15.00 C ATOM 852 NZ LYS A 92 9.739 40.994 15.171 1.00 15.00 N ATOM 0 H LYS A 92 7.360 38.278 18.354 1.00 15.00 H new ATOM 0 HA LYS A 92 4.608 38.490 18.135 1.00 15.00 H new ATOM 0 HB2 LYS A 92 5.085 40.595 17.001 1.00 15.00 H new ATOM 0 HB3 LYS A 92 6.284 40.362 18.258 1.00 15.00 H new ATOM 0 HG2 LYS A 92 7.860 39.401 16.506 1.00 15.00 H new ATOM 0 HG3 LYS A 92 6.672 39.787 15.276 1.00 15.00 H new ATOM 0 HD2 LYS A 92 6.728 42.220 16.178 1.00 15.00 H new ATOM 0 HD3 LYS A 92 8.135 41.745 17.109 1.00 15.00 H new ATOM 0 HE2 LYS A 92 7.938 41.317 14.087 1.00 15.00 H new ATOM 0 HE3 LYS A 92 8.626 42.766 14.793 1.00 15.00 H new ATOM 0 HZ1 LYS A 92 10.527 41.650 14.999 1.00 15.00 H new ATOM 0 HZ2 LYS A 92 9.791 40.638 16.147 1.00 15.00 H new ATOM 0 HZ3 LYS A 92 9.802 40.196 14.508 1.00 15.00 H new ATOM 866 N HIS A 93 5.927 37.274 15.415 1.00 15.00 N ATOM 867 CA HIS A 93 5.577 36.676 14.131 1.00 15.00 C ATOM 868 C HIS A 93 4.761 35.395 14.319 1.00 15.00 C ATOM 869 O HIS A 93 3.858 35.108 13.533 1.00 15.00 O ATOM 870 CB HIS A 93 6.844 36.405 13.306 1.00 15.00 C ATOM 871 CG HIS A 93 7.671 35.228 13.760 1.00 15.00 C ATOM 872 ND1 HIS A 93 8.598 35.312 14.788 1.00 15.00 N ATOM 873 CD2 HIS A 93 7.733 33.932 13.308 1.00 15.00 C ATOM 874 CE1 HIS A 93 9.173 34.104 14.916 1.00 15.00 C ATOM 875 NE2 HIS A 93 8.684 33.224 14.039 1.00 15.00 N ATOM 0 H HIS A 93 6.899 37.145 15.697 1.00 15.00 H new ATOM 0 HA HIS A 93 4.954 37.384 13.585 1.00 15.00 H new ATOM 0 HB2 HIS A 93 6.554 36.245 12.268 1.00 15.00 H new ATOM 0 HB3 HIS A 93 7.470 37.297 13.328 1.00 15.00 H new ATOM 0 HD1 HIS A 93 8.806 36.140 15.346 1.00 15.00 H new ATOM 0 HD2 HIS A 93 7.135 33.524 12.507 1.00 15.00 H new ATOM 0 HE1 HIS A 93 9.939 33.873 15.641 1.00 15.00 H new ATOM 883 N LEU A 94 5.080 34.628 15.360 1.00 15.00 N ATOM 884 CA LEU A 94 4.381 33.371 15.613 1.00 15.00 C ATOM 885 C LEU A 94 2.923 33.613 15.994 1.00 15.00 C ATOM 886 O LEU A 94 2.030 32.894 15.546 1.00 15.00 O ATOM 887 CB LEU A 94 5.072 32.602 16.743 1.00 15.00 C ATOM 888 CG LEU A 94 6.535 32.339 16.380 1.00 15.00 C ATOM 889 CD1 LEU A 94 7.237 31.662 17.560 1.00 15.00 C ATOM 890 CD2 LEU A 94 6.610 31.420 15.157 1.00 15.00 C ATOM 0 H LEU A 94 5.811 34.852 16.035 1.00 15.00 H new ATOM 0 HA LEU A 94 4.410 32.787 14.693 1.00 15.00 H new ATOM 0 HB2 LEU A 94 5.016 33.173 17.670 1.00 15.00 H new ATOM 0 HB3 LEU A 94 4.557 31.658 16.919 1.00 15.00 