USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=16 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 55 SER OG : rot 160:sc= -0.146 USER MOD Set 1.2: A 76 CYS SG : rot 28:sc= -0.237 USER MOD Set 2.1: A 49 ASN : amide:sc= -6.64 K(o=-7.3,f=-17!) USER MOD Set 2.2: A 52 THR OG1 : rot -80:sc= -0.622 USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 34 SER OG : rot -120:sc= 0.986 USER MOD Set 4.1: A 29 ASN : amide:sc= -2.07 X(o=-4.1,f=-3.7) USER MOD Set 4.2: A 89 GLN : amide:sc= -2.06! C(o=-4.1!,f=-5.9!) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00186 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0753 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= -1.55! C(o=-1.6!,f=-3.1!) 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 60 ASN : amide:sc= -2.52! C(o=-2.5!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.061 X(o=-0.061,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.12 K(o=-2.1,f=-3.5!) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= -0.025 (180deg=-0.045) USER MOD Single : A 74 THR OG1 : rot 71:sc= 0.812 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= -1.89 K(o=-1.9,f=-5.6!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -0.224 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.550 1.514 -11.262 1.00 0.00 N ATOM 391 CA ILE A 28 -37.898 2.816 -11.336 1.00 0.00 C ATOM 392 C ILE A 28 -38.173 3.494 -12.674 1.00 0.00 C ATOM 393 O ILE A 28 -38.225 2.839 -13.714 1.00 0.00 O ATOM 394 CB ILE A 28 -36.376 2.694 -11.138 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.066 1.843 -9.905 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.747 4.073 -11.007 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.649 2.398 -8.625 1.00 0.00 C ATOM 0 HA ILE A 28 -38.314 3.424 -10.532 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.949 2.202 -12.012 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.451 0.836 -10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.985 1.758 -9.795 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.671 3.970 -10.868 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.942 4.649 -11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.177 4.589 -10.148 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.389 1.743 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.245 3.394 -8.443 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.734 2.457 -8.715 1.00 0.00 H new ATOM 409 N ASN A 29 -38.346 4.811 -12.639 1.00 0.00 N ATOM 410 CA ASN A 29 -38.614 5.579 -13.849 1.00 0.00 C ATOM 411 C ASN A 29 -38.151 7.024 -13.690 1.00 0.00 C ATOM 412 O ASN A 29 -38.071 7.542 -12.576 1.00 0.00 O ATOM 413 CB ASN A 29 -40.108 5.544 -14.180 1.00 0.00 C ATOM 414 CG ASN A 29 -40.654 4.130 -14.237 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.305 3.666 -13.301 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.390 3.438 -15.339 1.00 0.00 N ATOM 0 H ASN A 29 -38.305 5.369 -11.786 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.056 5.125 -14.668 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.657 6.113 -13.430 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.277 6.035 -15.139 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.731 2.481 -15.434 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -39.846 3.863 -16.090 1.00 0.00 H new ATOM 423 N ILE A 30 -37.849 7.669 -14.812 1.00 0.00 N ATOM 424 CA ILE A 30 -37.396 9.054 -14.797 1.00 0.00 C ATOM 425 C ILE A 30 -38.187 9.902 -15.787 1.00 0.00 C ATOM 426 O ILE A 30 -38.739 9.388 -16.760 1.00 0.00 O ATOM 427 CB ILE A 30 -35.896 9.160 -15.132 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.559 8.286 -16.342 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.055 8.756 -13.930 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.094 8.316 -16.719 1.00 0.00 C ATOM 0 H ILE A 30 -37.910 7.255 -15.742 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.562 9.429 -13.787 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.666 10.196 -15.380 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.850 7.257 -16.130 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.152 8.616 -17.195 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.998 8.836 -14.182 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.279 9.415 -13.091 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.285 7.727 -13.654 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.928 7.674 -17.584 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.802 9.337 -16.963 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.495 7.958 -15.881 1.00 0.00 H new ATOM 442 N THR A 31 -38.236 11.206 -15.535 1.00 0.00 N ATOM 443 CA THR A 31 -38.959 12.127 -16.403 1.00 0.00 C ATOM 444 C THR A 31 -38.120 13.360 -16.717 1.00 0.00 C ATOM 445 O THR A 31 -36.989 13.489 -16.247 1.00 0.00 O ATOM 446 CB THR A 31 -40.289 12.572 -15.768 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.096 12.862 -14.379 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.351 11.494 -15.923 1.00 0.00 C ATOM 0 H THR A 31 -37.783 11.649 -14.736 1.00 0.00 H new ATOM 0 HA THR A 31 -39.170 11.590 -17.328 1.00 0.00 H new ATOM 0 HB THR A 31 -40.629 13.471 -16.283 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.946 13.146 -13.983 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.281 11.832 -15.467 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.517 11.296 -16.982 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.016 10.580 -15.432 1.00 0.00 H new ATOM 456 N TYR A 32 -38.681 14.265 -17.511 1.00 0.00 N ATOM 457 CA TYR A 32 -37.984 15.489 -17.888 1.00 0.00 C ATOM 458 C TYR A 32 -37.747 16.378 -16.671 1.00 0.00 C ATOM 459 O TYR A 32 -36.913 17.283 -16.702 1.00 0.00 O ATOM 460 CB TYR A 32 -38.784 16.253 -18.944 1.00 0.00 C ATOM 461 CG TYR A 32 -38.406 15.898 -20.364 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.159 16.234 -20.877 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.296 15.227 -21.194 