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= -2.8 K(o=-2.2,f=-5.5!) USER MOD Set 1.2: A 52 THR OG1 : rot 84:sc= 0.572 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= 0.993 USER MOD Set 3.1: A 29 ASN : amide:sc= -2.15 X(o=-4.3,f=-3.9) USER MOD Set 3.2: A 89 GLN : amide:sc= -2.16! C(o=-4.3!,f=-5.8!) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00314 USER MOD Single : A 35 THR OG1 : rot -98:sc= 0.0861 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= -0.0928 K(o=-0.093,f=-1.7!) 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 150:sc= -0.613 USER MOD Single : A 60 ASN : amide:sc= -2.86! C(o=-2.9!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0976 X(o=-0.098,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.038) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 66:sc= 0.112 USER MOD Single : A 76 CYS SG : rot 25:sc= -0.199 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= -1.42 X(o=-1.4,f=-1) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -0.219 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.479 1.235 -11.381 1.00 0.00 N ATOM 391 CA ILE A 28 -37.900 2.573 -11.407 1.00 0.00 C ATOM 392 C ILE A 28 -38.138 3.248 -12.753 1.00 0.00 C ATOM 393 O ILE A 28 -38.146 2.594 -13.795 1.00 0.00 O ATOM 394 CB ILE A 28 -36.386 2.537 -11.125 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.099 1.709 -9.870 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.843 3.949 -10.970 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.689 2.300 -8.609 1.00 0.00 C ATOM 0 HA ILE A 28 -38.394 3.146 -10.622 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.884 2.067 -11.971 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.495 0.703 -10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -35.020 1.613 -9.747 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.772 3.907 -10.771 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -36.020 4.510 -11.888 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.347 4.444 -10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.446 1.661 -7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.275 3.295 -8.445 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.772 2.371 -8.712 1.00 0.00 H new ATOM 409 N ASN A 29 -38.332 4.563 -12.724 1.00 0.00 N ATOM 410 CA ASN A 29 -38.569 5.328 -13.942 1.00 0.00 C ATOM 411 C ASN A 29 -38.123 6.777 -13.770 1.00 0.00 C ATOM 412 O ASN A 29 -38.091 7.299 -12.655 1.00 0.00 O ATOM 413 CB ASN A 29 -40.051 5.281 -14.318 1.00 0.00 C ATOM 414 CG ASN A 29 -40.590 3.864 -14.368 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.577 3.220 -15.417 1.00 0.00 O ATOM 416 ND2 ASN A 29 -41.068 3.372 -13.231 1.00 0.00 N ATOM 0 H ASN A 29 -38.330 5.120 -11.870 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.983 4.878 -14.743 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.625 5.860 -13.595 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.192 5.755 -15.289 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.444 2.424 -13.204 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -41.059 3.942 -12.385 1.00 0.00 H new ATOM 423 N ILE A 30 -37.780 7.421 -14.881 1.00 0.00 N ATOM 424 CA ILE A 30 -37.338 8.809 -14.853 1.00 0.00 C ATOM 425 C ILE A 30 -38.130 9.659 -15.841 1.00 0.00 C ATOM 426 O ILE A 30 -38.668 9.149 -16.824 1.00 0.00 O ATOM 427 CB ILE A 30 -35.837 8.929 -15.179 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.488 8.074 -16.399 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.000 8.514 -13.978 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.021 8.114 -16.766 1.00 0.00 C ATOM 0 H ILE A 30 -37.800 7.003 -15.811 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.513 9.175 -13.841 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.613 9.970 -15.412 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.777 7.041 -16.203 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.077 8.414 -17.251 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.942 8.604 -14.223 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.232 9.160 -13.132 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.225 7.480 -13.717 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.847 7.485 -17.639 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.731 9.140 -16.994 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.427 7.746 -15.930 1.00 0.00 H new ATOM 442 N THR A 31 -38.196 10.960 -15.574 1.00 0.00 N ATOM 443 CA THR A 31 -38.922 11.881 -16.439 1.00 0.00 C ATOM 444 C THR A 31 -38.095 13.128 -16.731 1.00 0.00 C ATOM 445 O THR A 31 -36.978 13.274 -16.234 1.00 0.00 O ATOM 446 CB THR A 31 -40.263 12.304 -15.810 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.100 12.512 -14.403 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.331 11.248 -16.052 1.00 0.00 C ATOM 0 H THR A 31 -37.755 11.399 -14.766 1.00 0.00 H new ATOM 0 HA THR A 31 -39.118 11.351 -17.371 1.00 0.00 H new ATOM 0 HB THR A 31 -40.582 13.235 -16.279 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.957 12.782 -14.011 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.269 11.569 -15.599 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.473 11.114 -17.124 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.017 10.304 -15.607 1.00 0.00 H new ATOM 456 N TYR A 32 -38.650 14.024 -17.539 1.00 0.00 N ATOM 457 CA TYR A 32 -37.962 15.258 -17.899 1.00 0.00 C ATOM 458 C TYR A 32 -37.777 16.154 -16.678 1.00 0.00 C ATOM 459 O TYR A 32 -36.950 17.067 -16.683 1.00 0.00 O ATOM 460 CB TYR A 32 -38.743 16.006 -18.980 1.00 0.00 C ATOM 461 CG TYR A 32 -38.237 15.748 -20.382 1.00 0.00 C ATOM 462 CD1 TYR A 32 -36.948 16.111 -20.753 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.047 15.142 -21.334 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.481 15.878 -22.032 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.588 14.903 -22.615 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.305 15.273 -22.959 1.00 0.00 C ATOM 467 OH TYR A 32 -36.844 15.038 -24.235 1.00 0.00 O ATOM 0 H TYR A 32 -39.574 13.919 -17.957 1.00 0.00 H new ATOM 0 HA TYR A 32 -36.978 14.995 -18.288 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.793 15.718 -18.923 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.695 17.076 -18.777 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.300 16.583 -20.029 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.053 14.853 -21.068 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.477 16.168 -22.305 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.230 14.429 -23.343 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.547 14.605 -24.762 1.00 0.00 H new ATOM 477 N ASP A 33 -38.551 15.886 -15.633 1.00 0.00 N ATOM 478 CA ASP A 33 -38.473 16.666 -14.403 1.00 0.00 C ATOM 479 C ASP A 33 -37.974 15.807 -13.246 1.00 0.00 C ATOM 480 O ASP A 33 -38.422 15.958 -12.109 1.00 0.00 O ATOM 481 CB ASP A 33 -39.842 17.258 -14.062 1.00 0.00 C ATOM 482 CG ASP A 33 -39.756 18.717 -13.657 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.143 19.505 -14.406 1.00 0.00 O ATOM 484 OD2 ASP A 33 -40.302 19.069 -12.590 1.00 0.00 O ATOM 0 H ASP A 33 -39.240 15.134 -15.612 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.764 17.478 -14.561 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.502 17.161 -14.924 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.291 16.684 -13.251 1.00 0.00 H new ATOM 489 N SER A 34 -37.045 14.904 -13.543 1.00 0.00 N ATOM 490 CA SER A 34 -36.488 14.017 -12.528 1.00 0.00 C ATOM 491 C SER A 34 -35.190 14.585 -11.964 1.00 0.00 C ATOM 492 O SER A 34 -34.631 15.542 -12.500 1.00 0.00 O ATOM 493 CB SER A 34 -36.237 12.628 -13.118 1.00 0.00 C ATOM 494 OG SER A 34 -37.415 11.841 -13.089 1.00 0.00 O ATOM 0 H SER A 34 -36.662 14.767 -14.478 1.00 0.00 H new ATOM 0 HA SER A 34 -37.210 13.934 -11.716 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.885 12.724 -14.145 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.448 12.128 -12.556 1.00 0.00 H new ATOM 0 HG SER A 34 -37.257 11.036 -12.553 1.00 0.00 H new ATOM 500 N THR A 35 -34.714 13.988 -10.875 1.00 0.00 N ATOM 501 CA THR A 35 -33.482 14.434 -10.236 1.00 0.00 C ATOM 502 C THR A 35 -32.293 