USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 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 49 ASN : amide:sc= -1.12 K(o=0.047,f=-3.9!) USER MOD Set 1.2: A 52 THR OG1 : rot 85:sc= 1.11 USER MOD Set 1.3: A 76 CYS SG : rot -13:sc= 0.0533 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot -120:sc= 0.999 USER MOD Single : A 29 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.7) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -100:sc= 0.0891 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.1) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.92! C(o=-2.9!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.63 K(o=-1.6,f=-8.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 74:sc= 0.621 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.69 K(o=-1.7,f=-0.69) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.83! C(o=-1.8!,f=-3.9!) USER MOD Single : A 90 LYS NZ :NH3+ -140:sc= -0.194 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.454 1.128 -11.462 1.00 0.00 N ATOM 391 CA ILE A 28 -37.875 2.465 -11.480 1.00 0.00 C ATOM 392 C ILE A 28 -38.124 3.154 -12.818 1.00 0.00 C ATOM 393 O ILE A 28 -38.141 2.509 -13.865 1.00 0.00 O ATOM 394 CB ILE A 28 -36.359 2.426 -11.211 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.060 1.566 -9.981 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.818 3.835 -11.023 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.634 2.126 -8.698 1.00 0.00 C ATOM 0 HA ILE A 28 -38.363 3.030 -10.686 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.863 1.980 -12.073 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.460 0.565 -10.142 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.980 1.464 -9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.745 3.791 -10.834 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -36.004 4.419 -11.924 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.317 4.306 -10.176 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.383 1.465 -7.868 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.215 3.115 -8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.718 2.202 -8.787 1.00 0.00 H new ATOM 409 N ASN A 29 -38.316 4.468 -12.774 1.00 0.00 N ATOM 410 CA ASN A 29 -38.563 5.245 -13.983 1.00 0.00 C ATOM 411 C ASN A 29 -38.124 6.695 -13.797 1.00 0.00 C ATOM 412 O ASN A 29 -38.076 7.200 -12.675 1.00 0.00 O ATOM 413 CB ASN A 29 -40.047 5.194 -14.353 1.00 0.00 C ATOM 414 CG ASN A 29 -40.572 3.774 -14.437 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.197 3.275 -13.501 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.321 3.116 -15.563 1.00 0.00 N ATOM 0 H ASN A 29 -38.305 5.017 -11.914 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.978 4.807 -14.792 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.623 5.748 -13.612 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.197 5.692 -15.311 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.650 2.157 -15.678 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -39.799 3.569 -16.313 1.00 0.00 H new ATOM 423 N ILE A 30 -37.804 7.357 -14.904 1.00 0.00 N ATOM 424 CA ILE A 30 -37.371 8.748 -14.863 1.00 0.00 C ATOM 425 C ILE A 30 -38.161 9.599 -15.851 1.00 0.00 C ATOM 426 O ILE A 30 -38.687 9.093 -16.843 1.00 0.00 O ATOM 427 CB ILE A 30 -35.869 8.879 -15.177 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.505 8.032 -16.399 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.038 8.464 -13.972 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.036 8.086 -16.756 1.00 0.00 C ATOM 0 H ILE A 30 -37.836 6.952 -15.840 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.555 9.106 -13.850 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.650 9.922 -15.403 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.787 6.996 -16.210 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.091 8.371 -17.253 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.979 8.562 -14.209 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.281 9.105 -13.124 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.258 7.427 -13.718 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.851 7.463 -17.631 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.753 9.115 -16.977 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.444 7.719 -15.918 1.00 0.00 H new ATOM 442 N THR A 31 -38.241 10.897 -15.574 1.00 0.00 N ATOM 443 CA THR A 31 -38.966 11.820 -16.437 1.00 0.00 C ATOM 444 C THR A 31 -38.147 13.076 -16.712 1.00 0.00 C ATOM 445 O THR A 31 -37.034 13.225 -16.207 1.00 0.00 O ATOM 446 CB THR A 31 -40.316 12.227 -15.817 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.164 12.440 -14.409 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.369 11.157 -16.062 1.00 0.00 C ATOM 0 H THR A 31 -37.812 11.332 -14.758 1.00 0.00 H new ATOM 0 HA THR A 31 -39.149 11.296 -17.375 1.00 0.00 H new ATOM 0 HB THR A 31 -40.644 13.152 -16.291 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.026 12.700 -14.023 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.314 11.467 -15.615 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.504 11.018 -17.135 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.045 10.218 -15.612 1.00 0.00 H new ATOM 456 N TYR A 32 -38.704 13.976 -17.513 1.00 0.00 N ATOM 457 CA TYR A 32 -38.024 15.220 -17.856 1.00 0.00 C ATOM 458 C TYR A 32 -37.850 16.103 -16.624 1.00 0.00 C ATOM 459 O TYR A 32 -37.041 17.031 -16.621 1.00 0.00 O ATOM 460 CB TYR A 32 -38.806 15.974 -18.933 1.00 0.00 C ATOM 461 CG TYR A 32 -38.306 15.717 -20.336 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.024 16.093 -20.718 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.116 15.099 -21.281 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.563 15.862 -21.999 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.663 14.862 -22.564 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.386 15.245 -22.919 1.00 0.00 C ATOM 467 OH TYR A 32 -36.931 15.012 -24.196 1.00 0.00 O ATOM 0 H TYR A 32 -39.625 13.868 -17.938 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.036 14.970 -18.243 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.857 15.690 -18.873 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.753 17.043 -18.727 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.377 16.575 -20.000 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.117 14.799 -21.008 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.564 16.162 -22.279 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.305 14.379 -23.286 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.633 14.569 -24.718 1.00 0.00 H new ATOM 477 N ASP A 33 -38.615 15.807 -15.580 1.00 0.00 N ATOM 478 CA ASP A 33 -38.546 16.572 -14.340 1.00 0.00 C ATOM 479 C ASP A 33 -38.056 15.699 -13.189 1.00 0.00 C ATOM 480 O ASP A 33 -38.553 15.796 -12.067 1.00 0.00 O ATOM 481 CB ASP A 33 -39.917 17.160 -14.002 1.00 0.00 C ATOM 482 CG ASP A 33 -40.300 18.301 -14.923 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.767 19.415 -14.740 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.134 18.081 -15.826 1.00 0.00 O ATOM 0 H ASP A 33 -39.290 15.043 -15.567 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.835 17.386 -14.483 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.671 16.376 -14.067 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.913 17.514 -12.971 1.00 0.00 H new ATOM 489 N SER A 34 -37.078 14.845 -13.476 1.00 0.00 N ATOM 490 CA SER A 34 -36.523 13.951 -12.466 1.00 0.00 C ATOM 491 C SER A 34 -35.231 14.519 -11.888 1.00 0.00 C ATOM 492 O SER A 34 -34.673 15.484 -12.413 1.00 0.00 O ATOM 493 CB SER A 34 -36.262 12.568 -13.067 1.00 0.00 C ATOM 494 OG SER A 34 -37.447 11.792 -13.092 1.00 0.00 O ATOM 0 H SER A 34 -36.654 14.753 -14.399 1.00 0.00 H new ATOM 0 HA SER A 34 -37.251 13.858 -11.660 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.872 12.675 -14.079 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.498 12.053 -12.484 1.00 0.00 H new ATOM 0 HG SER A 34 -37.316 10.978 -12.562 1.00 0.00 H new ATOM 500 N THR A 35 -34.758 13.914 -10.803 1.00 0.00 N ATOM 501 CA THR A 35 -33.532 14.359 -10.153 1.00 0.00 C ATOM 502 C THR A 35 -32.335 13.534 -10.612 1.00 0.00 C