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.810 15.913 -22.174 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.954 14.900 -22.492 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.710 15.245 -22.977 1.00 0.00 C ATOM 467 OH TYR A 32 -37.367 14.922 -24.270 1.00 0.00 O ATOM 0 H TYR A 32 -39.617 14.174 -17.906 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.017 15.211 -18.306 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.846 16.053 -18.799 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.638 17.323 -18.795 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.450 16.755 -20.250 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.272 14.957 -20.818 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.837 16.184 -22.557 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.657 14.377 -23.123 1.00 0.00 H new ATOM 0 HH TYR A 32 -38.113 14.453 -24.699 1.00 0.00 H new ATOM 477 N ASP A 33 -38.488 16.113 -15.600 1.00 0.00 N ATOM 478 CA ASP A 33 -38.359 16.887 -14.371 1.00 0.00 C ATOM 479 C ASP A 33 -37.883 16.005 -13.221 1.00 0.00 C ATOM 480 O ASP A 33 -38.358 16.129 -12.092 1.00 0.00 O ATOM 481 CB ASP A 33 -39.695 17.539 -14.011 1.00 0.00 C ATOM 482 CG ASP A 33 -40.010 18.736 -14.887 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.061 19.436 -15.296 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.205 18.972 -15.161 1.00 0.00 O ATOM 0 H ASP A 33 -39.184 15.368 -15.558 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.616 17.667 -14.538 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.493 16.802 -14.107 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.674 17.852 -12.967 1.00 0.00 H new ATOM 489 N SER A 34 -36.942 15.114 -13.516 1.00 0.00 N ATOM 490 CA SER A 34 -36.405 14.208 -12.507 1.00 0.00 C ATOM 491 C SER A 34 -35.081 14.731 -11.957 1.00 0.00 C ATOM 492 O SER A 34 -34.497 15.669 -12.499 1.00 0.00 O ATOM 493 CB SER A 34 -36.207 12.811 -13.100 1.00 0.00 C ATOM 494 OG SER A 34 -37.410 12.063 -13.055 1.00 0.00 O ATOM 0 H SER A 34 -36.536 15.000 -14.445 1.00 0.00 H new ATOM 0 HA SER A 34 -37.122 14.150 -11.688 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.866 12.895 -14.132 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.427 12.285 -12.549 1.00 0.00 H new ATOM 0 HG SER A 34 -37.272 11.253 -12.521 1.00 0.00 H new ATOM 500 N THR A 35 -34.614 14.116 -10.874 1.00 0.00 N ATOM 501 CA THR A 35 -33.361 14.519 -10.248 1.00 0.00 C ATOM 502 C THR A 35 -32.202 13.653 -10.730 1.00 0.00 C ATOM 503 O THR A 35 -32.385 12.517 -11.165 1.00 0.00 O ATOM 504 CB THR A 35 -33.448 14.433 -8.712 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.101 13.114 -8.275 1.00 0.00 O ATOM 506 CG2 THR A 35 -34.847 14.782 -8.229 1.00 0.00 C ATOM 0 H THR A 35 -35.085 13.337 -10.413 1.00 0.00 H new ATOM 0 HA THR A 35 -33.181 15.555 -10.537 1.00 0.00 H new ATOM 0 HB THR A 35 -32.746 15.151 -8.289 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.157 13.068 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.884 14.714 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.096 15.797 -8.538 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.565 14.085 -8.661 1.00 0.00 H new ATOM 514 N PRO A 36 -30.981 14.201 -10.650 1.00 0.00 N ATOM 515 CA PRO A 36 -29.767 13.495 -11.072 1.00 0.00 C ATOM 516 C PRO A 36 -29.417 12.338 -10.143 1.00 0.00 C ATOM 517 O PRO A 36 -28.518 11.549 -10.431 1.00 0.00 O ATOM 518 CB PRO A 36 -28.687 14.577 -11.009 1.00 0.00 C ATOM 519 CG PRO A 36 -29.191 15.558 -10.008 1.00 0.00 C ATOM 520 CD PRO A 36 -30.689 15.551 -10.140 1.00 0.00 C ATOM 0 HA PRO A 36 -29.880 13.044 -12.058 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.726 14.160 -10.706 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.539 15.045 -11.982 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.887 15.278 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.787 16.552 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.177 15.733 -9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.035 16.323 -10.827 1.00 0.00 H new ATOM 528 N GLU A 37 -30.133 12.243 -9.027 1.00 0.00 N ATOM 529 CA GLU A 37 -29.896 11.182 -8.055 1.00 0.00 C ATOM 530 C GLU A 37 -30.830 10.000 -8.302 1.00 0.00 C ATOM 531 O GLU A 37 -30.523 8.865 -7.936 1.00 0.00 O ATOM 532 CB GLU A 37 -30.089 11.710 -6.632 1.00 0.00 C ATOM 533 CG GLU A 37 -28.800 12.171 -5.974 1.00 0.00 C ATOM 534 CD GLU A 37 -28.928 12.303 -4.469 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.854 11.694 -3.896 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.100 13.017 -3.864 1.00 0.00 O ATOM 0 H GLU A 37 -30.882 12.888 -8.774 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.867 10.841 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.793 12.542 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -30.539 10.928 -6.021 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -28.004 11.463 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.505 13.132 -6.395 1.00 0.00 H new ATOM 543 N ASP A 38 -31.971 10.275 -8.924 1.00 0.00 N ATOM 544 CA ASP A 38 -32.950 9.236 -9.221 1.00 0.00 C ATOM 545 C ASP A 38 -32.558 8.461 -10.475 1.00 0.00 C ATOM 546 O ASP A 38 -32.905 7.290 -10.628 1.00 0.00 O ATOM 547 CB ASP A 38 -34.339 9.850 -9.399 1.00 0.00 C ATOM 548 CG ASP A 38 -35.167 9.788 -8.131 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.586 9.934 -7.035 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.396 9.596 -8.234 1.00 0.00 O ATOM 0 H ASP A 38 -32.241 11.209 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.973 8.543 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.236 10.889 -9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.864 9.327 -10.198 1.00 0.00 H new ATOM 555 N VAL A 39 -31.832 9.124 -11.371 1.00 0.00 N ATOM 556 CA VAL A 39 -31.393 8.498 -12.612 1.00 0.00 C ATOM 557 C VAL A 39 -30.352 7.417 -12.343 1.00 0.00 C ATOM 558 O VAL A 39 -30.250 6.439 -13.085 1.00 0.00 O ATOM 559 CB VAL A 39 -30.801 9.535 -13.585 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.284 