13.594 -10.687 1.00 0.00 C ATOM 503 O THR A 35 -32.438 12.447 -11.111 1.00 0.00 O ATOM 504 CB THR A 35 -33.591 14.366 -8.701 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.198 13.069 -8.238 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.011 14.665 -8.245 1.00 0.00 C ATOM 0 H THR A 35 -35.163 13.195 -10.418 1.00 0.00 H new ATOM 0 HA THR A 35 -33.326 15.470 -10.537 1.00 0.00 H new ATOM 0 HB THR A 35 -32.925 15.118 -8.278 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.996 12.522 -8.081 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.063 14.611 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.295 15.665 -8.573 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.694 13.934 -8.678 1.00 0.00 H new ATOM 514 N PRO A 36 -31.088 14.175 -10.595 1.00 0.00 N ATOM 515 CA PRO A 36 -29.850 13.497 -10.989 1.00 0.00 C ATOM 516 C PRO A 36 -29.483 12.362 -10.039 1.00 0.00 C ATOM 517 O PRO A 36 -28.558 11.594 -10.303 1.00 0.00 O ATOM 518 CB PRO A 36 -28.800 14.609 -10.924 1.00 0.00 C ATOM 519 CG PRO A 36 -29.347 15.589 -9.944 1.00 0.00 C ATOM 520 CD PRO A 36 -30.842 15.540 -10.099 1.00 0.00 C ATOM 0 HA PRO A 36 -29.936 13.030 -11.970 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.834 14.223 -10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.649 15.068 -11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.052 15.330 -8.927 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.967 16.591 -10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.351 15.721 -9.152 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.198 16.293 -10.802 1.00 0.00 H new ATOM 528 N GLU A 37 -30.214 12.262 -8.933 1.00 0.00 N ATOM 529 CA GLU A 37 -29.964 11.220 -7.944 1.00 0.00 C ATOM 530 C GLU A 37 -30.846 10.002 -8.203 1.00 0.00 C ATOM 531 O GLU A 37 -30.504 8.882 -7.822 1.00 0.00 O ATOM 532 CB GLU A 37 -30.215 11.755 -6.533 1.00 0.00 C ATOM 533 CG GLU A 37 -29.285 11.168 -5.485 1.00 0.00 C ATOM 534 CD GLU A 37 -29.019 12.125 -4.339 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.774 13.110 -4.201 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.056 11.887 -3.580 1.00 0.00 O ATOM 0 H GLU A 37 -30.984 12.889 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.921 10.916 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.103 12.839 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.246 11.543 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.720 10.249 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.339 10.898 -5.955 1.00 0.00 H new ATOM 543 N ASP A 38 -31.983 10.229 -8.851 1.00 0.00 N ATOM 544 CA ASP A 38 -32.915 9.151 -9.162 1.00 0.00 C ATOM 545 C ASP A 38 -32.427 8.338 -10.357 1.00 0.00 C ATOM 546 O ASP A 38 -32.556 7.114 -10.383 1.00 0.00 O ATOM 547 CB ASP A 38 -34.306 9.717 -9.448 1.00 0.00 C ATOM 548 CG ASP A 38 -35.209 9.678 -8.231 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.674 8.575 -7.874 1.00 0.00 O ATOM 550 OD2 ASP A 38 -35.452 10.749 -7.636 1.00 0.00 O ATOM 0 H ASP A 38 -32.282 11.150 -9.171 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.971 8.492 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.212 10.746 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.767 9.150 -10.257 1.00 0.00 H new ATOM 555 N VAL A 39 -31.867 9.028 -11.346 1.00 0.00 N ATOM 556 CA VAL A 39 -31.360 8.370 -12.545 1.00 0.00 C ATOM 557 C VAL A 39 -30.324 7.308 -12.192 1.00 0.00 C ATOM 558 O VAL A 39 -30.266 6.250 -12.820 1.00 0.00 O ATOM 559 CB VAL A 39 -30.728 9.385 -13.516 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.261 8.689 -14.786 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.714 10.497 -13.840 1.00 0.00 C ATOM 0 H VAL A 39 -31.753 10.042 -11.341 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.212 7.895 -13.031 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.858 9.831 -13.033 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.817 9.422 -15.460 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.519 7.932 -14.534 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.112 8.215 -15.275 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.251 11.205 -14.527 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.604 10.071 -14.303 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -31.995 11.013 -12.922 1.00 0.00 H new ATOM 571 N LYS A 40 -29.509 7.596 -11.184 1.00 0.00 N ATOM 572 CA LYS A 40 -28.476 6.665 -10.745 1.00 0.00 C ATOM 573 C LYS A 40 -29.069 5.291 -10.455 1.00 0.00 C ATOM 574 O LYS A 40 -28.522 4.267 -10.865 1.00 0.00 O ATOM 575 CB LYS A 40 -27.773 7.203 -9.496 1.00 0.00 C ATOM 576 CG LYS A 40 -26.281 6.923 -9.470 1.00 0.00 C ATOM 577 CD LYS A 40 -25.606 7.603 -8.290 1.00 0.00 C ATOM 578 CE LYS A 40 -24.534 8.580 -8.748 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.370 8.600 -7.820 1.00 0.00 N ATOM 0 H LYS A 40 -29.543 8.467 -10.655 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.748 6.564 -11.550 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.933 8.279 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.233 6.761 -8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.113 5.847 -9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.829 7.270 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.353 8.132 -7.698 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.160 6.849 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.197 8.307 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.960 9.581 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.661 9.278 -8.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.687 8.885 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.947 7.651 -7.773 1.00 0.00 H new ATOM 593 N THR A 41 -30.194 5.274 -9.745 1.00 0.00 N ATOM 594 CA THR A 41 -30.862 4.025 -9.401 1.00 0.00 C ATOM 595 C THR A 41 -31.578 3.433 -10.609 1.00 0.00 C ATOM 596 O THR A 41 -31.622 2.215 -10.781 1.00 0.00 O ATOM 597 CB THR A 41 -31.880 4.228 -8.263 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.214 4.710 -7.090 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.602 2.928 -7.944 1.00 0.00 C ATOM 0 H THR A 41 -30.661 6.112 -9.397 1.00 0.00 H new ATOM 0 HA THR A 41 -30.088 3.334 -9.067 1.00 0.00 H new ATOM 0 HB THR A 41 -32.616 4.963 -8.590 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.868 4.838 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.316 3.097 -7.137 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.132 2.579 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.877 2.175 -7.635 1.00 0.00 H new ATOM 607 N TRP A 42 -32.137 4.302 -11.443 1.00 0.00 N ATOM 608 CA TRP A 42 -32.852 3.864 -12.637 1.00 0.00 C ATOM 609 C TRP A 42 -31.939 3.054 -13.551 1.00 0.00 C ATOM 610 O TRP A 42 -32.378 2.103 -14.198 1.00 0.00 O ATOM 611 CB TRP A 42 -33.411 5.070 -13.393 1.00 0.00 C ATOM 612 CG TRP A 42 -34.143 4.698 -14.647 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.425 4.237 -14.741 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.635 4.754 -15.984 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.745 4.003 -16.057 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.664 4.313 -16.839 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.413 5.136 -16.543 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.505 4.243 -18.221 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.256 5.066 -17.914 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.297 4.623 -18.740 1.00 0.00 C ATOM 0 H TRP A 42 -32.109 5.314 -11.315 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.678 3.227 -12.322 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.085 5.620 -12.737 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.592 5.743 -13.645 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.090 4.079 -13.904 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.642 3.655 -16.396 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.605 5.480 -15.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.306 3.901 -18.