ATOM 503 O THR A 35 -32.469 12.392 -11.051 1.00 0.00 O ATOM 504 CB THR A 35 -33.645 14.267 -8.619 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.253 12.964 -8.176 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.068 14.557 -8.163 1.00 0.00 C ATOM 0 H THR A 35 -35.206 13.114 -10.356 1.00 0.00 H new ATOM 0 HA THR A 35 -33.383 15.400 -10.438 1.00 0.00 H new ATOM 0 HB THR A 35 -32.981 15.013 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 35 -34.052 12.424 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.124 14.486 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.353 15.561 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.748 13.831 -8.609 1.00 0.00 H new ATOM 514 N PRO A 36 -31.135 14.124 -10.510 1.00 0.00 N ATOM 515 CA PRO A 36 -29.890 13.461 -10.910 1.00 0.00 C ATOM 516 C PRO A 36 -29.517 12.317 -9.974 1.00 0.00 C ATOM 517 O PRO A 36 -28.586 11.560 -10.246 1.00 0.00 O ATOM 518 CB PRO A 36 -28.850 14.581 -10.828 1.00 0.00 C ATOM 519 CG PRO A 36 -29.407 15.544 -9.837 1.00 0.00 C ATOM 520 CD PRO A 36 -30.901 15.484 -9.996 1.00 0.00 C ATOM 0 HA PRO A 36 -29.969 13.006 -11.897 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.881 14.199 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.700 15.054 -11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.111 15.275 -8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.035 16.552 -10.021 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.413 15.649 -9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.262 16.243 -10.690 1.00 0.00 H new ATOM 528 N GLU A 37 -30.249 12.198 -8.871 1.00 0.00 N ATOM 529 CA GLU A 37 -29.993 11.145 -7.895 1.00 0.00 C ATOM 530 C GLU A 37 -30.864 9.923 -8.171 1.00 0.00 C ATOM 531 O GLU A 37 -30.510 8.800 -7.809 1.00 0.00 O ATOM 532 CB GLU A 37 -30.252 11.659 -6.477 1.00 0.00 C ATOM 533 CG GLU A 37 -29.140 11.326 -5.496 1.00 0.00 C ATOM 534 CD GLU A 37 -28.928 12.415 -4.463 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.911 12.794 -3.791 1.00 0.00 O ATOM 536 OE2 GLU A 37 -27.781 12.889 -4.325 1.00 0.00 O ATOM 0 H GLU A 37 -31.023 12.817 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.947 10.851 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.384 12.740 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.187 11.235 -6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.376 10.390 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.212 11.166 -6.045 1.00 0.00 H new ATOM 543 N ASP A 38 -32.004 10.150 -8.814 1.00 0.00 N ATOM 544 CA ASP A 38 -32.926 9.068 -9.140 1.00 0.00 C ATOM 545 C ASP A 38 -32.428 8.273 -10.342 1.00 0.00 C ATOM 546 O ASP A 38 -32.551 7.049 -10.385 1.00 0.00 O ATOM 547 CB ASP A 38 -34.321 9.627 -9.424 1.00 0.00 C ATOM 548 CG ASP A 38 -35.220 9.591 -8.204 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.026 10.430 -7.299 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.117 8.725 -8.154 1.00 0.00 O ATOM 0 H ASP A 38 -32.312 11.073 -9.120 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.979 8.398 -8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.232 10.655 -9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.782 9.053 -10.228 1.00 0.00 H new ATOM 555 N VAL A 39 -31.866 8.977 -11.319 1.00 0.00 N ATOM 556 CA VAL A 39 -31.349 8.337 -12.523 1.00 0.00 C ATOM 557 C VAL A 39 -30.314 7.273 -12.179 1.00 0.00 C ATOM 558 O VAL A 39 -30.263 6.214 -12.805 1.00 0.00 O ATOM 559 CB VAL A 39 -30.713 9.366 -13.477 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.249 8.691 -14.759 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.695 10.488 -13.781 1.00 0.00 C ATOM 0 H VAL A 39 -31.757 9.991 -11.301 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.198 7.867 -13.020 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.841 9.799 -12.987 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.803 9.434 -15.420 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.510 7.926 -14.521 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.102 8.229 -15.256 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.229 11.206 -14.456 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.587 10.074 -14.251 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -31.973 10.989 -12.854 1.00 0.00 H new ATOM 571 N LYS A 40 -29.489 7.560 -11.177 1.00 0.00 N ATOM 572 CA LYS A 40 -28.454 6.627 -10.746 1.00 0.00 C ATOM 573 C LYS A 40 -29.044 5.248 -10.474 1.00 0.00 C ATOM 574 O LYS A 40 -28.495 4.231 -10.899 1.00 0.00 O ATOM 575 CB LYS A 40 -27.757 7.152 -9.489 1.00 0.00 C ATOM 576 CG LYS A 40 -26.265 6.871 -9.458 1.00 0.00 C ATOM 577 CD LYS A 40 -25.600 7.517 -8.254 1.00 0.00 C ATOM 578 CE LYS A 40 -24.465 8.439 -8.672 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.277 8.294 -7.786 1.00 0.00 N ATOM 0 H LYS A 40 -29.517 8.432 -10.648 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.723 6.538 -11.549 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.917 8.228 -9.418 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.221 6.702 -8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.097 5.794 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.805 7.244 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.340 8.083 -7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.215 6.743 -7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.179 8.220 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.810 9.473 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.526 8.939 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.543 8.528 -6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.932 7.314 -7.826 1.00 0.00 H new ATOM 593 N THR A 41 -30.168 5.219 -9.764 1.00 0.00 N ATOM 594 CA THR A 41 -30.833 3.964 -9.436 1.00 0.00 C ATOM 595 C THR A 41 -31.550 3.388 -10.652 1.00 0.00 C ATOM 596 O THR A 41 -31.577 2.173 -10.850 1.00 0.00 O ATOM 597 CB THR A 41 -31.850 4.149 -8.294 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.184 4.616 -7.116 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.569 2.843 -7.993 1.00 0.00 C ATOM 0 H THR A 41 -30.637 6.051 -9.405 1.00 0.00 H new ATOM 0 HA THR A 41 -30.057 3.270 -9.113 1.00 0.00 H new ATOM 0 HB THR A 41 -32.588 4.887 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.838 4.733 -6.395 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.282 2.998 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.099 2.506 -8.884 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.842 2.087 -7.696 1.00 0.00 H new ATOM 607 N TRP A 42 -32.129 4.266 -11.463 1.00 0.00 N ATOM 608 CA TRP A 42 -32.846 3.843 -12.660 1.00 0.00 C ATOM 609 C TRP A 42 -31.932 3.053 -13.591 1.00 0.00 C ATOM 610 O TRP A 42 -32.374 2.125 -14.270 1.00 0.00 O ATOM 611 CB TRP A 42 -33.415 5.058 -13.394 1.00 0.00 C ATOM 612 CG TRP A 42 -34.146 4.702 -14.653 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.432 4.253 -14.755 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.634 4.764 -15.989 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.750 4.032 -16.074 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.664 4.339 -16.851 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.406 5.139 -16.541 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.501 4.278 -18.232 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.246 5.078 -17.912 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.289 4.651 -18.745 1.00 0.00 C ATOM 0 H TRP A 42 -32.116 5.275 -11.313 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.667 3.196 -12.352 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.092 5.592 -12.728 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.601 5.742 -13.636 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.101 4.095 -13.922 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.649 3.694 -16.418 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.597 5.470 -15.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.303 3.948 -18.