H new ATOM 0 HG LEU A 94 7.023 33.286 16.152 1.00 15.00 H new ATOM 0 HD11 LEU A 94 8.280 31.474 17.304 1.00 15.00 H new ATOM 0 HD12 LEU A 94 7.190 32.313 18.433 1.00 15.00 H new ATOM 0 HD13 LEU A 94 6.742 30.717 17.784 1.00 15.00 H new ATOM 0 HD21 LEU A 94 7.654 31.236 14.903 1.00 15.00 H new ATOM 0 HD22 LEU A 94 6.119 30.473 15.383 1.00 15.00 H new ATOM 0 HD23 LEU A 94 6.110 31.896 14.313 1.00 15.00 H new ATOM 902 N TYR A 95 2.686 34.627 16.822 1.00 15.00 N ATOM 903 CA TYR A 95 1.332 34.932 17.284 1.00 15.00 C ATOM 904 C TYR A 95 0.848 36.261 16.714 1.00 15.00 C ATOM 905 O TYR A 95 1.634 37.182 16.497 1.00 15.00 O ATOM 906 CB TYR A 95 1.310 34.989 18.812 1.00 15.00 C ATOM 907 CG TYR A 95 1.696 33.681 19.463 1.00 15.00 C ATOM 908 CD1 TYR A 95 0.746 32.661 19.597 1.00 15.00 C ATOM 909 CD2 TYR A 95 3.001 33.487 19.931 1.00 15.00 C ATOM 910 CE1 TYR A 95 1.101 31.448 20.198 1.00 15.00 C ATOM 911 CE2 TYR A 95 3.356 32.273 20.534 1.00 15.00 C ATOM 912 CZ TYR A 95 2.406 31.254 20.667 1.00 15.00 C ATOM 913 OH TYR A 95 2.751 30.058 21.264 1.00 15.00 O ATOM 0 H TYR A 95 3.408 35.249 17.186 1.00 15.00 H new ATOM 0 HA TYR A 95 0.664 34.144 16.936 1.00 15.00 H new ATOM 0 HB2 TYR A 95 1.991 35.770 19.150 1.00 15.00 H new ATOM 0 HB3 TYR A 95 0.311 35.272 19.144 1.00 15.00 H new ATOM 0 HD1 TYR A 95 -0.261 32.810 19.236 1.00 15.00 H new ATOM 0 HD2 TYR A 95 3.734 34.273 19.827 1.00 15.00 H new ATOM 0 HE1 TYR A 95 0.368 30.661 20.300 1.00 15.00 H new ATOM 0 HE2 TYR A 95 4.363 32.124 20.896 1.00 15.00 H new ATOM 0 HH TYR A 95 3.543 29.688 20.821 1.00 15.00 H new ATOM 923 N SER A 96 -0.458 36.351 16.480 1.00 15.00 N ATOM 924 CA SER A 96 -1.039 37.537 15.860 1.00 15.00 C ATOM 925 C SER A 96 -1.039 38.729 16.813 1.00 15.00 C ATOM 926 O SER A 96 -0.763 39.857 16.402 1.00 15.00 O ATOM 927 CB SER A 96 -2.473 37.239 15.421 1.00 15.00 C ATOM 928 OG SER A 96 -2.474 36.100 14.572 1.00 15.00 O ATOM 0 H SER A 96 -1.131 35.620 16.709 1.00 15.00 H new ATOM 0 HA SER A 96 -0.427 37.794 14.995 1.00 15.00 H new ATOM 0 HB2 SER A 96 -3.103 37.059 16.292 1.00 15.00 H new ATOM 0 HB3 SER A 96 -2.892 38.098 14.897 1.00 15.00 H new ATOM 0 HG SER A 96 -3.392 35.904 14.289 1.00 15.00 H new ATOM 934 N SER A 97 -1.346 38.479 18.083 1.00 15.00 N ATOM 935 CA SER A 97 -1.467 39.565 19.050 1.00 15.00 C ATOM 936 C SER A 97 -1.118 39.098 20.460 1.00 15.00 C ATOM 937 O SER A 97 -0.962 37.903 20.712 