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.315 5.358 -18.356 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.143 4.580 -19.808 1.00 0.00 H new ATOM 631 N LEU A 43 -30.668 3.437 -13.600 1.00 0.00 N ATOM 632 CA LEU A 43 -29.693 2.745 -14.436 1.00 0.00 C ATOM 633 C LEU A 43 -29.293 1.410 -13.815 1.00 0.00 C ATOM 634 O LEU A 43 -29.168 0.404 -14.513 1.00 0.00 O ATOM 635 CB LEU A 43 -28.453 3.618 -14.637 1.00 0.00 C ATOM 636 CG LEU A 43 -28.701 5.014 -15.208 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.810 6.038 -14.523 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.468 5.024 -16.712 1.00 0.00 C ATOM 0 H LEU A 43 -30.289 4.222 -13.071 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.154 2.551 -15.404 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.949 3.724 -13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.767 3.092 -15.301 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.740 5.283 -15.019 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.001 7.025 -14.943 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.025 6.050 -13.454 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.764 5.773 -14.680 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.649 6.026 -17.102 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.439 4.733 -16.923 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.149 4.320 -17.190 1.00 0.00 H new ATOM 650 N GLN A 44 -29.098 1.409 -12.501 1.00 0.00 N ATOM 651 CA GLN A 44 -28.715 0.197 -11.786 1.00 0.00 C ATOM 652 C GLN A 44 -29.837 -0.835 -11.824 1.00 0.00 C ATOM 653 O GLN A 44 -29.602 -2.013 -12.093 1.00 0.00 O ATOM 654 CB GLN A 44 -28.356 0.526 -10.336 1.00 0.00 C ATOM 655 CG GLN A 44 -26.952 1.085 -10.168 1.00 0.00 C ATOM 656 CD GLN A 44 -25.915 0.000 -9.953 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.231 -1.190 -9.969 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.667 0.406 -9.748 1.00 0.00 N ATOM 0 H GLN A 44 -29.199 2.234 -11.909 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.841 -0.226 -12.281 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.074 1.248 -9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.453 -0.377 -9.733 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.688 1.665 -11.052 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -26.937 1.770 -9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.449 1.402 -9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.926 -0.279 -9.596 1.00 0.00 H new ATOM 667 N SER A 45 -31.058 -0.384 -11.552 1.00 0.00 N ATOM 668 CA SER A 45 -32.216 -1.269 -11.550 1.00 0.00 C ATOM 669 C SER A 45 -32.303 -2.054 -12.856 1.00 0.00 C ATOM 670 O SER A 45 -32.476 -3.273 -12.852 1.00 0.00 O ATOM 671 CB SER A 45 -33.500 -0.464 -11.340 1.00 0.00 C ATOM 672 OG SER A 45 -34.624 -1.151 -11.862 1.00 0.00 O ATOM 0 H SER A 45 -31.270 0.589 -11.330 1.00 0.00 H new ATOM 0 HA SER A 45 -32.100 -1.976 -10.728 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.646 -0.277 -10.276 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.407 0.508 -11.824 1.00 0.00 H new ATOM 0 HG SER A 45 -35.432 -0.616 -11.714 1.00 0.00 H new ATOM 678 N LYS A 46 -32.181 -1.345 -13.973 1.00 0.00 N ATOM 679 CA LYS A 46 -32.243 -1.972 -15.288 1.00 0.00 C ATOM 680 C LYS A 46 -31.120 -2.989 -15.460 1.00 0.00 C ATOM 681 O LYS A 46 -31.214 -3.900 -16.281 1.00 0.00 O ATOM 682 CB LYS A 46 -32.157 -0.910 -16.387 1.00 0.00 C ATOM 683 CG LYS A 46 -33.337 0.045 -16.404 1.00 0.00 C ATOM 684 CD LYS A 46 -34.625 -0.666 -16.781 1.00 0.00 C ATOM 685 CE LYS A 46 -35.666 0.308 -17.311 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.953 -0.372 -17.626 1.00 0.00 N ATOM 0 H LYS A 46 -32.039 -0.335 -13.994 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.197 -2.494 -15.369 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.239 -0.337 -16.256 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -32.088 -1.406 -17.355 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.448 0.505 -15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.144 0.850 -17.113 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.416 -1.423 -17.537 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -35.023 -1.187 -15.910 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.840 1.091 -16.573 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.284 0.795 -18.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.636 0.326 -17.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -36.792 -1.102 -18.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.331 -0.816 -16.765 1.00 0.00 H new ATOM 700 N GLY A 47 -30.057 -2.828 -14.677 1.00 0.00 N ATOM 701 CA GLY A 47 -28.931 -3.741 -14.758 1.00 0.00 C ATOM 702 C GLY A 47 -27.834 -3.229 -15.670 1.00 0.00 C ATOM 703 O GLY A 47 -27.319 -3.969 -16.509 1.00 0.00 O ATOM 0 H GLY A 47 -29.956 -2.082 -13.989 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.524 -3.901 -13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.277 -4.709 -15.120 1.00 0.00 H new ATOM 707 N PHE A 48 -27.476 -1.960 -15.508 1.00 0.00 N ATOM 708 CA PHE A 48 -26.435 -1.349 -16.326 1.00 0.00 C ATOM 709 C PHE A 48 -25.114 -1.284 -15.565 1.00 0.00 C ATOM 710 O PHE A 48 -25.095 -1.124 -14.345 1.00 0.00 O ATOM 711 CB PHE A 48 -26.856 0.057 -16.759 1.00 0.00 C ATOM 712 CG PHE A 48 -27.773 0.068 -17.949 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.280 -0.165 -19.222 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.128 0.313 -17.793 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.121 -0.155 -20.319 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.973 0.323 -18.886 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.469 0.090 -20.151 1.00 0.00 C ATOM 0 H PHE A 48 -27.891 -1.334 -14.818 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.294 -1.968 -17.212 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.351 0.553 -15.924 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.964 0.639 -16.992 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.226 -0.357 -19.359 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.528 0.498 -16.807 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.724 -0.339 -21.306 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.028 0.513 -18.751 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.128 0.100 -21.006 1.00 0.00 H new ATOM 727 N ASN A 49 -24.010 -1.411 -16.295 1.00 0.00 N ATOM 728 CA ASN A 49 -22.684 -1.369 -15.690 1.00 0.00 C ATOM 729 C ASN A 49 -22.523 -0.126 -14.819 1.00 0.00 C ATOM 730 O ASN A 49 -23.199 0.885 -15.007 1.00 0.00 O ATOM 731 CB ASN A 49 -21.605 -1.389 -16.774 1.00 0.00 C ATOM 732 CG ASN A 49 -21.559 -0.099 -17.569 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.468 0.728 -17.484 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.498 0.079 -18.347 1.00 0.00 N ATOM 0 H ASN A 49 -24.008 -1.544 -17.306 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.572 -2.251 -15.059 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.633 -1.562 -16.312 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.790 -2.223 -17.451 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.412 0.928 -18.906 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.769 -0.633 -18.386 1.00 0.00 H new ATOM 741 N PRO A 50 -21.605 -0.202 -13.844 1.00 0.00 N ATOM 742 CA PRO A 50 -21.332 0.908 -12.926 1.00 0.00 C ATOM 743 C PRO A 50 -20.641 2.077 -13.619 1.00 0.00 C ATOM 744 O PRO A 50 -20.785 3.228 -13.208 1.00 0.00 O ATOM 745 CB PRO A 50 -20.406 0.283 -11.880 1.00 0.00 C ATOM 746 CG PRO A 50 -19.747 -0.852 -12.586 1.00 0.00 C ATOM 747 CD PRO A 50 -20.763 -1.377 -13.563 1.00 0.00 C ATOM 0 HA PRO A 50 -22.248 1.327 -12.509 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.673 1.004 -11.519 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.966 -0.063 -11.012 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.845 -0.521 -13.101 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.445 -1.627 -11.882 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.290 -1.758 -14.468 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.344 -2.195 -13.138 1.00 0.00 H new ATOM 755 N VAL A 51 -19.891 1.774 -14.674 1.00 0.00 N ATOM 756 CA VAL A 51 -19.179 2.801 -15.425 1.00 0.00 C ATOM 757 C VAL A 51 -20.147 3.813 -16.026 1.00 0.00 C ATOM 758 O VAL A 51 -19.778 4.955 -16.304 1.00 0.00 O ATOM 759 CB VAL A 51 -18.332 2.184 -16.554 