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.301 5.364 -18.349 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.133 4.616 -19.813 1.00 0.00 H new ATOM 631 N LEU A 43 -30.658 3.426 -13.619 1.00 0.00 N ATOM 632 CA LEU A 43 -29.681 2.751 -14.467 1.00 0.00 C ATOM 633 C LEU A 43 -29.268 1.413 -13.862 1.00 0.00 C ATOM 634 O LEU A 43 -29.143 0.414 -14.570 1.00 0.00 O ATOM 635 CB LEU A 43 -28.450 3.637 -14.665 1.00 0.00 C ATOM 636 CG LEU A 43 -28.713 5.039 -15.214 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.793 6.053 -14.552 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.536 5.062 -16.725 1.00 0.00 C ATOM 0 H LEU A 43 -30.277 4.192 -13.064 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.145 2.563 -15.435 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.939 3.734 -13.707 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.765 3.126 -15.342 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.743 5.311 -14.985 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.995 7.045 -14.956 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.969 6.056 -13.476 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.755 5.785 -14.749 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.727 6.068 -17.098 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.517 4.769 -16.976 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.237 4.365 -17.184 1.00 0.00 H new ATOM 650 N GLN A 44 -29.058 1.402 -12.550 1.00 0.00 N ATOM 651 CA GLN A 44 -28.660 0.186 -11.851 1.00 0.00 C ATOM 652 C GLN A 44 -29.772 -0.857 -11.896 1.00 0.00 C ATOM 653 O GLN A 44 -29.522 -2.035 -12.152 1.00 0.00 O ATOM 654 CB GLN A 44 -28.300 0.502 -10.398 1.00 0.00 C ATOM 655 CG GLN A 44 -27.074 1.389 -10.255 1.00 0.00 C ATOM 656 CD GLN A 44 -26.033 0.800 -9.322 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.361 0.050 -8.402 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.770 1.138 -9.556 1.00 0.00 N ATOM 0 H GLN A 44 -29.157 2.221 -11.950 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.784 -0.222 -12.355 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.149 0.990 -9.920 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.127 -0.432 -9.864 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.628 1.547 -11.237 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.379 2.367 -9.882 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.544 1.763 -10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.026 0.773 -8.962 1.00 0.00 H new ATOM 667 N SER A 45 -31.001 -0.416 -11.645 1.00 0.00 N ATOM 668 CA SER A 45 -32.151 -1.312 -11.652 1.00 0.00 C ATOM 669 C SER A 45 -32.213 -2.105 -12.954 1.00 0.00 C ATOM 670 O SER A 45 -32.330 -3.330 -12.944 1.00 0.00 O ATOM 671 CB SER A 45 -33.445 -0.517 -11.464 1.00 0.00 C ATOM 672 OG SER A 45 -34.540 -1.173 -12.078 1.00 0.00 O ATOM 0 H SER A 45 -31.225 0.556 -11.434 1.00 0.00 H new ATOM 0 HA SER A 45 -32.040 -2.013 -10.824 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.645 -0.387 -10.400 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.329 0.479 -11.890 1.00 0.00 H new ATOM 0 HG SER A 45 -35.355 -0.646 -11.942 1.00 0.00 H new ATOM 678 N LYS A 46 -32.135 -1.396 -14.076 1.00 0.00 N ATOM 679 CA LYS A 46 -32.181 -2.031 -15.387 1.00 0.00 C ATOM 680 C LYS A 46 -31.054 -3.047 -15.540 1.00 0.00 C ATOM 681 O LYS A 46 -31.170 -4.008 -16.299 1.00 0.00 O ATOM 682 CB LYS A 46 -32.084 -0.975 -16.491 1.00 0.00 C ATOM 683 CG LYS A 46 -33.258 -0.012 -16.517 1.00 0.00 C ATOM 684 CD LYS A 46 -34.565 -0.733 -16.800 1.00 0.00 C ATOM 685 CE LYS A 46 -35.685 0.247 -17.117 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.027 -0.387 -16.994 1.00 0.00 N ATOM 0 H LYS A 46 -32.040 -0.381 -14.103 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.133 -2.555 -15.476 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.163 -0.408 -16.359 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -32.015 -1.476 -17.456 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.327 0.505 -15.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.089 0.749 -17.279 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.430 -1.417 -17.638 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.843 -1.338 -15.937 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.623 1.100 -16.442 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.556 0.631 -18.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.763 0.313 -17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.096 -1.186 -17.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.161 -0.731 -16.022 1.00 0.00 H new ATOM 700 N GLY A 47 -29.963 -2.828 -14.812 1.00 0.00 N ATOM 701 CA GLY A 47 -28.831 -3.734 -14.880 1.00 0.00 C ATOM 702 C GLY A 47 -27.721 -3.208 -15.768 1.00 0.00 C ATOM 703 O GLY A 47 -27.153 -3.950 -16.569 1.00 0.00 O ATOM 0 H GLY A 47 -29.843 -2.039 -14.176 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.441 -3.900 -13.876 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.165 -4.701 -15.256 1.00 0.00 H new ATOM 707 N PHE A 48 -27.411 -1.924 -15.627 1.00 0.00 N ATOM 708 CA PHE A 48 -26.362 -1.298 -16.424 1.00 0.00 C ATOM 709 C PHE A 48 -25.053 -1.229 -15.644 1.00 0.00 C ATOM 710 O PHE A 48 -25.054 -1.079 -14.423 1.00 0.00 O ATOM 711 CB PHE A 48 -26.788 0.108 -16.853 1.00 0.00 C ATOM 712 CG PHE A 48 -27.726 0.118 -18.027 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.250 -0.086 -19.312 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.082 0.332 -17.844 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.111 -0.076 -20.393 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.948 0.343 -18.922 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.461 0.137 -20.198 1.00 0.00 C ATOM 0 H PHE A 48 -27.871 -1.296 -14.968 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.203 -1.909 -17.312 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.268 0.607 -16.011 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.900 0.688 -17.103 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.195 -0.255 -19.471 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.468 0.492 -16.848 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.728 -0.235 -21.390 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.003 0.512 -18.766 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.135 0.143 -21.042 1.00 0.00 H new ATOM 727 N ASN A 49 -23.938 -1.341 -16.358 1.00 0.00 N ATOM 728 CA ASN A 49 -22.621 -1.293 -15.733 1.00 0.00 C ATOM 729 C ASN A 49 -22.472 -0.041 -14.875 1.00 0.00 C ATOM 730 O ASN A 49 -23.140 0.971 -15.088 1.00 0.00 O ATOM 731 CB ASN A 49 -21.526 -1.327 -16.801 1.00 0.00 C ATOM 732 CG ASN A 49 -21.462 -0.044 -17.605 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.374 0.782 -17.551 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.382 0.130 -18.358 1.00 0.00 N ATOM 0 H ASN A 49 -23.920 -1.466 -17.370 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.519 -2.167 -15.089 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.562 -1.502 -16.323 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.705 -2.166 -17.474 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.284 0.974 -18.922 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.650 -0.581 -18.372 1.00 0.00 H new ATOM 741 N PRO A 50 -21.574 -0.108 -13.881 1.00 0.00 N ATOM 742 CA PRO A 50 -21.315 1.012 -12.971 1.00 0.00 C ATOM 743 C PRO A 50 -20.606 2.170 -13.665 1.00 0.00 C ATOM 744 O PRO A 50 -20.756 3.327 -13.273 1.00 0.00 O ATOM 745 CB PRO A 50 -20.412 0.396 -11.899 1.00 0.00 C ATOM 746 CG PRO A 50 -19.744 -0.750 -12.579 1.00 0.00 C ATOM 747 CD PRO A 50 -20.743 -1.283 -13.569 1.00 0.00 C ATOM 0 HA PRO A 50 -22.237 1.439 -12.577 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.683 1.119 -11.533 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.991 0.063 -11.038 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.831 -0.428 -13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.459 -1.518 -11.860 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.255 -1.678 -14.460 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.336 -2.093 -13.145 1.00 0.00 H new ATOM 755 N VAL A 51 -19.832 1.850 -14.697 1.00 0.00 N ATOM 756 CA VAL A 51 -19.100 2.865 -15.446 1.00 0.00 C ATOM 757 C VAL A 51 -20.052 3.875 -16.078 1.00 0.00 C ATOM 758 O VAL A 51 -19.668 5.007 -16.372 1.00 0.00 O ATOM 759 CB VAL A 51 -18.234 2.231 -16.552 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.506 3.307 -17.343 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.249 1.239 -15.953 1.00 0.00 C ATOM 0 H VAL A 51 -19.696 0.897 -15.033 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.451 3.377 -14.735 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.888 1.691 -17.237 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.900 2.840 -18.119 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.234 3.975 -17.804 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.862 3.878 -16.674 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.645 0.801 -16.