1.00 15.00 O ATOM 938 CB SER A 97 -2.894 40.116 19.036 1.00 15.00 C ATOM 939 OG SER A 97 -3.773 39.150 19.595 1.00 15.00 O ATOM 0 H SER A 97 -1.513 37.547 18.463 1.00 15.00 H new ATOM 0 HA SER A 97 -0.763 40.347 18.764 1.00 15.00 H new ATOM 0 HB2 SER A 97 -2.944 41.044 19.606 1.00 15.00 H new ATOM 0 HB3 SER A 97 -3.195 40.352 18.015 1.00 15.00 H new ATOM 0 HG SER A 97 -4.689 39.499 19.590 1.00 15.00 H new ATOM 945 N GLU A 98 -0.999 40.058 21.373 1.00 15.00 N ATOM 946 CA GLU A 98 -0.664 39.756 22.761 1.00 15.00 C ATOM 947 C GLU A 98 -1.731 38.879 23.416 1.00 15.00 C ATOM 948 O GLU A 98 -1.417 38.022 24.241 1.00 15.00 O ATOM 949 CB GLU A 98 -0.531 41.057 23.555 1.00 15.00 C ATOM 950 CG GLU A 98 0.631 41.886 22.996 1.00 15.00 C ATOM 951 CD GLU A 98 0.860 43.165 23.809 1.00 15.00 C ATOM 952 OE1 GLU A 98 0.032 43.499 24.644 1.00 15.00 O ATOM 953 OE2 GLU A 98 1.876 43.801 23.579 1.00 15.00 O ATOM 0 H GLU A 98 -1.129 41.050 21.177 1.00 15.00 H new ATOM 0 HA GLU A 98 0.281 39.213 22.765 1.00 15.00 H new ATOM 0 HB2 GLU A 98 -1.458 41.627 23.496 1.00 15.00 H new ATOM 0 HB3 GLU A 98 -0.359 40.836 24.608 1.00 15.00 H new ATOM 0 HG2 GLU A 98 1.541 41.285 22.999 1.00 15.00 H new ATOM 0 HG3 GLU A 98 0.425 42.147 21.958 1.00 15.00 H new ATOM 960 N SER A 99 -2.992 39.092 23.048 1.00 15.00 N ATOM 961 CA SER A 99 -4.089 38.348 23.659 1.00 15.00 C ATOM 962 C SER A 99 -3.879 36.845 23.503 1.00 15.00 C ATOM 963 O SER A 99 -4.053 36.082 24.454 1.00 15.00 O ATOM 964 CB SER A 99 -5.415 38.748 23.013 1.00 15.00 C ATOM 965 OG SER A 99 -6.485 38.163 23.742 1.00 15.00 O ATOM 0 H SER A 99 -3.277 39.766 22.338 1.00 15.00 H new ATOM 0 HA SER A 99 -4.113 38.589 24.722 1.00 15.00 H new ATOM 0 HB2 SER A 99 -5.516 39.833 23.004 1.00 15.00 H new ATOM 0 HB3 SER A 99 -5.442 38.416 21.975 1.00 15.00 H new ATOM 0 HG SER A 99 -7.338 38.418 23.332 1.00 15.00 H new ATOM 971 N GLU A 100 -3.467 36.427 22.312 1.00 15.00 N ATOM 972 CA GLU A 100 -3.250 35.009 22.049 1.00 15.00 C ATOM 973 C GLU A 100 -2.157 34.435 22.949 1.00 15.00 C ATOM 974 O GLU A 100 -2.234 33.275 23.357 1.00 15.00 O ATOM 975 CB GLU A 100 -2.889 34.800 20.576 1.00 15.00 C ATOM 976 CG GLU A 100 -4.098 35.172 19.709 1.00 15.00 C ATOM 977 CD GLU A 100 -3.831 34.916 18.223 1.00 15.00 C ATOM 978 OE1 GLU A 100 -2.682 34.743 17.846 1.00 15.00 O ATOM 979 OE2 GLU A 100 -4.791 34.928 17.470 1.00 15.00 O ATOM 0 H GLU A 100 -3.278 