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.678 3.275 -17.388 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.285 1.241 -15.980 1.00 0.00 C ATOM 0 H VAL A 51 -19.761 0.826 -15.028 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.519 3.308 -14.721 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.990 1.607 -17.204 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -17.084 2.820 -18.181 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.449 3.907 -17.829 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -17.032 3.881 -16.753 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.696 0.814 -16.792 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.629 1.792 -15.306 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.779 0.440 -15.430 1.00 0.00 H new ATOM 771 N THR A 52 -21.391 3.387 -16.226 1.00 0.00 N ATOM 772 CA THR A 52 -22.414 4.256 -16.795 1.00 0.00 C ATOM 773 C THR A 52 -23.195 4.975 -15.702 1.00 0.00 C ATOM 774 O THR A 52 -23.461 6.173 -15.800 1.00 0.00 O ATOM 775 CB THR A 52 -23.397 3.463 -17.677 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.710 2.916 -18.808 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.537 4.352 -18.150 1.00 0.00 C ATOM 0 H THR A 52 -21.714 2.446 -16.002 1.00 0.00 H new ATOM 0 HA THR A 52 -21.897 4.992 -17.411 1.00 0.00 H new ATOM 0 HB THR A 52 -23.814 2.652 -17.080 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.283 2.071 -18.554 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.218 3.770 -18.771 1.00 0.00 H new ATOM 0 HG22 THR A 52 -25.076 4.742 -17.287 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.134 5.181 -18.732 1.00 0.00 H new ATOM 785 N VAL A 53 -23.560 4.236 -14.658 1.00 0.00 N ATOM 786 CA VAL A 53 -24.310 4.805 -13.544 1.00 0.00 C ATOM 787 C VAL A 53 -23.505 5.889 -12.836 1.00 0.00 C ATOM 788 O VAL A 53 -24.059 6.713 -12.110 1.00 0.00 O ATOM 789 CB VAL A 53 -24.702 3.722 -12.522 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.538 4.323 -11.402 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.450 2.588 -13.207 1.00 0.00 C ATOM 0 H VAL A 53 -23.349 3.243 -14.561 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.215 5.245 -13.963 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.791 3.313 -12.085 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.806 3.543 -10.689 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -24.963 5.097 -10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.445 4.760 -11.819 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.719 1.832 -12.469 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.355 2.978 -13.673 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.813 2.140 -13.970 1.00 0.00 H new ATOM 801 N ASN A 54 -22.194 5.882 -13.054 1.00 0.00 N ATOM 802 CA ASN A 54 -21.311 6.865 -12.437 1.00 0.00 C ATOM 803 C ASN A 54 -21.191 8.112 -13.308 1.00 0.00 C ATOM 804 O ASN A 54 -21.137 9.233 -12.802 1.00 0.00 O ATOM 805 CB ASN A 54 -19.926 6.260 -12.199 1.00 0.00 C ATOM 806 CG ASN A 54 -19.550 6.238 -10.730 1.00 0.00 C ATOM 807 OD1 ASN A 54 -18.981 7.197 -10.209 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.866 5.138 -10.055 1.00 0.00 N ATOM 0 H ASN A 54 -21.720 5.207 -13.653 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.743 7.153 -11.479 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.904 5.244 -12.592 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.182 6.832 -12.753 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.637 5.064 -9.064 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.338 4.367 -10.528 1.00 0.00 H new ATOM 815 N SER A 55 -21.151 7.907 -14.621 1.00 0.00 N ATOM 816 CA SER A 55 -21.035 9.014 -15.564 1.00 0.00 C ATOM 817 C SER A 55 -22.382 9.701 -15.764 1.00 0.00 C ATOM 818 O SER A 55 -22.452 10.919 -15.934 1.00 0.00 O ATOM 819 CB SER A 55 -20.500 8.513 -16.907 1.00 0.00 C ATOM 820 OG SER A 55 -19.704 9.500 -17.539 1.00 0.00 O ATOM 0 H SER A 55 -21.197 6.985 -15.056 1.00 0.00 H new ATOM 0 HA SER A 55 -20.335 9.740 -15.150 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.910 7.610 -16.753 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.333 8.243 -17.556 1.00 0.00 H new ATOM 0 HG SER A 55 -19.018 9.065 -18.087 1.00 0.00 H new ATOM 826 N LEU A 56 -23.451 8.913 -15.742 1.00 0.00 N ATOM 827 CA LEU A 56 -24.797 9.444 -15.920 1.00 0.00 C ATOM 828 C LEU A 56 -25.558 9.456 -14.598 1.00 0.00 C ATOM 829 O LEU A 56 -26.788 9.481 -14.578 1.00 0.00 O ATOM 830 CB LEU A 56 -25.561 8.613 -16.953 1.00 0.00 C ATOM 831 CG LEU A 56 -24.816 8.308 -18.253 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.595 7.308 -19.093 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.568 9.588 -19.038 1.00 0.00 C ATOM 0 H LEU A 56 -23.411 7.903 -15.603 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.712 10.470 -16.278 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.846 7.668 -16.491 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.484 9.137 -17.201 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.852 7.867 -18.002 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.049 7.103 -20.014 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.721 6.382 -18.532 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.574 7.721 -19.336 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.037 9.352 -19.960 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.522 10.058 -19.279 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.968 10.272 -18.438 1.00 0.00 H new ATOM 845 N GLY A 57 -24.816 9.439 -13.494 1.00 0.00 N ATOM 846 CA GLY A 57 -25.438 9.451 -12.183 1.00 0.00 C ATOM 847 C GLY A 57 -25.440 10.831 -11.555 1.00 0.00 C ATOM 848 O GLY A 57 -25.812 10.991 -10.392 1.00 0.00 O ATOM 0 H GLY A 57 -23.796 9.417 -13.485 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.464 9.092 -12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.911 8.758 -11.528 1.00 0.00 H new ATOM 852 N VAL A 58 -25.021 11.830 -12.325 1.00 0.00 N ATOM 853 CA VAL A 58 -24.976 13.204 -11.837 1.00 0.00 C ATOM 854 C VAL A 58 -25.913 14.102 -12.635 1.00 0.00 C ATOM 855 O VAL A 58 -26.260 15.201 -12.199 1.00 0.00 O ATOM 856 CB VAL A 58 -23.548 13.777 -11.908 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.678 13.183 -10.811 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.940 13.523 -13.279 1.00 0.00 C ATOM 0 H VAL A 58 -24.708 11.714 -13.289 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.300 13.182 -10.796 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.600 14.855 -11.753 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.673 13.600 -10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.106 13.422 -9.838 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.630 12.101 -10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.931 13.934 -13.312 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.901 12.450 -13.466 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.552 14.002 -14.043 1.00 0.00 H new ATOM 868 N LEU A 59 -26.322 13.628 -13.807 1.00 0.00 N ATOM 869 CA LEU A 59 -27.221 14.389 -14.668 1.00 0.00 C ATOM 870 C LEU A 59 -28.678 14.066 -14.353 1.00 0.00 C ATOM 871 O LEU A 59 -29.037 12.908 -14.144 1.00 0.00 O ATOM 872 CB LEU A 59 -26.927 14.088 -16.139 1.00 0.00 C ATOM 873 CG LEU A 59 -25.604 14.629 -16.683 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.461 14.303 -18.161 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.508 16.130 -16.454 1.00 0.00 C ATOM 0 H LEU A 59 -26.046 12.721 -14.183 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.053 15.450 -14.480 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.939 13.007 -16.277 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.739 14.495 -16.742 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.788 14.146 -16.146 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.514 14.696 -18.530 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.484 13.222 -18.299 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.283 14.757 -18.715 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.560 16.498 -16.