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.599 1.754 -15.246 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.796 0.451 -15.436 1.00 0.00 H new ATOM 771 N THR A 52 -21.297 3.457 -16.284 1.00 0.00 N ATOM 772 CA THR A 52 -22.305 4.324 -16.882 1.00 0.00 C ATOM 773 C THR A 52 -23.093 5.070 -15.811 1.00 0.00 C ATOM 774 O THR A 52 -23.329 6.273 -15.924 1.00 0.00 O ATOM 775 CB THR A 52 -23.284 3.524 -17.761 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.592 2.966 -18.883 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.421 4.410 -18.249 1.00 0.00 C ATOM 0 H THR A 52 -21.631 2.523 -16.046 1.00 0.00 H new ATOM 0 HA THR A 52 -21.774 5.043 -17.506 1.00 0.00 H new ATOM 0 HB THR A 52 -23.705 2.719 -17.158 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.187 2.111 -18.626 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.100 3.823 -18.868 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.964 4.809 -17.393 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.014 5.233 -18.837 1.00 0.00 H new ATOM 785 N VAL A 53 -23.498 4.349 -14.771 1.00 0.00 N ATOM 786 CA VAL A 53 -24.259 4.943 -13.678 1.00 0.00 C ATOM 787 C VAL A 53 -23.448 6.020 -12.966 1.00 0.00 C ATOM 788 O VAL A 53 -24.003 6.882 -12.287 1.00 0.00 O ATOM 789 CB VAL A 53 -24.691 3.879 -12.652 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.599 4.493 -11.597 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.380 2.716 -13.349 1.00 0.00 C ATOM 0 H VAL A 53 -23.312 3.352 -14.662 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.148 5.394 -14.119 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.800 3.497 -12.153 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.894 3.727 -10.880 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.066 5.290 -11.077 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.488 4.903 -12.076 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.679 1.974 -12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.263 3.079 -13.876 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.693 2.261 -14.063 1.00 0.00 H new ATOM 801 N ASN A 54 -22.130 5.964 -13.128 1.00 0.00 N ATOM 802 CA ASN A 54 -21.241 6.936 -12.500 1.00 0.00 C ATOM 803 C ASN A 54 -21.162 8.215 -13.328 1.00 0.00 C ATOM 804 O ASN A 54 -21.178 9.320 -12.785 1.00 0.00 O ATOM 805 CB ASN A 54 -19.842 6.341 -12.326 1.00 0.00 C ATOM 806 CG ASN A 54 -19.427 6.256 -10.870 1.00 0.00 C ATOM 807 OD1 ASN A 54 -18.745 7.141 -10.355 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.838 5.186 -10.200 1.00 0.00 N ATOM 0 H ASN A 54 -21.654 5.257 -13.688 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.648 7.183 -11.520 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.817 5.345 -12.767 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.121 6.950 -12.872 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.590 5.073 -9.217 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.402 4.477 -10.668 1.00 0.00 H new ATOM 815 N SER A 55 -21.079 8.057 -14.645 1.00 0.00 N ATOM 816 CA SER A 55 -20.994 9.199 -15.548 1.00 0.00 C ATOM 817 C SER A 55 -22.370 9.822 -15.766 1.00 0.00 C ATOM 818 O SER A 55 -22.487 11.018 -16.035 1.00 0.00 O ATOM 819 CB SER A 55 -20.397 8.771 -16.890 1.00 0.00 C ATOM 820 OG SER A 55 -19.488 9.743 -17.377 1.00 0.00 O ATOM 0 H SER A 55 -21.069 7.149 -15.111 1.00 0.00 H new ATOM 0 HA SER A 55 -20.344 9.945 -15.091 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.886 7.815 -16.776 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.196 8.620 -17.616 1.00 0.00 H new ATOM 0 HG SER A 55 -19.119 9.445 -18.235 1.00 0.00 H new ATOM 826 N LEU A 56 -23.409 9.002 -15.648 1.00 0.00 N ATOM 827 CA LEU A 56 -24.778 9.471 -15.831 1.00 0.00 C ATOM 828 C LEU A 56 -25.539 9.459 -14.510 1.00 0.00 C ATOM 829 O LEU A 56 -26.768 9.409 -14.490 1.00 0.00 O ATOM 830 CB LEU A 56 -25.503 8.600 -16.859 1.00 0.00 C ATOM 831 CG LEU A 56 -24.772 8.374 -18.183 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.529 7.378 -19.048 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.587 9.692 -18.921 1.00 0.00 C ATOM 0 H LEU A 56 -23.329 8.010 -15.427 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.739 10.497 -16.196 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.702 7.628 -16.407 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.470 9.055 -17.074 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.787 7.960 -17.966 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.994 7.230 -19.986 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.609 6.427 -18.522 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.527 7.763 -19.257 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.065 9.513 -19.861 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.562 10.134 -19.126 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.001 10.375 -18.305 1.00 0.00 H new ATOM 845 N GLY A 57 -24.800 9.507 -13.406 1.00 0.00 N ATOM 846 CA GLY A 57 -25.422 9.503 -12.095 1.00 0.00 C ATOM 847 C GLY A 57 -25.452 10.881 -11.463 1.00 0.00 C ATOM 848 O GLY A 57 -25.838 11.032 -10.304 1.00 0.00 O ATOM 0 H GLY A 57 -23.781 9.549 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.440 9.124 -12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.881 8.819 -11.442 1.00 0.00 H new ATOM 852 N VAL A 58 -25.042 11.889 -12.226 1.00 0.00 N ATOM 853 CA VAL A 58 -25.023 13.261 -11.734 1.00 0.00 C ATOM 854 C VAL A 58 -25.967 14.147 -12.539 1.00 0.00 C ATOM 855 O VAL A 58 -26.325 15.244 -12.108 1.00 0.00 O ATOM 856 CB VAL A 58 -23.604 13.858 -11.790 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.722 13.241 -10.715 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.996 13.657 -13.170 1.00 0.00 C ATOM 0 H VAL A 58 -24.719 11.781 -13.187 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.355 13.229 -10.696 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.671 14.929 -11.600 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.724 13.675 -10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.151 13.441 -9.733 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.658 12.164 -10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.994 14.085 -13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.941 12.591 -13.391 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.618 14.151 -13.917 1.00 0.00 H new ATOM 868 N LEU A 59 -26.367 13.665 -13.709 1.00 0.00 N ATOM 869 CA LEU A 59 -27.272 14.412 -14.576 1.00 0.00 C ATOM 870 C LEU A 59 -28.726 14.066 -14.274 1.00 0.00 C ATOM 871 O LEU A 59 -29.070 12.900 -14.082 1.00 0.00 O ATOM 872 CB LEU A 59 -26.960 14.120 -16.045 1.00 0.00 C ATOM 873 CG LEU A 59 -25.641 14.681 -16.576 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.479 14.358 -18.053 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.569 16.183 -16.345 1.00 0.00 C ATOM 0 H LEU A 59 -26.079 12.760 -14.080 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.124 15.475 -14.384 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.955 13.039 -16.187 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.772 14.518 -16.654 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.823 14.210 -16.031 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.534 14.765 -18.413 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.484 13.277 -18.192 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.302 14.800 -18.614 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.623 16.565 -16.729 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.395 16.671 -16.863 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.637 16.391 -15.277 1.00 0.00 H new ATOM 887 N ASN A 60 -29.577 15.086 -14.236 1.00 0.00 N ATOM 888 CA ASN A 