37.042 21.520 1.00 15.00 H new ATOM 0 HA GLU A 100 -4.176 34.478 22.271 1.00 15.00 H new ATOM 0 HB2 GLU A 100 -2.030 35.415 20.308 1.00 15.00 H new ATOM 0 HB3 GLU A 100 -2.605 33.762 20.401 1.00 15.00 H new ATOM 0 HG2 GLU A 100 -4.966 34.594 20.027 1.00 15.00 H new ATOM 0 HG3 GLU A 100 -4.343 36.223 19.859 1.00 15.00 H new ATOM 986 N MET A 101 -1.142 35.239 23.259 1.00 15.00 N ATOM 987 CA MET A 101 -0.061 34.782 24.127 1.00 15.00 C ATOM 988 C MET A 101 -0.578 34.514 25.538 1.00 15.00 C ATOM 989 O MET A 101 -0.384 33.429 26.085 1.00 15.00 O ATOM 990 CB MET A 101 1.047 35.836 24.186 1.00 15.00 C ATOM 991 CG MET A 101 1.690 35.987 22.806 1.00 15.00 C ATOM 992 SD MET A 101 3.132 37.077 22.928 1.00 15.00 S ATOM 993 CE MET A 101 4.229 35.924 23.792 1.00 15.00 C ATOM 0 H MET A 101 -1.046 36.198 22.926 1.00 15.00 H new ATOM 0 HA MET A 101 0.337 33.855 23.714 1.00 15.00 H new ATOM 0 HB2 MET A 101 0.636 36.791 24.513 1.00 15.00 H new ATOM 0 HB3 MET A 101 1.800 35.545 24.919 1.00 15.00 H new ATOM 0 HG2 MET A 101 1.990 35.011 22.424 1.00 15.00 H new ATOM 0 HG3 MET A 101 0.969 36.398 22.100 1.00 15.00 H new ATOM 0 HE1 MET A 101 5.254 36.073 23.452 1.00 15.00 H new ATOM 0 HE2 MET A 101 4.173 36.104 24.866 1.00 15.00 H new ATOM 0 HE3 MET A 101 3.921 34.900 23.579 1.00 15.00 H new ATOM 1003 N MET A 102 -1.293 35.482 26.100 1.00 15.00 N ATOM 1004 CA MET A 102 -1.790 35.355 27.467 1.00 15.00 C ATOM 1005 C MET A 102 -2.725 34.156 27.615 1.00 15.00 C ATOM 1006 O MET A 102 -2.720 33.480 28.644 1.00 15.00 O ATOM 1007 CB MET A 102 -2.526 36.632 27.877 1.00 15.00 C ATOM 1008 CG MET A 102 -1.533 37.796 27.932 1.00 15.00 C ATOM 1009 SD MET A 102 -2.338 39.255 28.641 1.00 15.00 S ATOM 1010 CE MET A 102 -3.643 39.433 27.400 1.00 15.00 C ATOM 0 H MET A 102 -1.540 36.356 25.636 1.00 15.00 H new ATOM 0 HA MET A 102 -0.931 35.199 28.119 1.00 15.00 H new ATOM 0 HB2 MET A 102 -3.321 36.851 27.164 1.00 15.00 H new ATOM 0 HB3 MET A 102 -2.998 36.496 28.850 1.00 15.00 H new ATOM 0 HG2 MET A 102 -0.667 37.519 28.533 1.00 15.00 H new ATOM 0 HG3 MET A 102 -1.167 38.022 26.930 1.00 15.00 H new ATOM 0 HE1 MET A 102 -4.085 40.426 27.477 1.00 15.00 H new ATOM 0 HE2 MET A 102 -3.219 39.300 26.405 1.00 15.00 H new ATOM 0 HE3 MET A 102 -4.412 38.680 27.570 1.00 15.00 H new ATOM 1020 N LYS A 103 -3.524 33.896 26.586 1.00 15.00 N ATOM 1021 CA LYS A 103 -4.487 32.796 26.629 1.00 15.00 C ATOM 1022 