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.331 16.629 -16.965 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.563 16.339 -15.386 1.00 0.00 H new ATOM 887 N ASN A 60 -29.514 15.099 -14.323 1.00 0.00 N ATOM 888 CA ASN A 60 -30.934 14.925 -14.035 1.00 0.00 C ATOM 889 C ASN A 60 -31.654 14.287 -15.219 1.00 0.00 C ATOM 890 O ASN A 60 -31.135 14.259 -16.334 1.00 0.00 O ATOM 891 CB ASN A 60 -31.576 16.273 -13.699 1.00 0.00 C ATOM 892 CG ASN A 60 -31.345 17.310 -14.781 1.00 0.00 C ATOM 893 OD1 ASN A 60 -31.986 17.281 -15.831 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.424 18.233 -14.529 1.00 0.00 N ATOM 0 H ASN A 60 -29.233 16.065 -14.494 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.027 14.261 -13.175 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.648 16.136 -13.554 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.171 16.640 -12.756 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.224 18.956 -15.220 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.916 18.219 -13.644 1.00 0.00 H new ATOM 901 N GLY A 61 -32.856 13.776 -14.968 1.00 0.00 N ATOM 902 CA GLY A 61 -33.629 13.146 -16.022 1.00 0.00 C ATOM 903 C GLY A 61 -33.761 14.026 -17.249 1.00 0.00 C ATOM 904 O GLY A 61 -33.737 13.536 -18.378 1.00 0.00 O ATOM 0 H GLY A 61 -33.308 13.787 -14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.156 12.205 -16.303 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.622 12.903 -15.644 1.00 0.00 H new ATOM 908 N ALA A 62 -33.903 15.329 -17.029 1.00 0.00 N ATOM 909 CA ALA A 62 -34.039 16.279 -18.126 1.00 0.00 C ATOM 910 C ALA A 62 -32.811 16.253 -19.030 1.00 0.00 C ATOM 911 O ALA A 62 -32.924 16.058 -20.240 1.00 0.00 O ATOM 912 CB ALA A 62 -34.269 17.682 -17.584 1.00 0.00 C ATOM 0 H ALA A 62 -33.927 15.751 -16.101 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.903 15.986 -18.723 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.369 18.381 -18.414 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.180 17.696 -16.986 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.423 17.975 -16.963 1.00 0.00 H new ATOM 918 N GLN A 63 -31.639 16.451 -18.434 1.00 0.00 N ATOM 919 CA GLN A 63 -30.391 16.452 -19.187 1.00 0.00 C ATOM 920 C GLN A 63 -30.172 15.110 -19.880 1.00 0.00 C ATOM 921 O GLN A 63 -29.894 15.056 -21.078 1.00 0.00 O ATOM 922 CB GLN A 63 -29.213 16.760 -18.262 1.00 0.00 C ATOM 923 CG GLN A 63 -29.272 18.147 -17.643 1.00 0.00 C ATOM 924 CD GLN A 63 -28.283 19.109 -18.271 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.544 19.802 -17.571 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.263 19.156 -19.598 1.00 0.00 N ATOM 0 H GLN A 63 -31.528 16.613 -17.433 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.457 17.228 -19.950 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.183 16.017 -17.465 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.285 16.661 -18.825 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.280 18.546 -17.751 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.072 18.072 -16.574 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.893 18.564 -20.139 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.617 19.784 -20.076 1.00 0.00 H new ATOM 935 N LEU A 64 -30.297 14.030 -19.117 1.00 0.00 N ATOM 936 CA LEU A 64 -30.113 12.687 -19.657 1.00 0.00 C ATOM 937 C LEU A 64 -31.042 12.444 -20.843 1.00 0.00 C ATOM 938 O LEU A 64 -30.662 11.801 -21.821 1.00 0.00 O ATOM 939 CB LEU A 64 -30.368 11.640 -18.572 1.00 0.00 C ATOM 940 CG LEU A 64 -30.287 10.179 -19.016 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.328 9.403 -18.127 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.668 9.539 -19.000 1.00 0.00 C ATOM 0 H LEU A 64 -30.525 14.058 -18.123 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.083 12.600 -20.002 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.647 11.795 -17.769 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.358 11.816 -18.151 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.907 10.151 -20.037 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.284 8.366 -18.458 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.334 9.847 -18.189 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.678 9.440 -17.095 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.591 8.500 -19.319 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.076 9.580 -17.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.327 10.079 -19.680 1.00 0.00 H new ATOM 954 N PHE A 65 -32.261 12.965 -20.749 1.00 0.00 N ATOM 955 CA PHE A 65 -33.244 12.806 -21.814 1.00 0.00 C ATOM 956 C PHE A 65 -32.804 13.543 -23.075 1.00 0.00 C ATOM 957 O PHE A 65 -33.239 13.220 -24.180 1.00 0.00 O ATOM 958 CB PHE A 65 -34.610 13.324 -21.357 1.00 0.00 C ATOM 959 CG PHE A 65 -35.426 12.297 -20.625 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.809 11.311 -19.872 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.810 12.319 -20.689 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.558 10.365 -19.199 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.564 11.375 -20.017 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.937 10.397 -19.270 1.00 0.00 C ATOM 0 H PHE A 65 -32.591 13.501 -19.946 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.324 11.744 -22.045 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.464 14.189 -20.710 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.169 13.668 -22.227 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.731 11.282 -19.811 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.305 13.082 -21.271 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.065 9.600 -18.617 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.642 11.402 -20.076 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.524 9.659 -18.743 1.00 0.00 H new ATOM 974 N SER A 66 -31.939 14.537 -22.901 1.00 0.00 N ATOM 975 CA SER A 66 -31.442 15.324 -24.023 1.00 0.00 C ATOM 976 C SER A 66 -30.334 14.579 -24.761 1.00 0.00 C ATOM 977 O SER A 66 -30.140 14.762 -25.963 1.00 0.00 O ATOM 978 CB SER A 66 -30.924 16.678 -23.535 1.00 0.00 C ATOM 979 OG SER A 66 -31.464 17.738 -24.305 1.00 0.00 O ATOM 0 H SER A 66 -31.568 14.816 -21.993 1.00 0.00 H new ATOM 0 HA SER A 66 -32.269 15.487 -24.714 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.187 16.815 -22.486 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.836 16.698 -23.596 1.00 0.00 H new ATOM 0 HG SER A 66 -31.119 18.593 -23.972 1.00 0.00 H new ATOM 985 N LEU A 67 -29.609 13.738 -24.032 1.00 0.00 N ATOM 986 CA LEU A 67 -28.518 12.963 -24.615 1.00 0.00 C ATOM 987 C LEU A 67 -29.053 11.918 -25.589 1.00 0.00 C ATOM 988 O LEU A 67 -29.868 11.073 -25.221 1.00 0.00 O ATOM 989 CB LEU A 67 -27.704 12.282 -23.514 1.00 0.00 C ATOM 990 CG LEU A 67 -27.166 13.197 -22.413 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.412 12.389 -21.369 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.270 14.275 -23.006 1.00 0.00 C ATOM 0 H LEU A 67 -29.756 13.575 -23.036 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.872 13.648 -25.164 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.326 11.516 -23.051 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.861 11.770 -23.977 1.00 0.00 H new ATOM 0 HG LEU A 67 -28.011 13.683 -21.925 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.036 13.057 -20.594 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.083 11.655 -20.922 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.575 11.875 -21.842 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.896 14.917 -22.208 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.430 13.808 -23.520 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.842 14.873 -23.715 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.587 11.981 -26.832 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.017 11.038 -27.858 1.00 0.00 C ATOM 1006 C ASN A 68 -28.106 9.814 -27.889 1.00 0.00 C ATOM 1007 O ASN A 68 -27.262 9.632 -27.011 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.027 11.715 -29.230 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.305 13.203 -29.138 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.458 13.627 -29.061 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.246 14.004 -29.145 1.00 0.00 N ATOM 0 H ASN A 68 -27.912 12.675 -27.153 