8.854 -14.843 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.837 10.594 -13.929 1.00 0.00 C ATOM 0 H VAL A 39 -31.536 10.094 -11.260 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.274 8.045 -13.067 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.960 10.027 -13.096 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.870 9.603 -15.518 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.508 8.137 -14.576 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.104 8.333 -15.338 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.402 11.319 -14.617 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.699 10.120 -14.398 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.153 11.103 -13.018 1.00 0.00 H new ATOM 571 N LYS A 40 -29.579 7.599 -11.278 1.00 0.00 N ATOM 572 CA LYS A 40 -28.546 6.639 -10.908 1.00 0.00 C ATOM 573 C LYS A 40 -29.158 5.284 -10.568 1.00 0.00 C ATOM 574 O LYS A 40 -28.639 4.239 -10.961 1.00 0.00 O ATOM 575 CB LYS A 40 -27.739 7.160 -9.717 1.00 0.00 C ATOM 576 CG LYS A 40 -26.236 7.095 -9.925 1.00 0.00 C ATOM 577 CD LYS A 40 -25.524 8.227 -9.203 1.00 0.00 C ATOM 578 CE LYS A 40 -25.141 7.831 -7.786 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.680 7.987 -7.541 1.00 0.00 N ATOM 0 H LYS A 40 -29.649 8.404 -10.655 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.881 6.513 -11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -28.025 8.193 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.000 6.581 -8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.859 6.138 -9.564 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -26.013 7.144 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.629 8.508 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.170 9.105 -9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.696 8.444 -7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.430 6.795 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.460 7.707 -6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.151 7.383 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.408 8.980 -7.686 1.00 0.00 H new ATOM 593 N THR A 41 -30.267 5.308 -9.835 1.00 0.00 N ATOM 594 CA THR A 41 -30.951 4.082 -9.442 1.00 0.00 C ATOM 595 C THR A 41 -31.711 3.476 -10.616 1.00 0.00 C ATOM 596 O THR A 41 -31.913 2.263 -10.677 1.00 0.00 O ATOM 597 CB THR A 41 -31.934 4.334 -8.283 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.228 4.833 -7.141 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.670 3.056 -7.911 1.00 0.00 C ATOM 0 H THR A 41 -30.711 6.164 -9.501 1.00 0.00 H new ATOM 0 HA THR A 41 -30.183 3.383 -9.111 1.00 0.00 H new ATOM 0 HB THR A 41 -32.665 5.074 -8.610 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.860 4.992 -6.409 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.358 3.258 -7.091 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.230 2.694 -8.774 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.950 2.298 -7.602 1.00 0.00 H new ATOM 607 N TRP A 42 -32.130 4.327 -11.546 1.00 0.00 N ATOM 608 CA TRP A 42 -32.868 3.874 -12.719 1.00 0.00 C ATOM 609 C TRP A 42 -31.980 3.034 -13.630 1.00 0.00 C ATOM 610 O TRP A 42 -32.422 2.031 -14.193 1.00 0.00 O ATOM 611 CB TRP A 42 -33.424 5.071 -13.491 1.00 0.00 C ATOM 612 CG TRP A 42 -34.152 4.685 -14.743 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.424 4.198 -14.834 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.649 4.752 -16.082 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.743 3.958 -16.149 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.671 4.291 -16.934 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.436 5.160 -16.644 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.514 4.225 -18.316 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.282 5.093 -18.016 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.316 4.630 -18.839 1.00 0.00 C ATOM 0 H TRP A 42 -31.971 5.334 -11.510 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.697 3.254 -12.378 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.100 5.629 -12.844 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.604 5.741 -13.748 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.083 4.026 -13.996 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.633 3.591 -16.486 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.634 5.521 -16.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.310 3.867 -18.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.348 5.403 -18.461 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.165 4.592 -19.908 1.00 0.00 H new ATOM 631 N LEU A 43 -30.726 3.448 -13.772 1.00 0.00 N ATOM 632 CA LEU A 43 -29.774 2.732 -14.615 1.00 0.00 C ATOM 633 C LEU A 43 -29.386 1.398 -13.986 1.00 0.00 C ATOM 634 O LEU A 43 -29.270 0.386 -14.678 1.00 0.00 O ATOM 635 CB LEU A 43 -28.525 3.584 -14.845 1.00 0.00 C ATOM 636 CG LEU A 43 -28.757 4.964 -15.461 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.861 6.001 -14.801 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.514 4.925 -16.963 1.00 0.00 C ATOM 0 H LEU A 43 -30.344 4.276 -13.314 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.252 2.534 -15.574 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -28.019 3.716 -13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.845 3.029 -15.492 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.795 5.248 -15.288 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.040 6.977 -15.252 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.083 6.048 -13.735 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.817 5.722 -14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.684 5.916 -17.385 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.486 4.619 -17.157 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.198 4.212 -17.424 1.00 0.00 H new ATOM 650 N GLN A 44 -29.187 1.404 -12.672 1.00 0.00 N ATOM 651 CA GLN A 44 -28.813 0.193 -11.951 1.00 0.00 C ATOM 652 C