C LYS A 103 -3.920 31.488 26.063 1.00 15.00 C ATOM 1023 O LYS A 103 -4.683 30.572 25.757 1.00 15.00 O ATOM 1024 CB LYS A 103 -5.737 33.182 25.836 1.00 15.00 C ATOM 1025 CG LYS A 103 -6.358 34.446 26.436 1.00 15.00 C ATOM 1026 CD LYS A 103 -7.736 34.692 25.817 1.00 15.00 C ATOM 1027 CE LYS A 103 -7.589 34.986 24.322 1.00 15.00 C ATOM 1028 NZ LYS A 103 -8.754 35.792 23.857 1.00 15.00 N ATOM 0 H LYS A 103 -3.526 34.427 25.715 1.00 15.00 H new ATOM 0 HA LYS A 103 -4.728 32.623 27.678 1.00 15.00 H new ATOM 0 HB2 LYS A 103 -5.478 33.353 24.791 1.00 15.00 H new ATOM 0 HB3 LYS A 103 -6.459 32.366 25.856 1.00 15.00 H new ATOM 0 HG2 LYS A 103 -6.449 34.340 27.517 1.00 15.00 H new ATOM 0 HG3 LYS A 103 -5.709 35.303 26.253 1.00 15.00 H new ATOM 0 HD2 LYS A 103 -8.372 33.819 25.964 1.00 15.00 H new ATOM 0 HD3 LYS A 103 -8.224 35.530 26.315 1.00 15.00 H new ATOM 0 HE2 LYS A 103 -6.661 35.527 24.136 1.00 15.00 H new ATOM 0 HE3 LYS A 103 -7.531 34.053 23.761 1.00 15.00 H new ATOM 0 HZ1 LYS A 103 -8.655 35.992 22.841 1.00 15.00 H new ATOM 0 HZ2 LYS A 103 -9.632 35.259 24.021 1.00 15.00 H new ATOM 0 HZ3 LYS A 103 -8.789 36.688 24.384 1.00 15.00 H new ATOM 1042 N ALA A 104 -2.597 31.388 25.919 1.00 15.00 N ATOM 1043 CA ALA A 104 -1.981 30.182 25.374 1.00 15.00 C ATOM 1044 C ALA A 104 -2.420 28.941 26.148 1.00 15.00 C ATOM 1045 O ALA A 104 -2.623 28.990 27.361 1.00 15.00 O ATOM 1046 CB ALA A 104 -0.458 30.305 25.431 1.00 15.00 C ATOM 0 H ALA A 104 -1.937 32.124 26.171 1.00 15.00 H new ATOM 0 HA ALA A 104 -2.304 30.076 24.339 1.00 15.00 H new ATOM 0 HB1 ALA A 104 -0.004 29.402 25.023 1.00 15.00 H new ATOM 0 HB2 ALA A 104 -0.140 31.167 24.845 1.00 15.00 H new ATOM 0 HB3 ALA A 104 -0.142 30.434 26.466 1.00 15.00 H new ATOM 1052 N ALA A 105 -2.561 27.831 25.430 1.00 15.00 N ATOM 1053 CA ALA A 105 -2.995 26.574 26.032 1.00 15.00 C ATOM 1054 C ALA A 105 -1.987 25.459 25.739 1.00 15.00 C ATOM 1055 O ALA A 105 -1.088 25.647 24.918 1.00 15.00 O ATOM 1056 CB ALA A 105 -4.366 26.180 25.479 1.00 15.00 C ATOM 0 H ALA A 105 -2.381 27.776 24.428 1.00 15.00 H new ATOM 0 HA ALA A 105 -3.061 26.713 27.111 1.00 15.00 H new ATOM 0 HB1 ALA A 105 -4.685 25.241 25.932 1.00 15.00 H new ATOM 0 HB2 ALA A 105 -5.090 26.960 25.713 1.00 15.00 H new ATOM 0 HB3 ALA A 105 -4.301 26.058 24.398 1.00 15.00 H new ATOM 1062 N PRO A 106 -2.105 24.313 26.378 1.00 15.00 N ATOM 1063 CA PRO A 106 -1.141 