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.028 10.710 -27.614 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.065 11.557 -29.717 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.783 11.245 -29.859 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.371 15.015 -29.085 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.308 13.609 -29.210 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.283 8.979 -28.907 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.476 7.773 -29.055 1.00 0.00 C ATOM 1020 C LYS A 69 -25.998 8.121 -29.198 1.00 0.00 C ATOM 1021 O LYS A 69 -25.128 7.284 -28.955 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.942 6.970 -30.273 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.479 5.524 -30.260 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.640 4.875 -31.625 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.107 3.450 -31.632 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.148 2.849 -32.993 1.00 0.00 N ATOM 0 H LYS A 69 -28.978 9.115 -29.642 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.603 7.168 -28.157 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.031 6.994 -30.319 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.574 7.453 -31.178 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.433 5.478 -29.955 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.051 4.964 -29.520 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.693 4.872 -31.905 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.112 5.465 -32.374 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.081 3.444 -31.263 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.695 2.839 -30.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -26.777 1.878 -32.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.130 2.831 -33.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -26.566 3.417 -33.641 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.722 9.359 -29.591 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.348 9.818 -29.763 1.00 0.00 C ATOM 1042 C ASP A 70 -23.774 10.320 -28.442 1.00 0.00 C ATOM 1043 O ASP A 70 -22.756 9.818 -27.967 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.286 10.927 -30.814 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.257 10.647 -31.891 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -22.262 9.953 -31.595 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -23.446 11.122 -33.030 1.00 0.00 O ATOM 0 H ASP A 70 -26.431 10.063 -29.797 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.748 8.973 -30.102 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.267 11.043 -31.274 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.049 11.873 -30.327 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.434 11.314 -27.855 1.00 0.00 N ATOM 1053 CA GLU A 71 -23.986 11.885 -26.590 1.00 0.00 C ATOM 1054 C GLU A 71 -23.769 10.792 -25.547 1.00 0.00 C ATOM 1055 O GLU A 71 -22.743 10.765 -24.865 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.007 12.901 -26.074 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.135 14.135 -26.951 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.963 15.425 -26.173 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.976 15.532 -25.414 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -25.814 16.326 -26.321 1.00 0.00 O ATOM 0 H GLU A 71 -25.279 11.740 -28.235 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.037 12.391 -26.765 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.981 12.418 -25.997 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.724 13.209 -25.067 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.389 14.091 -27.744 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.113 14.134 -27.433 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.740 9.893 -25.429 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.656 8.798 -24.469 1.00 0.00 C ATOM 1069 C LEU A 72 -23.538 7.830 -24.844 1.00 0.00 C ATOM 1070 O LEU A 72 -22.911 7.224 -23.975 1.00 0.00 O ATOM 1071 CB LEU A 72 -25.990 8.052 -24.398 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.075 8.699 -23.537 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.444 8.511 -24.173 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.055 8.119 -22.130 1.00 0.00 C ATOM 0 H LEU A 72 -25.594 9.901 -25.986 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.432 9.222 -23.490 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.376 7.941 -25.411 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.802 7.048 -24.017 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.871 9.768 -23.472 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.204 8.978 -23.546 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.453 8.974 -25.160 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.657 7.446 -24.269 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.834 8.591 -21.531 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.234 7.045 -22.177 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.083 8.305 -21.673 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.294 7.691 -26.143 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.251 6.797 -26.633 1.00 0.00 C ATOM 1088 C ARG A 73 -20.869 7.411 -26.429 1.00 0.00 C ATOM 1089 O ARG A 73 -19.866 6.700 -26.355 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.470 6.488 -28.115 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.328 5.711 -28.750 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.823 4.811 -29.871 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.812 3.839 -30.279 1.00 0.00 N ATOM 1094 CZ ARG A 73 -21.086 2.741 -30.975 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -22.334 2.477 -31.337 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -20.111 1.905 -31.309 1.00 0.00 N ATOM 0 H ARG A 73 -23.804 8.186 -26.875 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.305 5.869 -26.064 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.392 5.918 -28.226 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.607 7.424 -28.656 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.586 6.407 -29.141 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.830 5.108 -27.991 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.720 4.285 -29.544 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.106 5.422 -30.728 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.842 4.013 -30.015 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -23.086 3.117 -31.081 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.542 1.634 -31.871 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.150 2.105 -31.031 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.322 1.062 -31.843 1.00 0.00 H new ATOM 1110 N THR A 74 -20.823 8.737 -26.339 1.00 0.00 N ATOM 1111 CA THR A 74 -19.565 9.447 -26.145 1.00 0.00 C ATOM 1112 C THR A 74 -19.168 9.469 -24.674 1.00 0.00 C ATOM 1113 O THR A 74 -17.991 9.337 -24.336 1.00 0.00 O ATOM 1114 CB THR A 74 -19.652 10.894 -26.664 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.020 11.309 -26.734 1.00 0.00 O ATOM 1116 CG2 THR A 74 -19.009 11.016 -28.038 1.00 0.00 C ATOM 0 H THR A 74 -21.643 9.341 -26.397 1.00 0.00 H new ATOM 0 HA THR A 74 -18.807 8.910 -26.715 1.00 0.00 H new ATOM 0 HB THR A 74 -19.113 11.538 -25.969 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.394 11.358 -25.829 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.083 12.047 -28.384 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.960 10.728 -27.975 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.524 10.360 -28.740 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.156 9.637 -23.801 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.909 9.675 -22.364 1.00 0.00 C ATOM 1126 C VAL A 75 -19.513 8.300 -21.838 1.00 0.00 C ATOM 1127 O VAL A 75 -18.673 8.184 -20.945 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.148 10.170 -21.595 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.345 9.276 -21.878 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.858 10.232 -20.103 1.00 0.00 C ATOM 0 H VAL A 75 -21.135 9.749 -24.064 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.087 