60 -30.995 14.889 -13.959 1.00 0.00 C ATOM 889 C ASN A 60 -31.701 14.260 -15.156 1.00 0.00 C ATOM 890 O ASN A 60 -31.174 14.255 -16.268 1.00 0.00 O ATOM 891 CB ASN A 60 -31.657 16.223 -13.605 1.00 0.00 C ATOM 892 CG ASN A 60 -31.432 17.280 -14.669 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.067 17.261 -15.723 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.523 18.209 -14.396 1.00 0.00 N ATOM 0 H ASN A 60 -29.309 16.058 -14.394 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.083 14.211 -13.110 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.728 16.070 -13.470 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.263 16.580 -12.653 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.328 18.946 -15.074 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.020 18.186 -13.509 1.00 0.00 H new ATOM 901 N GLY A 61 -32.898 13.731 -14.920 1.00 0.00 N ATOM 902 CA GLY A 61 -33.656 13.107 -15.988 1.00 0.00 C ATOM 903 C GLY A 61 -33.790 14.003 -17.204 1.00 0.00 C ATOM 904 O GLY A 61 -33.750 13.529 -18.339 1.00 0.00 O ATOM 0 H GLY A 61 -33.356 13.724 -14.009 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.170 12.176 -16.278 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.649 12.847 -15.621 1.00 0.00 H new ATOM 908 N ALA A 62 -33.952 15.300 -16.966 1.00 0.00 N ATOM 909 CA ALA A 62 -34.092 16.264 -18.051 1.00 0.00 C ATOM 910 C ALA A 62 -32.857 16.266 -18.946 1.00 0.00 C ATOM 911 O ALA A 62 -32.959 16.083 -20.159 1.00 0.00 O ATOM 912 CB ALA A 62 -34.342 17.656 -17.491 1.00 0.00 C ATOM 0 H ALA A 62 -33.990 15.708 -16.032 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.948 15.969 -18.658 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.445 18.366 -18.312 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.257 17.651 -16.899 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.503 17.950 -16.860 1.00 0.00 H new ATOM 918 N GLN A 63 -31.693 16.474 -18.341 1.00 0.00 N ATOM 919 CA GLN A 63 -30.439 16.500 -19.085 1.00 0.00 C ATOM 920 C GLN A 63 -30.197 15.171 -19.791 1.00 0.00 C ATOM 921 O GLN A 63 -29.902 15.136 -20.987 1.00 0.00 O ATOM 922 CB GLN A 63 -29.272 16.813 -18.147 1.00 0.00 C ATOM 923 CG GLN A 63 -29.359 18.188 -17.505 1.00 0.00 C ATOM 924 CD GLN A 63 -28.377 19.176 -18.104 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.696 19.906 -17.384 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.299 19.203 -19.430 1.00 0.00 N ATOM 0 H GLN A 63 -31.591 16.627 -17.338 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.510 17.283 -19.840 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.234 16.057 -17.363 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.339 16.740 -18.705 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.372 18.574 -17.619 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.171 18.098 -16.435 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.883 18.580 -19.988 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.655 19.847 -19.890 1.00 0.00 H new ATOM 935 N LEU A 64 -30.323 14.079 -19.046 1.00 0.00 N ATOM 936 CA LEU A 64 -30.118 12.745 -19.601 1.00 0.00 C ATOM 937 C LEU A 64 -31.037 12.505 -20.794 1.00 0.00 C ATOM 938 O LEU A 64 -30.638 11.892 -21.784 1.00 0.00 O ATOM 939 CB LEU A 64 -30.365 11.682 -18.529 1.00 0.00 C ATOM 940 CG LEU A 64 -30.267 10.228 -18.992 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.332 9.441 -18.087 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.646 9.585 -19.026 1.00 0.00 C ATOM 0 H LEU A 64 -30.566 14.090 -18.055 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.085 12.674 -19.942 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.648 11.835 -17.722 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.358 11.842 -18.108 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.857 10.215 -20.002 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.275 8.409 -18.432 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.338 9.888 -18.114 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.712 9.462 -17.065 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.557 8.551 -19.358 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.084 9.610 -18.028 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.286 10.134 -19.717 1.00 0.00 H new ATOM 954 N PHE A 65 -32.269 12.993 -20.693 1.00 0.00 N ATOM 955 CA PHE A 65 -33.245 12.832 -21.765 1.00 0.00 C ATOM 956 C PHE A 65 -32.803 13.581 -23.019 1.00 0.00 C ATOM 957 O PHE A 65 -33.222 13.254 -24.130 1.00 0.00 O ATOM 958 CB PHE A 65 -34.617 13.336 -21.313 1.00 0.00 C ATOM 959 CG PHE A 65 -35.431 12.297 -20.596 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.812 11.309 -19.847 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.814 12.309 -20.670 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.558 10.352 -19.186 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.566 11.354 -20.011 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.937 10.375 -19.268 1.00 0.00 C ATOM 0 H PHE A 65 -32.615 13.503 -19.880 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.316 11.771 -22.003 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.481 14.196 -20.657 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.172 13.684 -22.184 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.734 11.287 -19.779 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.311 13.073 -21.249 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.064 9.587 -18.606 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.644 11.374 -20.077 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.522 9.628 -18.752 1.00 0.00 H new ATOM 974 N SER A 66 -31.955 14.587 -22.833 1.00 0.00 N ATOM 975 CA SER A 66 -31.460 15.385 -23.948 1.00 0.00 C ATOM 976 C SER A 66 -30.405 14.618 -24.740 1.00 0.00 C ATOM 977 O SER A 66 -30.269 14.796 -25.951 1.00 0.00 O ATOM 978 CB SER A 66 -30.873 16.703 -23.439 1.00 0.00 C ATOM 979 OG SER A 66 -30.717 17.634 -24.495 1.00 0.00 O ATOM 0 H SER A 66 -31.596 14.869 -21.921 1.00 0.00 H new ATOM 0 HA SER A 66 -32.300 15.600 -24.609 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.525 17.123 -22.673 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.907 16.517 -22.969 1.00 0.00 H new ATOM 0 HG SER A 66 -30.342 18.468 -24.143 1.00 0.00 H new ATOM 985 N LEU A 67 -29.660 13.764 -24.047 1.00 0.00 N ATOM 986 CA LEU A 67 -28.616 12.968 -24.683 1.00 0.00 C ATOM 987 C LEU A 67 -29.222 11.862 -25.541 1.00 0.00 C ATOM 988 O LEU A 67 -30.181 11.205 -25.138 1.00 0.00 O ATOM 989 CB LEU A 67 -27.694 12.360 -23.625 1.00 0.00 C ATOM 990 CG LEU A 67 -27.088 13.341 -22.620 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.268 12.598 -21.577 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.231 14.375 -23.336 1.00 0.00 C ATOM 0 H LEU A 67 -29.759 13.605 -23.044 1.00 0.00 H new ATOM 0 HA LEU A 67 -28.034 13.626 -25.328 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.255 11.606 -23.073 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.880 11.843 -24.134 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.901 13.860 -22.112 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.845 13.312 -20.871 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.908 11.896 -21.043 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.462 12.053 -22.068 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.808 15.065 -22.606 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.425 13.872 -23.870 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.846 14.929 -24.045 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.654 11.661 -26.726 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.137 10.633 -27.641 1.00 0.00 C ATOM 1006 C ASN A 68 -28.144 9.478 -27.734 1.00 0.00 C ATOM 1007 O ASN A 68 -27.183 9.407 -26.969 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.376 11.228 -29.030 1.00 0.00 C ATOM 1009 CG ASN A 68 -28.082 11.517 -29.766 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.693 10.780 -30.672 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -27.408 12.593 -29.378 1.00 0.00 N ATOM 0 H ASN A 68 -27.859 12.196 -27.075 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.079 10.248 -27.251 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -29.979 