23.191 26.154 1.00 15.00 C ATOM 1064 C PRO A 106 -1.075 22.761 24.690 1.00 15.00 C ATOM 1065 O PRO A 106 -2.076 22.805 23.975 1.00 15.00 O ATOM 1066 CB PRO A 106 -1.662 22.047 27.033 1.00 15.00 C ATOM 1067 CG PRO A 106 -2.550 22.689 28.042 1.00 15.00 C ATOM 1068 CD PRO A 106 -3.133 23.928 27.368 1.00 15.00 C ATOM 0 HA PRO A 106 -0.124 23.491 26.409 1.00 15.00 H new ATOM 0 HB2 PRO A 106 -2.209 21.314 26.439 1.00 15.00 H new ATOM 0 HB3 PRO A 106 -0.840 21.517 27.515 1.00 15.00 H new ATOM 0 HG2 PRO A 106 -3.341 22.007 28.355 1.00 15.00 H new ATOM 0 HG3 PRO A 106 -1.990 22.960 28.937 1.00 15.00 H new ATOM 0 HD2 PRO A 106 -4.087 23.710 26.888 1.00 15.00 H new ATOM 0 HD3 PRO A 106 -3.313 24.727 28.088 1.00 15.00 H new ATOM 1076 N GLY A 107 0.111 22.346 24.254 1.00 15.00 N ATOM 1077 CA GLY A 107 0.291 21.860 22.887 1.00 15.00 C ATOM 1078 C GLY A 107 0.971 22.880 21.968 1.00 15.00 C ATOM 1079 O GLY A 107 1.472 22.508 20.906 1.00 15.00 O ATOM 0 H GLY A 107 0.958 22.336 24.822 1.00 15.00 H new ATOM 0 HA2 GLY A 107 0.886 20.947 22.908 1.00 15.00 H new ATOM 0 HA3 GLY A 107 -0.682 21.597 22.471 1.00 15.00 H new ATOM 1083 N GLN A 108 0.995 24.155 22.360 1.00 15.00 N ATOM 1084 CA GLN A 108 1.613 25.184 21.529 1.00 15.00 C ATOM 1085 C GLN A 108 3.107 25.285 21.817 1.00 15.00 C ATOM 1086 O GLN A 108 3.569 24.887 22.886 1.00 15.00 O ATOM 1087 CB GLN A 108 0.935 26.535 21.759 1.00 15.00 C ATOM 1088 CG GLN A 108 -0.507 26.463 21.254 1.00 15.00 C ATOM 1089 CD GLN A 108 -1.187 27.818 21.412 1.00 15.00 C ATOM 1090 OE1 GLN A 108 -1.682 28.138 22.491 1.00 15.00 O ATOM 1091 NE2 GLN A 108 -1.240 28.636 20.396 1.00 15.00 N ATOM 0 H GLN A 108 0.599 24.495 23.236 1.00 15.00 H new ATOM 0 HA GLN A 108 1.483 24.902 20.484 1.00 15.00 H new ATOM 0 HB2 GLN A 108 0.950 26.788 22.819 1.00 15.00 H new ATOM 0 HB3 GLN A 108 1.478 27.322 21.236 1.00 15.00 H new ATOM 0 HG2 GLN A 108 -0.519 26.162 20.207 1.00 15.00 H new ATOM 0 HG3 GLN A 108 -1.058 25.704 21.810 1.00 15.00 H new ATOM 0 HE21 GLN A 108 -0.828 28.367 19.503 1.00 15.00 H new ATOM 0 HE22 GLN A 108 -1.693 29.544 20.496 1.00 15.00 H new ATOM 1100 N GLN A 109 3.861 25.803 20.852 1.00 15.00 N ATOM 1101 CA GLN A 109 5.313 25.896 20.987 1.00 15.00 C ATOM 1102 C GLN A 109 5.770 27.350 21.069 1.00 15.00 C ATOM 1103 O GLN A 109 5.119 28.254 20.545 1.00 15.00 O ATOM 1104 CB GLN A 109 5.986 25.221 19.790 1.00 15.00 C ATOM 1105 CG GLN A 