10.373 -22.202 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.389 11.176 -21.937 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.211 9.642 -21.326 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.564 9.288 -22.946 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.120 8.256 -21.566 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.744 10.584 -19.574 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.591 9.239 -19.743 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.031 10.918 -19.921 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.124 7.261 -22.397 1.00 0.00 N ATOM 1141 CA CYS A 76 -19.836 5.892 -21.984 1.00 0.00 C ATOM 1142 C CYS A 76 -20.074 4.916 -23.132 1.00 0.00 C ATOM 1143 O CYS A 76 -20.797 5.206 -24.085 1.00 0.00 O ATOM 1144 CB CYS A 76 -20.701 5.507 -20.783 1.00 0.00 C ATOM 1145 SG CYS A 76 -20.028 6.032 -19.189 1.00 0.00 S ATOM 0 H CYS A 76 -20.822 7.340 -23.137 1.00 0.00 H new ATOM 0 HA CYS A 76 -18.786 5.838 -21.698 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -21.692 5.943 -20.908 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.828 4.424 -20.773 1.00 0.00 H new ATOM 0 HG CYS A 76 -19.243 7.054 -19.364 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.450 3.732 -23.041 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.577 2.690 -24.064 1.00 0.00 C ATOM 1153 C PRO A 77 -20.969 2.066 -24.085 1.00 0.00 C ATOM 1154 O PRO A 77 -21.364 1.443 -25.070 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.532 1.653 -23.646 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.368 1.850 -22.178 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.572 3.320 -21.933 1.00 0.00 C ATOM 0 HA PRO A 77 -19.427 3.084 -25.069 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.865 0.641 -23.875 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.590 1.805 -24.173 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.093 1.257 -21.621 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.378 1.533 -21.850 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.035 3.505 -20.964 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.628 3.864 -21.945 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.706 2.238 -22.992 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.053 1.690 -22.887 1.00 0.00 C ATOM 1167 C GLU A 78 -24.096 2.728 -23.294 1.00 0.00 C ATOM 1168 O GLU A 78 -25.257 2.646 -22.895 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.323 1.213 -21.458 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.193 0.386 -20.869 1.00 0.00 C ATOM 1171 CD GLU A 78 -21.678 -0.667 -21.831 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -22.505 -1.284 -22.534 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -20.447 -0.873 -21.880 1.00 0.00 O ATOM 0 H GLU A 78 -21.393 2.752 -22.168 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.126 0.841 -23.566 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.497 2.080 -20.821 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.238 0.621 -21.448 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.373 1.047 -20.587 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.540 -0.099 -19.957 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.671 3.704 -24.091 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.579 4.744 -24.538 1.00 0.00 C ATOM 1182 C GLY A 79 -25.766 4.189 -25.300 1.00 0.00 C ATOM 1183 O GLY A 79 -26.913 4.360 -24.886 1.00 0.00 O ATOM 0 H GLY A 79 -22.715 3.793 -24.435 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.936 5.306 -23.675 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.039 5.445 -25.174 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.492 3.523 -26.417 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.547 2.941 -27.238 1.00 0.00 C ATOM 1189 C ALA A 80 -27.441 2.023 -26.412 1.00 0.00 C ATOM 1190 O ALA A 80 -28.615 1.833 -26.731 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.944 2.181 -28.410 1.00 0.00 C ATOM 0 H ALA A 80 -24.548 3.373 -26.774 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.163 3.753 -27.625 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.743 1.752 -29.015 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.353 2.863 -29.021 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.303 1.383 -28.035 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.879 1.455 -25.350 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.626 0.554 -24.480 1.00 0.00 C ATOM 1199 C ARG A 81 -28.524 1.339 -23.529 1.00 0.00 C ATOM 1200 O ARG A 81 -29.573 0.853 -23.107 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.666 -0.329 -23.681 1.00 0.00 C ATOM 1202 CG ARG A 81 -25.680 -1.096 -24.547 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.310 -2.351 -25.131 1.00 0.00 C ATOM 1204 NE ARG A 81 -25.541 -2.878 -26.255 1.00 0.00 N ATOM 1205 CZ ARG A 81 -25.980 -3.839 -27.060 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -27.176 -4.376 -26.866 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -25.221 -4.265 -28.062 1.00 0.00 N ATOM 0 H ARG A 81 -25.909 1.603 -25.071 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.255 -0.079 -25.106 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.112 0.294 -22.979 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.245 -1.038 -23.089 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.328 -0.455 -25.355 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -24.808 -1.368 -23.953 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.386 -3.113 -24.355 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.325 -2.128 -25.459 1.00 0.00 H new ATOM 0 HE ARG A 81 -24.616 -2.487 -26.432 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -27.762 -4.051 -26.097 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -27.510 -5.114 -27.486 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -24.300 -3.854 -28.214 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -25.559 -5.003 -28.680 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.104 2.555 -23.194 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.870 3.407 -22.292 1.00 0.00 C ATOM 1223 C VAL A 82 -29.947 4.177 -23.048 1.00 0.00 C ATOM 1224 O VAL A 82 -31.099 4.239 -22.617 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.959 4.407 -21.556 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.783 5.325 -20.666 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.905 3.670 -20.745 1.00 0.00 C ATOM 0 H VAL A 82 -27.237 2.972 -23.534 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.342 2.751 -21.560 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.449 5.022 -22.298 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.122 6.025 -20.154 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.496 5.879 -21.276 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.322 4.730 -19.929 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.270 4.392 -20.232 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.393 3.029 -20.011 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.295 3.059 -21.411 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.565 4.764 -24.177 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.498 5.533 -24.992 1.00 0.00 C ATOM 1239 C TYR A 83 -31.736 4.707 -25.329 1.00 0.00 C ATOM 1240 O TYR A 83 -32.862 5.198 -25.253 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.817 6.000 -26.279 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.744 6.735 -27.222 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.128 8.046 -26.970 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.235 6.117 -28.366 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -31.975 8.720 -27.828 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.081 6.784 -29.231 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.448 8.085 -28.957 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.291 8.753 -29.815 1.00 0.00 O ATOM 0 H TYR A 83 -28.616 4.722 -24.548 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.811 6.405 -24.417 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.982 6.652 -26.022 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.400 5.135 -26.794 