10.537 -29.619 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.950 12.150 -28.934 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -26.530 12.837 -29.836 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.768 13.175 -28.622 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.384 8.574 -28.679 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.511 7.423 -28.876 1.00 0.00 C ATOM 1020 C LYS A 69 -26.056 7.860 -29.016 1.00 0.00 C ATOM 1021 O LYS A 69 -25.141 7.140 -28.617 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.940 6.638 -30.118 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.478 5.191 -30.112 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.717 4.525 -31.457 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.552 3.016 -31.368 1.00 0.00 C ATOM 1026 NZ LYS A 69 -28.171 2.320 -32.530 1.00 0.00 N ATOM 0 H LYS A 69 -29.176 8.617 -29.320 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.596 6.781 -28.000 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.027 6.663 -30.196 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.545 7.133 -31.005 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.417 5.148 -29.867 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.008 4.642 -29.334 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.721 4.762 -31.809 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.019 4.926 -32.192 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.491 2.769 -31.320 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -28.006 2.655 -30.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -28.037 1.293 -32.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -29.188 2.535 -32.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.721 2.645 -33.409 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.851 9.044 -29.583 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.508 9.578 -29.772 1.00 0.00 C ATOM 1042 C ASP A 70 -23.963 10.154 -28.469 1.00 0.00 C ATOM 1043 O ASP A 70 -22.932 9.710 -27.966 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.513 10.655 -30.858 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.500 10.380 -31.952 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.473 9.240 -32.461 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.733 11.303 -32.297 1.00 0.00 O ATOM 0 H ASP A 70 -26.598 9.652 -29.920 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.859 8.760 -30.085 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.509 10.719 -31.297 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.301 11.624 -30.406 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.663 11.147 -27.929 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.247 11.785 -26.685 1.00 0.00 C ATOM 1054 C GLU A 71 -23.988 10.744 -25.600 1.00 0.00 C ATOM 1055 O GLU A 71 -22.973 10.795 -24.905 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.314 12.776 -26.213 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.640 13.852 -27.235 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.976 15.177 -26.920 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.508 15.919 -26.068 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -23.924 15.473 -27.524 1.00 0.00 O ATOM 0 H GLU A 71 -25.519 11.527 -28.333 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.319 12.324 -26.875 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.225 12.228 -25.971 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.974 13.252 -25.293 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.323 13.517 -28.223 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.720 13.992 -27.277 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.914 9.802 -25.459 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.788 8.748 -24.459 1.00 0.00 C ATOM 1069 C LEU A 72 -23.613 7.830 -24.780 1.00 0.00 C ATOM 1070 O LEU A 72 -22.965 7.296 -23.880 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.080 7.934 -24.381 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.163 8.481 -23.450 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.544 8.253 -24.046 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.060 7.838 -22.075 1.00 0.00 C ATOM 0 H LEU A 72 -25.761 9.747 -26.025 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.604 9.218 -23.493 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.498 7.856 -25.385 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.830 6.923 -24.060 1.00 0.00 H new ATOM 0 HG LEU A 72 -27.011 9.555 -23.338 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.302 8.649 -23.370 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.614 8.762 -25.007 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.707 7.185 -24.189 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.839 8.240 -21.426 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.185 6.759 -22.168 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.082 8.054 -21.645 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.344 7.652 -26.069 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.246 6.799 -26.510 1.00 0.00 C ATOM 1088 C ARG A 73 -20.900 7.468 -26.250 1.00 0.00 C ATOM 1089 O ARG A 73 -19.878 6.796 -26.105 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.389 6.476 -27.998 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.202 5.721 -28.574 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.641 4.703 -29.615 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.576 3.757 -29.939 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.171 2.797 -29.116 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -20.739 2.655 -27.926 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.196 1.975 -29.483 1.00 0.00 N ATOM 0 H ARG A 73 -23.871 8.087 -26.826 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.287 5.872 -25.939 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.292 5.885 -28.148 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.521 7.405 -28.552 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.505 6.427 -29.025 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.667 5.214 -27.771 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.510 4.158 -29.245 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.952 5.222 -30.521 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.119 3.838 -30.847 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.489 3.284 -27.641 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.426 1.916 -27.296 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.757 2.080 -30.398 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.885 1.238 -28.850 1.00 0.00 H new ATOM 1110 N THR A 74 -20.906 8.796 -26.192 1.00 0.00 N ATOM 1111 CA THR A 74 -19.686 9.556 -25.952 1.00 0.00 C ATOM 1112 C THR A 74 -19.332 9.574 -24.469 1.00 0.00 C ATOM 1113 O THR A 74 -18.164 9.459 -24.098 1.00 0.00 O ATOM 1114 CB THR A 74 -19.819 11.006 -26.454 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.193 11.305 -26.728 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.988 11.223 -27.709 1.00 0.00 C ATOM 0 H THR A 74 -21.743 9.368 -26.308 1.00 0.00 H new ATOM 0 HA THR A 74 -18.890 9.059 -26.507 1.00 0.00 H new ATOM 0 HB THR A 74 -19.450 11.672 -25.674 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.678 11.415 -25.884 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.098 12.254 -28.045 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.939 11.023 -27.490 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.330 10.548 -28.493 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.349 9.719 -23.625 1.00 0.00 N ATOM 1125 CA VAL A 75 -20.145 9.751 -22.182 1.00 0.00 C ATOM 1126 C VAL A 75 -19.801 8.366 -21.645 1.00 0.00 C ATOM 1127 O VAL A 75 -19.012 8.230 -20.710 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.394 10.278 -21.450 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.597 9.394 -21.743 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -21.137 10.363 -19.953 1.00 0.00 C ATOM 0 H VAL A 75 -21.322 9.816 -23.916 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.311 10.428 -21.995 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.613 11.281 -21.816 