GLN A 44 -29.917 -0.856 -12.038 1.00 0.00 C ATOM 653 O GLN A 44 -29.657 -2.020 -12.340 1.00 0.00 O ATOM 654 CB GLN A 44 -28.517 0.518 -10.486 1.00 0.00 C ATOM 655 CG GLN A 44 -27.194 1.237 -10.277 1.00 0.00 C ATOM 656 CD GLN A 44 -26.010 0.291 -10.268 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.115 -0.856 -10.704 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.875 0.766 -9.770 1.00 0.00 N ATOM 0 H GLN A 44 -29.278 2.233 -12.085 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.914 -0.213 -12.415 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.323 1.135 -10.090 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.512 -0.408 -9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.058 1.976 -11.067 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.226 1.782 -9.333 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.833 1.723 -9.419 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.045 0.174 -9.738 1.00 0.00 H new ATOM 667 N SER A 45 -31.149 -0.434 -11.773 1.00 0.00 N ATOM 668 CA SER A 45 -32.292 -1.339 -11.817 1.00 0.00 C ATOM 669 C SER A 45 -32.337 -2.092 -13.143 1.00 0.00 C ATOM 670 O SER A 45 -32.460 -3.317 -13.171 1.00 0.00 O ATOM 671 CB SER A 45 -33.594 -0.560 -11.616 1.00 0.00 C ATOM 672 OG SER A 45 -34.694 -1.249 -12.185 1.00 0.00 O ATOM 0 H SER A 45 -31.381 0.528 -11.526 1.00 0.00 H new ATOM 0 HA SER A 45 -32.182 -2.064 -11.010 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.769 -0.406 -10.551 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.505 0.427 -12.070 1.00 0.00 H new ATOM 0 HG SER A 45 -35.514 -0.731 -12.042 1.00 0.00 H new ATOM 678 N LYS A 46 -32.236 -1.352 -14.241 1.00 0.00 N ATOM 679 CA LYS A 46 -32.263 -1.947 -15.572 1.00 0.00 C ATOM 680 C LYS A 46 -31.161 -2.991 -15.724 1.00 0.00 C ATOM 681 O LYS A 46 -31.261 -3.897 -16.549 1.00 0.00 O ATOM 682 CB LYS A 46 -32.106 -0.864 -16.641 1.00 0.00 C ATOM 683 CG LYS A 46 -33.268 0.112 -16.694 1.00 0.00 C ATOM 684 CD LYS A 46 -34.576 -0.594 -17.011 1.00 0.00 C ATOM 685 CE LYS A 46 -35.688 0.400 -17.309 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.013 -0.269 -17.428 1.00 0.00 N ATOM 0 H LYS A 46 -32.134 -0.337 -14.236 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.226 -2.440 -15.703 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.186 -0.311 -16.453 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.998 -1.340 -17.615 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.355 0.628 -15.738 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.071 0.872 -17.450 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.437 -1.253 -17.868 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.865 -1.223 -16.169 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.729 1.148 -16.517 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.464 0.929 -18.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.744 0.442 -17.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -36.983 -0.965 -18.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.239 -0.753 -16.535 1.00 0.00 H new ATOM 700 N GLY A 47 -30.110 -2.856 -14.920 1.00 0.00 N ATOM 701 CA GLY A 47 -29.005 -3.795 -14.980 1.00 0.00 C ATOM 702 C GLY A 47 -27.851 -3.279 -15.816 1.00 0.00 C ATOM 703 O GLY A 47 -27.299 -4.007 -16.642 1.00 0.00 O ATOM 0 H GLY A 47 -30.004 -2.113 -14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.653 -4.003 -13.969 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.357 -4.739 -15.395 1.00 0.00 H new ATOM 707 N PHE A 48 -27.486 -2.019 -15.604 1.00 0.00 N ATOM 708 CA PHE A 48 -26.391 -1.405 -16.347 1.00 0.00 C ATOM 709 C PHE A 48 -25.114 -1.383 -15.513 1.00 0.00 C ATOM 710 O PHE A 48 -25.162 -1.312 -14.286 1.00 0.00 O ATOM 711 CB PHE A 48 -26.766 0.018 -16.765 1.00 0.00 C ATOM 712 CG PHE A 48 -27.662 0.073 -17.969 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.218 -0.378 -19.202 1.00 0.00 C ATOM 714 CD2 PHE A 48 -28.950 0.575 -17.868 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.041 -0.329 -20.311 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.777 0.626 -18.974 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.322 0.174 -20.197 1.00 0.00 C ATOM 0 H PHE A 48 -27.932 -1.403 -14.924 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.210 -2.003 -17.240 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.261 0.515 -15.931 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.855 0.579 -16.974 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.217 -0.772 -19.297 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.311 0.930 -16.914 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.683 -0.684 -21.266 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -30.779 1.019 -18.882 1.00 0.00 H new ATOM 0 HZ PHE A 48 -29.967 0.214 -21.063 1.00 0.00 H new ATOM 727 N ASN A 49 -23.971 -1.444 -16.190 1.00 0.00 N ATOM 728 CA ASN A 49 -22.680 -1.432 -15.512 1.00 0.00 C ATOM 729 C ASN A 49 -22.519 -0.170 -14.671 1.00 0.00 C ATOM 730 O ASN A 49 -23.256 0.805 -14.822 1.00 0.00 O ATOM 731 CB ASN A 49 -21.544 -1.527 -16.533 1.00 0.00 C ATOM 732 CG ASN A 49 -20.743 -0.243 -16.627 1.00 0.00 C ATOM 733 OD1 ASN A 49 -19.615 -0.165 -16.140 1.00 0.00 O ATOM 734 ND2 ASN A 49 -21.323 0.772 -17.256 1.00 0.00 N ATOM 0 H ASN A 49 -23.913 -1.502 -17.207 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.637 -2.296 -14.849 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.880 -2.347 -16.259 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.958 -1.766 -17.512 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.832 1.661 -17.351 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -22.260 0.663 -17.645 1.00 0.00 H new ATOM 741 N PRO A 50 -21.531 -0.186 -13.764 1.00 0.00 N ATOM 742 CA PRO A 50 -21.248 0.950 -12.881 1.00 0.00 C ATOM 743 C PRO A 50 -20.668 2.141 -13.637 1.00 0.00 C ATOM 744 O PRO A 50 -21.048 3.287 -13.397 1.00 0.00 O ATOM 745 CB PRO A 50 -20.219 0.388 -11.898 1.00 0.00 C ATOM 746 CG PRO A 50 -19.558 -0.724 -12.636 