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.758 8.547 -26.088 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.950 5.098 -28.582 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.265 9.738 -27.616 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.453 6.290 -30.116 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.531 8.165 -30.561 1.00 0.00 H new ATOM 1258 N SER A 84 -31.517 3.450 -25.701 1.00 0.00 N ATOM 1259 CA SER A 84 -32.614 2.555 -26.052 1.00 0.00 C ATOM 1260 C SER A 84 -33.552 2.353 -24.867 1.00 0.00 C ATOM 1261 O SER A 84 -34.713 1.983 -25.037 1.00 0.00 O ATOM 1262 CB SER A 84 -32.068 1.205 -26.521 1.00 0.00 C ATOM 1263 OG SER A 84 -31.725 1.243 -27.896 1.00 0.00 O ATOM 0 H SER A 84 -30.591 3.028 -25.767 1.00 0.00 H new ATOM 0 HA SER A 84 -33.178 3.013 -26.864 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.191 0.939 -25.931 1.00 0.00 H new ATOM 0 HB3 SER A 84 -32.814 0.429 -26.350 1.00 0.00 H new ATOM 0 HG SER A 84 -31.377 0.369 -28.171 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.039 2.599 -23.665 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.830 2.443 -22.451 1.00 0.00 C ATOM 1271 C GLN A 85 -34.526 3.750 -22.083 1.00 0.00 C ATOM 1272 O GLN A 85 -35.532 3.749 -21.373 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.942 1.983 -21.294 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.689 0.484 -21.280 1.00 0.00 C ATOM 1275 CD GLN A 85 -33.972 -0.324 -21.276 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.507 -0.667 -22.331 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.472 -0.634 -20.086 1.00 0.00 N ATOM 0 H GLN A 85 -32.080 2.907 -23.507 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.592 1.686 -22.639 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -31.986 2.504 -21.351 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.407 2.273 -20.352 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.095 0.211 -22.152 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.099 0.227 -20.400 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -33.995 -0.329 -19.237 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.333 -1.177 -20.020 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.985 4.861 -22.571 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.555 6.173 -22.295 1.00 0.00 C ATOM 1288 C ILE A 86 -35.635 6.529 -23.311 1.00 0.00 C ATOM 1289 O ILE A 86 -36.605 7.215 -22.989 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.474 7.270 -22.305 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.385 6.954 -21.279 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.097 8.630 -22.024 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.085 7.684 -21.532 1.00 0.00 C ATOM 0 H ILE A 86 -33.152 4.878 -23.160 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.999 6.121 -21.301 1.00 0.00 H new ATOM 0 HB ILE A 86 -33.016 7.299 -23.294 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.749 7.211 -20.284 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.196 5.881 -21.281 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.321 9.395 -22.034 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.839 8.856 -22.790 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.578 8.615 -21.046 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.360 7.411 -20.766 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.698 7.408 -22.513 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.259 8.759 -21.500 1.00 0.00 H new ATOM 1305 N THR A 87 -35.461 6.055 -24.541 1.00 0.00 N ATOM 1306 CA THR A 87 -36.420 6.322 -25.606 1.00 0.00 C ATOM 1307 C THR A 87 -37.829 5.910 -25.192 1.00 0.00 C ATOM 1308 O THR A 87 -38.808 6.563 -25.552 1.00 0.00 O ATOM 1309 CB THR A 87 -36.041 5.582 -26.902 1.00 0.00 C ATOM 1310 OG1 THR A 87 -37.003 5.861 -27.925 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.966 4.081 -26.666 1.00 0.00 C ATOM 0 H THR A 87 -34.665 5.484 -24.824 1.00 0.00 H new ATOM 0 HA THR A 87 -36.397 7.396 -25.790 1.00 0.00 H new ATOM 0 HB THR A 87 -35.060 5.933 -27.221 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.754 5.388 -28.746 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.697 3.580 -27.596 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.212 3.869 -25.908 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.935 3.717 -26.325 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.924 4.823 -24.434 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.213 4.325 -23.969 1.00 0.00 C ATOM 1321 C VAL A 88 -39.802 5.238 -22.900 1.00 0.00 C ATOM 1322 O VAL A 88 -41.016 5.274 -22.701 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.092 2.898 -23.401 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.175 2.883 -22.188 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.466 2.348 -23.049 1.00 0.00 C ATOM 0 H VAL A 88 -37.123 4.270 -24.129 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.876 4.309 -24.834 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.654 2.256 -24.165 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.101 1.867 -21.800 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.184 3.234 -22.477 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.581 3.537 -21.417 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.363 1.339 -22.649 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.934 2.989 -22.301 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.088 2.322 -23.944 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.934 5.975 -22.215 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.369 6.889 -21.166 1.00 0.00 C ATOM 1337 C GLN A 89 -39.946 8.168 -21.762 1.00 0.00 C ATOM 1338 O GLN A 89 -41.057 8.578 -21.423 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.200 7.227 -20.238 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.498 6.003 -19.673 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.466 4.997 -19.081 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.379 3.800 -19.354 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.395 5.479 -18.264 1.00 0.00 N ATOM 0 H GLN A 89 -37.926 5.957 -22.368 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.151 6.394 -20.590 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.476 7.831 -20.785 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.567 7.838 -19.413 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.919 5.524 -20.463 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.791 6.316 -18.905 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.430 6.479 -18.065 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.073 4.849 -17.835 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.186 8.795 -22.654 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.622 10.028 -23.299 1.00 0.00 C ATOM 1354 C LYS A 90 -40.935 9.816 -24.046 1.00 0.00 C ATOM 1355 O LYS A 90 -41.849 10.635 -23.959 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.547 10.528 -24.267 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.304 11.058 -23.574 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.057 10.827 -24.412 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.994 11.782 -25.593 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.836 11.316 -26.730 1.00 0.00 N ATOM 0 H LYS A 90 -38.265 8.469 -22.947 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.782 10.778 -22.524 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.262 9.713 -24.933 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.969 11.316 -24.890 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.421 12.124 -23.380 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.189 10.569 -22.607 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.171 10.956 -23.791 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.046 9.799 -24.773 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.325 12.771 -25.278 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.960 11.882 -25.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.410 11.626 -27.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.895 10.278 -26.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.791 11.719 -26.643 1.00 0.00 H new