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.470 9.782 -21.218 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.792 9.388 -22.815 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.392 8.378 -21.406 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -22.029 10.737 -19.451 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.893 9.373 -19.569 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.304 11.040 -19.765 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.399 7.341 -22.243 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.156 5.965 -21.825 1.00 0.00 C ATOM 1142 C CYS A 76 -20.256 5.011 -23.011 1.00 0.00 C ATOM 1143 O CYS A 76 -20.935 5.282 -24.001 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.154 5.556 -20.740 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.884 5.652 -21.255 1.00 0.00 S ATOM 0 H CYS A 76 -21.055 7.437 -23.018 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.146 5.907 -21.420 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.935 4.535 -20.426 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -21.009 6.195 -19.869 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.969 6.319 -22.368 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.562 3.867 -22.910 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.556 2.850 -23.966 1.00 0.00 C ATOM 1153 C PRO A 77 -20.899 2.139 -24.094 1.00 0.00 C ATOM 1154 O PRO A 77 -21.212 1.571 -25.140 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.473 1.870 -23.507 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.417 2.033 -22.028 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.732 3.478 -21.758 1.00 0.00 C ATOM 0 HA PRO A 77 -19.370 3.283 -24.949 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.723 0.846 -23.783 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.512 2.098 -23.967 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.136 1.378 -21.536 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.432 1.770 -21.644 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.267 3.604 -20.817 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.827 4.081 -21.693 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.687 2.175 -23.024 1.00 0.00 N ATOM 1166 CA GLU A 78 -22.996 1.533 -23.019 1.00 0.00 C ATOM 1167 C GLU A 78 -24.094 2.534 -23.366 1.00 0.00 C ATOM 1168 O GLU A 78 -25.258 2.343 -23.015 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.276 0.907 -21.651 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.206 -0.073 -21.200 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.939 -1.157 -22.226 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.807 -2.039 -22.397 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.862 -1.125 -22.858 1.00 0.00 O ATOM 0 H GLU A 78 -21.442 2.641 -22.151 1.00 0.00 H new ATOM 0 HA GLU A 78 -22.991 0.749 -23.776 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.366 1.701 -20.909 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.236 0.393 -21.686 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.282 0.470 -21.001 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.513 -0.534 -20.261 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.715 3.604 -24.060 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.678 4.619 -24.443 1.00 0.00 C ATOM 1182 C GLY A 79 -25.782 4.069 -25.323 1.00 0.00 C ATOM 1183 O GLY A 79 -26.964 4.271 -25.046 1.00 0.00 O ATOM 0 H GLY A 79 -22.758 3.785 -24.363 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.117 5.056 -23.546 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.164 5.423 -24.970 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.398 3.372 -26.387 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.365 2.790 -27.309 1.00 0.00 C ATOM 1189 C ALA A 80 -27.362 1.903 -26.572 1.00 0.00 C ATOM 1190 O ALA A 80 -28.492 1.717 -27.023 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.649 1.996 -28.392 1.00 0.00 C ATOM 0 H ALA A 80 -24.423 3.197 -26.632 1.00 0.00 H new ATOM 0 HA ALA A 80 -26.920 3.604 -27.776 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.383 1.567 -29.074 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -24.982 2.656 -28.946 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.069 1.196 -27.933 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.936 1.358 -25.437 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.792 0.488 -24.639 1.00 0.00 C ATOM 1199 C ARG A 81 -28.654 1.305 -23.681 1.00 0.00 C ATOM 1200 O ARG A 81 -29.788 0.933 -23.379 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.945 -0.513 -23.852 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.034 -1.360 -24.726 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.700 -2.668 -25.122 1.00 0.00 C ATOM 1204 NE ARG A 81 -25.868 -3.454 -26.030 1.00 0.00 N ATOM 1205 CZ ARG A 81 -25.743 -3.190 -27.326 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -26.392 -2.167 -27.863 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -24.967 -3.951 -28.086 1.00 0.00 N ATOM 0 H ARG A 81 -26.004 1.503 -25.050 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.449 -0.056 -25.318 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.338 0.029 -23.127 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.606 -1.170 -23.287 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.766 -0.801 -25.623 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.107 -1.570 -24.192 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.911 -3.253 -24.227 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.657 -2.457 -25.599 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.355 -4.249 -25.648 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -26.989 -1.580 -27.281 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -26.294 -1.967 -28.858 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -24.466 -4.739 -27.675 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -24.871 -3.748 -29.081 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.108 2.420 -23.206 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.827 3.290 -22.282 1.00 0.00 C ATOM 1223 C VAL A 82 -29.916 4.076 -23.003 1.00 0.00 C ATOM 1224 O VAL A 82 -31.055 4.145 -22.542 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.873 4.277 -21.584 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.644 5.186 -20.639 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.780 3.525 -20.840 1.00 0.00 C ATOM 0 H VAL A 82 -27.170 2.742 -23.446 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.285 2.646 -21.531 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.401 4.899 -22.344 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.954 5.877 -20.155 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.387 5.751 -21.203 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.145 4.583 -19.882 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.115 4.238 -20.353 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.231 2.877 -20.088 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.210 2.920 -21.545 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.558 4.668 -24.138 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.504 5.451 -24.923 1.00 0.00 C ATOM 1239 C TYR A 83 -31.755 4.637 -25.240 1.00 0.00 C ATOM 1240 O TYR A 83 -32.877 5.127 -25.113 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.850 5.929 -26.220 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.793 6.681 -27.133 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.220 7.965 -26.818 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.257 6.106 -28.310 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.082 8.654 -27.649 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.118 6.789 -29.147 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.528 8.062 -28.812 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.386 8.746 -29.643 1.00 0.00 O ATOM 0 H TYR A 83 -28.619 4.620 -24.534 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.798 6.318 -24.331 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.005 6.572 -25.975 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.450 5.067 -26.755 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.872 