109 5.656 23.726 19.792 1.00 15.00 C ATOM 1106 CD GLN A 109 6.245 23.044 18.560 1.00 15.00 C ATOM 1107 OE1 GLN A 109 6.589 23.704 17.578 1.00 15.00 O ATOM 1108 NE2 GLN A 109 6.382 21.746 18.552 1.00 15.00 N ATOM 0 H GLN A 109 3.494 26.164 19.971 1.00 15.00 H new ATOM 0 HA GLN A 109 5.599 25.392 21.910 1.00 15.00 H new ATOM 0 HB2 GLN A 109 5.643 25.678 18.862 1.00 15.00 H new ATOM 0 HB3 GLN A 109 7.065 25.366 19.837 1.00 15.00 H new ATOM 0 HG2 GLN A 109 6.052 23.262 20.695 1.00 15.00 H new ATOM 0 HG3 GLN A 109 4.575 23.587 19.810 1.00 15.00 H new ATOM 0 HE21 GLN A 109 6.098 21.198 19.364 1.00 15.00 H new ATOM 0 HE22 GLN A 109 6.773 21.280 17.734 1.00 15.00 H new ATOM 1117 N ILE A 110 6.874 27.560 21.779 1.00 15.00 N ATOM 1118 CA ILE A 110 7.502 28.874 21.872 1.00 15.00 C ATOM 1119 C ILE A 110 8.957 28.772 21.418 1.00 15.00 C ATOM 1120 O ILE A 110 9.642 27.800 21.735 1.00 15.00 O ATOM 1121 CB ILE A 110 7.427 29.381 23.318 1.00 15.00 C ATOM 1122 CG1 ILE A 110 5.958 29.476 23.741 1.00 15.00 C ATOM 1123 CG2 ILE A 110 8.079 30.764 23.429 1.00 15.00 C ATOM 1124 CD1 ILE A 110 5.862 29.721 25.250 1.00 15.00 C ATOM 0 H ILE A 110 7.356 26.830 22.303 1.00 15.00 H new ATOM 0 HA ILE A 110 6.978 29.580 21.228 1.00 15.00 H new ATOM 0 HB ILE A 110 7.958 28.687 23.969 1.00 15.00 H new ATOM 0 HG12 ILE A 110 5.467 30.286 23.201 1.00 15.00 H new ATOM 0 HG13 ILE A 110 5.436 28.556 23.480 1.00 15.00 H new ATOM 0 HG21 ILE A 110 8.019 31.113 24.460 1.00 15.00 H new ATOM 0 HG22 ILE A 110 9.125 30.699 23.128 1.00 15.00 H new ATOM 0 HG23 ILE A 110 7.557 31.465 22.778 1.00 15.00 H new ATOM 0 HD11 ILE A 110 4.814 29.787 25.542 1.00 15.00 H new ATOM 0 HD12 ILE A 110 6.336 28.897 25.783 1.00 15.00 H new ATOM 0 HD13 ILE A 110 6.368 30.654 25.500 1.00 15.00 H new ATOM 1136 N ILE A 111 9.429 29.781 20.689 1.00 15.00 N ATOM 1137 CA ILE A 111 10.805 29.777 20.194 1.00 15.00 C ATOM 1138 C ILE A 111 11.652 30.775 20.980 1.00 15.00 C ATOM 1139 O ILE A 111 11.255 31.923 21.179 1.00 15.00 O ATOM 1140 CB ILE A 111 10.837 30.132 18.701 1.00 15.00 C ATOM 1141 CG1 ILE A 111 9.940 29.166 17.919 1.00 15.00 C ATOM 1142 CG2 ILE A 111 12.271 30.016 18.174 1.00 15.00 C ATOM 1143 CD1 ILE A 111 9.843 29.619 16.461 1.00 15.00 C ATOM 0 H ILE A 111 8.886 30.604 20.430 1.00 15.00 H new ATOM 0 HA ILE A 111 11.217 28.777 20.329 1.00 15.00 H new ATOM 0 HB ILE A 111 10.478 31.153 18.572 1.00 15.00 H new ATOM 