1.00 0.00 C ATOM 747 CD PRO A 50 -20.613 -1.313 -13.530 1.00 0.00 C ATOM 0 HA PRO A 50 -22.151 1.329 -12.403 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.498 1.150 -11.601 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.697 0.029 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.713 -0.357 -13.219 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.169 -1.473 -11.946 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.188 -1.685 -14.462 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.120 -2.152 -13.054 1.00 0.00 H new ATOM 755 N VAL A 51 -19.745 1.862 -14.552 1.00 0.00 N ATOM 756 CA VAL A 51 -19.113 2.911 -15.344 1.00 0.00 C ATOM 757 C VAL A 51 -20.153 3.857 -15.933 1.00 0.00 C ATOM 758 O VAL A 51 -19.859 5.017 -16.224 1.00 0.00 O ATOM 759 CB VAL A 51 -18.268 2.318 -16.488 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.645 3.427 -17.322 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.197 1.391 -15.933 1.00 0.00 C ATOM 0 H VAL A 51 -19.418 0.919 -14.763 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.461 3.467 -14.670 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.922 1.734 -17.135 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -17.052 2.989 -18.125 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.433 4.047 -17.750 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -17.003 4.041 -16.690 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.609 0.981 -16.754 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.544 1.950 -15.263 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.670 0.577 -15.383 1.00 0.00 H new ATOM 771 N THR A 52 -21.371 3.355 -16.106 1.00 0.00 N ATOM 772 CA THR A 52 -22.456 4.155 -16.660 1.00 0.00 C ATOM 773 C THR A 52 -23.245 4.852 -15.558 1.00 0.00 C ATOM 774 O THR A 52 -23.612 6.020 -15.686 1.00 0.00 O ATOM 775 CB THR A 52 -23.419 3.293 -17.498 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.719 2.712 -18.605 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.585 4.125 -18.009 1.00 0.00 C ATOM 0 H THR A 52 -21.631 2.397 -15.870 1.00 0.00 H new ATOM 0 HA THR A 52 -21.997 4.905 -17.304 1.00 0.00 H new ATOM 0 HB THR A 52 -23.811 2.501 -16.860 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.631 3.376 -19.321 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.251 3.495 -18.598 1.00 0.00 H new ATOM 0 HG22 THR A 52 -25.133 4.542 -17.164 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.208 4.936 -18.632 1.00 0.00 H new ATOM 785 N VAL A 53 -23.502 4.128 -14.473 1.00 0.00 N ATOM 786 CA VAL A 53 -24.246 4.678 -13.346 1.00 0.00 C ATOM 787 C VAL A 53 -23.464 5.794 -12.663 1.00 0.00 C ATOM 788 O VAL A 53 -24.041 6.653 -11.997 1.00 0.00 O ATOM 789 CB VAL A 53 -24.578 3.589 -12.308 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.373 4.177 -11.152 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.338 2.445 -12.961 1.00 0.00 C ATOM 0 H VAL A 53 -23.206 3.160 -14.351 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.175 5.083 -13.747 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.643 3.194 -11.910 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.598 3.393 -10.429 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -24.788 4.959 -10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.304 4.601 -11.529 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.564 1.685 -12.213 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.267 2.822 -13.388 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.728 2.007 -13.751 1.00 0.00 H new ATOM 801 N ASN A 54 -22.146 5.775 -12.833 1.00 0.00 N ATOM 802 CA ASN A 54 -21.283 6.786 -12.232 1.00 0.00 C ATOM 803 C ASN A 54 -21.114 7.981 -13.166 1.00 0.00 C ATOM 804 O ASN A 54 -20.891 9.105 -12.718 1.00 0.00 O ATOM 805 CB ASN A 54 -19.915 6.187 -11.900 1.00 0.00 C ATOM 806 CG ASN A 54 -19.643 6.158 -10.408 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.345 7.186 -9.800 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.745 4.976 -9.811 1.00 0.00 N ATOM 0 H ASN A 54 -21.652 5.071 -13.382 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.755 7.130 -11.311 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.859 5.173 -12.296 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.137 6.767 -12.397 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.574 4.894 -8.809 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.995 4.150 -10.355 1.00 0.00 H new ATOM 815 N SER A 55 -21.224 7.729 -14.467 1.00 0.00 N ATOM 816 CA SER A 55 -21.080 8.783 -15.464 1.00 0.00 C ATOM 817 C SER A 55 -22.399 9.524 -15.665 1.00 0.00 C ATOM 818 O SER A 55 -22.444 10.754 -15.630 1.00 0.00 O ATOM 819 CB SER A 55 -20.605 8.194 -16.794 1.00 0.00 C ATOM 820 OG SER A 55 -19.733 9.087 -17.464 1.00 0.00 O ATOM 0 H SER A 55 -21.412 6.804 -14.855 1.00 0.00 H new ATOM 0 HA SER A 55 -20.336 9.493 -15.102 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.094 7.248 -16.615 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.465 7.977 -17.427 1.00 0.00 H new ATOM 0 HG SER A 55 -19.200 8.593 -18.121 1.00 0.00 H new ATOM 826 N LEU A 56 -23.470 8.766 -15.875 1.00 0.00 N ATOM 827 CA LEU A 56 -24.791 9.350 -16.082 1.00 0.00 C ATOM 828 C LEU A 56 -25.570 9.409 -14.772 1.00 0.00 C ATOM 829 O LEU A 56 -26.798 9.492 -14.772 1.00 0.00 O ATOM 830 CB LEU A 56 -25.572 8.539 -17.117 1.00 0.00 C ATOM 831 CG LEU A 56 -24.839 8.237 -18.425 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.662 7.299 -19.294 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.531 9.526 -19.173 1.00 0.00 C ATOM 0 H LEU A 56 -23.450 7.747 -15.906 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.659 10.367 -16.451 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.866 7.593 -16.662 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.490 9.077 -17.354 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.897 7.744 -18.186 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.124 7.096 -20.220 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.832 