8.432 -25.908 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.939 5.108 -28.575 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.405 9.651 -27.389 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.468 6.328 -30.059 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.603 8.189 -30.419 1.00 0.00 H new ATOM 1258 N SER A 84 -31.552 3.390 -25.654 1.00 0.00 N ATOM 1259 CA SER A 84 -32.662 2.507 -25.993 1.00 0.00 C ATOM 1260 C SER A 84 -33.599 2.330 -24.802 1.00 0.00 C ATOM 1261 O SER A 84 -34.768 1.985 -24.966 1.00 0.00 O ATOM 1262 CB SER A 84 -32.136 1.145 -26.450 1.00 0.00 C ATOM 1263 OG SER A 84 -33.161 0.382 -27.063 1.00 0.00 O ATOM 0 H SER A 84 -30.629 2.969 -25.763 1.00 0.00 H new ATOM 0 HA SER A 84 -33.222 2.964 -26.808 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.314 1.286 -27.152 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.735 0.601 -25.595 1.00 0.00 H new ATOM 0 HG SER A 84 -32.799 -0.483 -27.348 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.074 2.569 -23.604 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.863 2.436 -22.385 1.00 0.00 C ATOM 1271 C GLN A 85 -34.527 3.759 -22.019 1.00 0.00 C ATOM 1272 O GLN A 85 -35.528 3.784 -21.301 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.980 1.958 -21.231 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.738 0.457 -21.231 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.026 -0.342 -21.257 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.486 -0.765 -22.318 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.617 -0.553 -20.087 1.00 0.00 N ATOM 0 H GLN A 85 -32.107 2.855 -23.452 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.644 1.697 -22.566 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.020 2.472 -21.282 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.445 2.243 -20.287 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.132 0.191 -22.097 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.164 0.185 -20.345 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.201 -0.184 -19.232 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.487 -1.084 -20.043 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.965 4.855 -22.516 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.504 6.181 -22.241 1.00 0.00 C ATOM 1288 C ILE A 86 -35.574 6.561 -23.258 1.00 0.00 C ATOM 1289 O ILE A 86 -36.529 7.269 -22.937 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.397 7.252 -22.253 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.316 6.911 -21.225 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -33.986 8.626 -21.973 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.005 7.625 -21.467 1.00 0.00 C ATOM 0 H ILE A 86 -33.137 4.851 -23.111 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.949 6.141 -21.247 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.939 7.269 -23.242 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.680 7.165 -20.229 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.142 5.835 -21.236 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.191 9.372 -21.985 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.723 8.869 -22.739 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.467 8.623 -20.995 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.286 7.336 -20.701 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.618 7.352 -22.449 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.165 8.702 -21.426 1.00 0.00 H new ATOM 1305 N THR A 87 -35.409 6.085 -24.489 1.00 0.00 N ATOM 1306 CA THR A 87 -36.361 6.374 -25.554 1.00 0.00 C ATOM 1307 C THR A 87 -37.780 6.000 -25.140 1.00 0.00 C ATOM 1308 O THR A 87 -38.741 6.683 -25.493 1.00 0.00 O ATOM 1309 CB THR A 87 -36.001 5.622 -26.849 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.951 5.930 -27.875 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.971 4.120 -26.611 1.00 0.00 C ATOM 0 H THR A 87 -34.625 5.498 -24.772 1.00 0.00 H new ATOM 0 HA THR A 87 -36.311 7.447 -25.740 1.00 0.00 H new ATOM 0 HB THR A 87 -35.009 5.943 -27.166 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.714 5.449 -28.695 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.715 3.610 -27.539 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.225 3.887 -25.851 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.952 3.786 -26.272 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.904 4.910 -24.388 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.206 4.445 -23.925 1.00 0.00 C ATOM 1321 C VAL A 88 -39.784 5.388 -22.876 1.00 0.00 C ATOM 1322 O VAL A 88 -40.999 5.463 -22.698 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.116 3.027 -23.331 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.198 3.012 -22.119 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.502 2.514 -22.968 1.00 0.00 C ATOM 0 H VAL A 88 -37.119 4.333 -24.087 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.864 4.426 -24.794 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.693 2.362 -24.084 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.147 2.002 -21.713 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.200 3.335 -22.415 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.588 3.689 -21.359 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.421 1.511 -22.550 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.955 3.178 -22.232 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.125 2.485 -23.862 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.905 6.105 -22.184 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.329 7.044 -21.151 1.00 0.00 C ATOM 1337 C GLN A 89 -39.834 8.342 -21.770 1.00 0.00 C ATOM 1338 O GLN A 89 -40.883 8.859 -21.386 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.173 7.337 -20.193 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.507 6.087 -19.641 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.496 5.137 -18.995 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.471 3.931 -19.246 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.374 5.675 -18.157 1.00 0.00 N ATOM 0 H GLN A 89 -37.895 6.054 -22.319 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.146 6.587 -20.593 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.426 7.937 -20.712 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.544 7.938 -19.362 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.987 5.571 -20.448 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.753 6.375 -18.908 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.359 6.679 -17.978 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.063 5.084 -17.692 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.081 8.866 -22.731 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.452 10.105 -23.406 1.00 0.00 C ATOM 1354 C LYS A 90 -40.733 9.922 -24.212 1.00 0.00 C ATOM 1355 O LYS A 90 -41.601 10.795 -24.222 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.319 10.568 -24.325 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.077 11.022 -23.579 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.820 10.806 -24.405 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.761 11.758 -25.590 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.519 11.236 -26.760 1.00 0.00 N ATOM 0 H LYS A 90 -38.209 8.452 -23.061 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.628 10.866 -22.646 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.051 9.752 -24.997 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.679 11.388 -24.947 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.170 12.078 -23.325 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -36.995 10.474 -22.640 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -34.941 10.951 -23.777 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.791 9.777 -24.762 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.166 12.727 -25.298 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.721 11.920 -25.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -35.991 11.437 -27.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.647 10.209 -26.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.450 11.698 -26.805 1.00 0.00 H new