0 HG12 ILE A 111 10.346 28.156 17.970 1.00 15.00 H new ATOM 0 HG13 ILE A 111 8.947 29.133 18.367 1.00 15.00 H new ATOM 0 HG21 ILE A 111 12.291 30.269 17.114 1.00 15.00 H new ATOM 0 HG22 ILE A 111 12.917 30.702 18.722 1.00 15.00 H new ATOM 0 HG23 ILE A 111 12.627 28.995 18.310 1.00 15.00 H new ATOM 0 HD11 ILE A 111 9.205 28.930 15.908 1.00 15.00 H new ATOM 0 HD12 ILE A 111 9.417 30.622 16.419 1.00 15.00 H new ATOM 0 HD13 ILE A 111 10.838 29.628 16.016 1.00 15.00 H new ATOM 1155 N LEU A 112 12.817 30.319 21.428 1.00 15.00 N ATOM 1156 CA LEU A 112 13.751 31.171 22.156 1.00 15.00 C ATOM 1157 C LEU A 112 15.071 31.285 21.386 1.00 15.00 C ATOM 1158 O LEU A 112 15.895 30.370 21.463 1.00 15.00 O ATOM 1159 CB LEU A 112 14.026 30.564 23.533 1.00 15.00 C ATOM 1160 CG LEU A 112 12.728 30.519 24.340 1.00 15.00 C ATOM 1161 CD1 LEU A 112 12.912 29.608 25.555 1.00 15.00 C ATOM 1162 CD2 LEU A 112 12.373 31.931 24.812 1.00 15.00 C ATOM 0 H LEU A 112 13.138 29.360 21.299 1.00 15.00 H new ATOM 0 HA LEU A 112 13.312 32.163 22.267 1.00 15.00 H new ATOM 0 HB2 LEU A 112 14.434 29.559 23.424 1.00 15.00 H new ATOM 0 HB3 LEU A 112 14.774 31.156 24.060 1.00 15.00 H new ATOM 0 HG LEU A 112 11.925 30.131 23.714 1.00 15.00 H new ATOM 0 HD11 LEU A 112 11.986 29.577 26.130 1.00 15.00 H new ATOM 0 HD12 LEU A 112 13.166 28.602 25.220 1.00 15.00 H new ATOM 0 HD13 LEU A 112 13.715 29.995 26.182 1.00 15.00 H new ATOM 0 HD21 LEU A 112 11.448 31.900 25.387 1.00 15.00 H new ATOM 0 HD22 LEU A 112 13.177 32.318 25.438 1.00 15.00 H new ATOM 0 HD23 LEU A 112 12.241 32.581 23.947 1.00 15.00 H new ATOM 1174 N PRO A 113 15.276 32.327 20.606 1.00 15.00 N ATOM 1175 CA PRO A 113 16.580 32.528 19.905 1.00 15.00 C ATOM 1176 C PRO A 113 17.627 33.157 20.821 1.00 15.00 C ATOM 1177 O PRO A 113 17.659 34.374 21.001 1.00 15.00 O ATOM 1178 CB PRO A 113 16.231 33.465 18.749 1.00 15.00 C ATOM 1179 CG PRO A 113 15.072 34.267 19.234 1.00 15.00 C ATOM 1180 CD PRO A 113 14.325 33.401 20.251 1.00 15.00 C ATOM 0 HA PRO A 113 17.019 31.587 19.574 1.00 15.00 H new ATOM 0 HB2 PRO A 113 17.074 34.106 18.493 1.00 15.00 H new ATOM 0 HB3 PRO A 113 15.973 32.904 17.851 1.00 15.00 H new ATOM 0 HG2 PRO A 113 15.411 35.196 19.693 1.00 15.00 H new ATOM 0 HG3 PRO A 113 14.418 34.540 18.406 1.00 15.00 H new ATOM 0 HD2 PRO A 113 14.038 33.981 21.128 1.00 15.00 H new ATOM 0 HD3 PRO A 113 13.409 32.993 19.825 1.00 15.00 H new