6.364 -18.760 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.620 7.764 -19.525 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.009 9.292 -20.101 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.462 10.046 -19.401 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.901 10.164 -18.554 1.00 0.00 H new ATOM 845 N GLY A 57 -24.848 9.368 -13.656 1.00 0.00 N ATOM 846 CA GLY A 57 -25.489 9.420 -12.355 1.00 0.00 C ATOM 847 C GLY A 57 -25.432 10.803 -11.737 1.00 0.00 C ATOM 848 O GLY A 57 -25.767 10.981 -10.565 1.00 0.00 O ATOM 0 H GLY A 57 -23.831 9.300 -13.630 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.530 9.112 -12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -25.007 8.706 -11.687 1.00 0.00 H new ATOM 852 N VAL A 58 -25.007 11.785 -12.524 1.00 0.00 N ATOM 853 CA VAL A 58 -24.907 13.159 -12.047 1.00 0.00 C ATOM 854 C VAL A 58 -25.851 14.078 -12.815 1.00 0.00 C ATOM 855 O VAL A 58 -26.186 15.169 -12.352 1.00 0.00 O ATOM 856 CB VAL A 58 -23.469 13.695 -12.176 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.532 12.941 -11.246 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.992 13.600 -13.618 1.00 0.00 C ATOM 0 H VAL A 58 -24.726 11.655 -13.496 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.190 13.150 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.464 14.745 -11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.521 13.334 -11.351 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.864 13.066 -10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.538 11.882 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.974 13.983 -13.691 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -23.012 12.559 -13.940 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.648 14.190 -14.258 1.00 0.00 H new ATOM 868 N LEU A 59 -26.277 13.629 -13.990 1.00 0.00 N ATOM 869 CA LEU A 59 -27.184 14.411 -14.824 1.00 0.00 C ATOM 870 C LEU A 59 -28.639 14.101 -14.484 1.00 0.00 C ATOM 871 O LEU A 59 -29.009 12.944 -14.294 1.00 0.00 O ATOM 872 CB LEU A 59 -26.922 14.125 -16.304 1.00 0.00 C ATOM 873 CG LEU A 59 -25.594 14.638 -16.862 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.480 14.320 -18.345 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.458 16.135 -16.623 1.00 0.00 C ATOM 0 H LEU A 59 -26.010 12.728 -14.387 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.001 15.467 -14.627 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.966 13.047 -16.458 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.732 14.564 -16.887 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.782 14.132 -16.340 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.529 14.693 -18.725 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.531 13.241 -18.491 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.298 14.798 -18.884 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.507 16.483 -17.026 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.276 16.658 -17.119 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.494 16.337 -15.553 1.00 0.00 H new ATOM 887 N ASN A 60 -29.459 15.145 -14.412 1.00 0.00 N ATOM 888 CA ASN A 60 -30.874 14.984 -14.097 1.00 0.00 C ATOM 889 C ASN A 60 -31.626 14.367 -15.272 1.00 0.00 C ATOM 890 O ASN A 60 -31.126 14.335 -16.396 1.00 0.00 O ATOM 891 CB ASN A 60 -31.493 16.335 -13.733 1.00 0.00 C ATOM 892 CG ASN A 60 -31.249 17.388 -14.796 1.00 0.00 C ATOM 893 OD1 ASN A 60 -31.879 17.377 -15.854 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.330 18.306 -14.520 1.00 0.00 N ATOM 0 H ASN A 60 -29.168 16.110 -14.567 1.00 0.00 H new ATOM 0 HA ASN A 60 -30.957 14.312 -13.243 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.566 16.212 -13.587 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.079 16.677 -12.785 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.123 19.040 -15.197 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.832 18.277 -13.631 1.00 0.00 H new ATOM 901 N GLY A 61 -32.834 13.878 -15.005 1.00 0.00 N ATOM 902 CA GLY A 61 -33.636 13.270 -16.049 1.00 0.00 C ATOM 903 C GLY A 61 -33.764 14.156 -17.273 1.00 0.00 C ATOM 904 O GLY A 61 -33.758 13.669 -18.403 1.00 0.00 O ATOM 0 H GLY A 61 -33.271 13.893 -14.083 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.189 12.319 -16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.629 13.050 -15.658 1.00 0.00 H new ATOM 908 N ALA A 62 -33.882 15.460 -17.047 1.00 0.00 N ATOM 909 CA ALA A 62 -34.012 16.416 -18.140 1.00 0.00 C ATOM 910 C ALA A 62 -32.793 16.372 -19.055 1.00 0.00 C ATOM 911 O ALA A 62 -32.920 16.169 -20.262 1.00 0.00 O ATOM 912 CB ALA A 62 -34.212 17.821 -17.591 1.00 0.00 C ATOM 0 H ALA A 62 -33.890 15.879 -16.117 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.886 16.140 -18.729 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.308 18.525 -18.418 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.117 17.849 -16.984 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.355 18.097 -16.977 1.00 0.00 H new ATOM 918 N GLN A 63 -31.614 16.564 -18.472 1.00 0.00 N ATOM 919 CA GLN A 63 -30.372 16.548 -19.237 1.00 0.00 C ATOM 920 C GLN A 63 -30.178 15.203 -19.930 1.00 0.00 C ATOM 921 O GLN A 63 -29.884 15.145 -21.125 1.00 0.00 O ATOM 922 CB GLN A 63 -29.181 16.841 -18.323 1.00 0.00 C ATOM 923 CG GLN A 63 -29.230 18.219 -17.683 1.00 0.00 C ATOM 924 CD GLN A 63 -28.228 19.180 -18.291 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.480 19.848 -17.577 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.208 19.255 -19.616 1.00 0.00 N ATOM 0 H GLN A 63 -31.492 16.732 -17.473 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.434 17.324 -20.000 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.142 16.086 -17.538 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.260 16.750 -18.899 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.234 18.630 -17.791 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.037 18.126 -16.614 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.846 18.683 -20.169 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.554 19.885 -20.081 1.00 0.00 H new ATOM 935 N LEU A 64 -30.344 14.124 -19.174 1.00 0.00 N ATOM 936 CA LEU A 64 -30.186 12.778 -19.715 1.00 0.00 C ATOM 937 C LEU A 64 -31.139 12.547 -20.884 1.00 0.00 C ATOM 938 O LEU A 64 -30.792 11.880 -21.859 1.00 0.00 O ATOM 939 CB LEU A 64 -30.436 11.736 -18.624 1.00 0.00 C ATOM 940 CG LEU A 64 -30.399 10.274 -19.071 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.424 9.479 -18.216 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.790 9.661 -19.008 1.00 0.00 C ATOM 0 H LEU A 64 -30.588 14.154 -18.184 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.163 12.676 -20.078 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.691 11.874 -17.840 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.410 11.934 -18.177 1.00 0.00 H new ATOM 0 HG LEU A 64 -30.056 10.239 -20.105 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.411 8.441 -18.549 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.425 9.904 -18.313 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.736 9.522 -17.173 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.744 8.621 -19.330 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.162 9.708 -17.985 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.462 10.214 -19.664 1.00 0.00 H new ATOM 954 N PHE A 65 -32.341 13.104 -20.780 1.00 0.00 N ATOM 955 CA PHE A 65 -33.344 12.959 -21.828 1.00 0.00 C ATOM 956 C PHE A 65 -32.921 13.702 -23.092 1.00 0.00 C ATOM 957 O PHE A 65 -33.387 13.397 -24.190 1.00 0.00 O ATOM 958 CB PHE A 65 -34.698 13.483 -21.344 1.00 0.00 C ATOM 959 CG PHE A 65 -35.507 12.457 -20.604 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.884 11.458 -19.874 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.892 12.492 -20.639 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.627 10.513 -19.193 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.640 11.549 -19.959 1.00 0.00 C ATOM 964 CZ PHE A 65 -37.007 10.559 -19.234 1.00 0.00 C ATOM 0 H PHE A 65 -32.644 13.660 -19.980 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.436 11.899 -22.064 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.535 14.343 -20.695 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.270 13.836 -22.202 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.805 11.417 -19.837 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.393 13.265 -21.204 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.129 9.738 -18.629 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.719 11.587 -19.995 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.589 9.822 -18.700 1.00 0.00 H new ATOM 974 N SER A 66 -32.035 14.679 -22.928 1.00 0.00 N ATOM 975 CA SER A 66 -31.551 15.469 -24.054 1.00 0.00 C ATOM 976 C SER A 66 -30.457 14.723 -24.811 1.00 0.00 C ATOM 977 O SER A 66 -30.277 14.914 -26.015 1.00 0.00 O ATOM 978 CB SER A 66 -31.021 16.819 -23.567 1.00 0.00 C ATOM 979 OG SER A 66 -31.285 17.842 -24.511 1.00 0.00 O ATOM 0 H SER A 66 -31.638 14.942 -22.026 1.00 0.00 H new ATOM 0 HA SER A 66 -32.387 15.639 -24.733 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.484 17.072 -22.613 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.947 16.750 -23.392 1.00 0.00 H new ATOM 0 HG SER A 66 -30.938 18.695 -24.175 1.00 0.00 H new ATOM 985 N LEU A 67 -29.727 13.873 -24.098 1.00 0.00 N ATOM 986 CA LEU A 67 -28.649 13.097 -24.700 1.00 0.00 C ATOM 987 C LEU A 67 -29.200 12.082 -25.697 1.00 0.00 C ATOM 988 O LEU A 67 -30.253 11.486 -25.473 1.00 0.00 O ATOM 989 CB LEU A 67 -27.843 12.379 -23.617 1.00 0.00 C ATOM 990 CG LEU A 67 -27.228 13.269 -22.536 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.663 12.424 -21.405 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.146 14.159 -23.131 1.00 0.00 C ATOM 0 H LEU A 67 -29.862 13.704 -23.101 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.994 13.785 -25.234 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.492 11.650 -23.133 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -27.041 11.821 -24.100 1.00 0.00 H new ATOM 0 HG LEU A 67 -28.012 13.906 -22.128 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.230 13.075 -20.646 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.462 11.830 -20.961 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.892 11.761 -21.797 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.719 14.786 -22.348 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.363 13.538 -23.566 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.580 14.791 -23.905 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.479 11.889 -26.797 1.00 0.00 N ATOM 1005 CA ASN A 68 -28.896 10.944 -27.827 1.00 0.00 C ATOM 1006 C ASN A 68 -27.957 9.743 -27.875 1.00 0.00 C ATOM 1007 O ASN A 68 -27.004 9.654 -27.100 1.00 0.00 O ATOM 1008 CB ASN A 68 -28.932 11.632 -29.194 1.00 0.00 C ATOM 1009 CG ASN A 68 -27.855 12.689 -29.338 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.933 13.758 -28.732 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -26.842 12.395 -30.145 1.00 0.00 N ATOM 0 H ASN A 68 -27.604 12.374 -26.998 1.00 0.00 H new ATOM 0 HA ASN A 68 -29.897 10.591 -27.578 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.810 10.884 -29.977 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.910 12.091 -29.341 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -26.088 13.068 -30.282 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -26.818 11.497 -30.627 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.232 8.820 -28.791 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.412 7.624 -28.942 1.00 0.00 C ATOM 1020 C LYS A 69 -25.947 7.992 -29.160 1.00 0.00 C ATOM 1021 O LYS A 69 -25.048 7.211 -28.848 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.916 6.780 -30.115 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.455 5.334 -30.067 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.744 4.613 -31.372 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.844 3.109 -31.168 1.00 0.00 C ATOM 1026 NZ LYS A 69 -26.602 2.407 -31.595 1.00 0.00 N ATOM 0 H LYS A 69 -29.017 8.878 -29.440 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.490 7.043 -28.023 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.006 6.805 -30.128 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.576 7.230 -31.048 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.385 5.299 -29.860 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.955 4.819 -29.247 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.676 4.986 -31.796 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -26.956 4.832 -32.092 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -28.037 2.897 -30.116 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -28.692 2.722 -31.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -26.677 1.396 -31.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -26.476 2.517 -32.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -25.784 2.817 -31.100 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.716 9.185 -29.696 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.360 9.658 -29.953 1.00 0.00 C ATOM 1042 C ASP A 70 -23.726 10.209 -28.680 1.00 0.00 C ATOM 1043 O ASP A 70 -22.684 9.729 -28.236 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.370 10.733 -31.041 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.307 10.499 -32.096 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.409 9.491 -32.827 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.372 11.322 -32.191 1.00 0.00 O ATOM 0 H ASP A 70 -26.449 9.842 -29.961 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.765 8.812 -30.296 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.351 10.756 -31.516 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.215 11.710 -30.584 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.363 11.222 -28.099 1.00 0.00 N ATOM 1053 CA GLU A 71 -23.859 11.839 -26.878 1.00 0.00 C ATOM 1054 C GLU A 71 -23.679 10.799 -25.776 1.00 0.00 C ATOM 1055 O GLU A 71 -22.680 10.807 -25.056 1.00 0.00 O ATOM 1056 CB GLU A 71 -24.813 12.939 -26.405 1.00 0.00 C ATOM 1057 CG GLU A 71 -24.892 14.125 -27.352 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.916 15.454 -26.622 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.827 16.003 -26.353 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -26.024 15.944 -26.321 1.00 0.00 O ATOM 0 H GLU A 71 -25.227 11.632 -28.454 1.00 0.00 H new ATOM 0 HA GLU A 71 -22.887 12.280 -27.099 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.810 12.516 -26.282 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.492 13.289 -25.424 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.038 14.102 -28.029 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -25.788 14.036 -27.966 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.654 9.905 -25.650 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.604 8.858 -24.635 1.00 0.00 C ATOM 1069 C LEU A 72 -23.510 7.844 -24.952 1.00 0.00 C ATOM 1070 O LEU A 72 -22.960 7.207 -24.053 1.00 0.00 O ATOM 1071 CB LEU A 72 -25.957 8.151 -24.538 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.014 8.840 -23.673 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.403 8.619 -24.250 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -26.943 8.334 -22.240 1.00 0.00 C ATOM 0 H LEU A 72 -25.488 9.884 -26.237 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.374 9.325 -23.677 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.358 8.038 -25.545 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.793 7.148 -24.145 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.811 9.911 -23.669 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.142 9.116 -23.621 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.448 9.031 -25.258 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.617 7.551 -24.285 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.702 8.835 -21.639 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.120 7.259 -22.225 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -25.956 8.545 -21.828 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.197 7.701 -26.236 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.167 6.765 -26.672 1.00 0.00 C ATOM 1088 C ARG A 73 -20.774 7.338 -26.428 1.00 0.00 C ATOM 1089 O ARG A 73 -19.796 6.597 -26.320 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.343 6.435 -28.155 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.188 5.640 -28.743 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.675 4.622 -29.762 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.591 3.771 -30.246 1.00 0.00 N ATOM 1094 CZ ARG A 73 -19.685 4.169 -31.133 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -19.732 5.398 -31.629 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -18.728 3.337 -31.525 1.00 0.00 N ATOM 0 H ARG A 73 -23.642 8.221 -26.992 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.272 5.850 -26.089 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.266 5.870 -28.286 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.456 7.364 -28.714 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.480 6.320 -29.216 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.652 5.128 -27.943 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.450 4.001 -29.312 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.132 5.142 -30.604 1.00 0.00 H new ATOM 0 HE ARG A 73 -20.526 2.820 -29.884 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -20.465 6.041 -31.330 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.035 5.700 -32.310 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.687 2.391 -31.145 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.033 3.643 -32.206 1.00 0.00 H new ATOM 1110 N THR A 74 -20.691 8.662 -26.344 1.00 0.00 N ATOM 1111 CA THR A 74 -19.418 9.335 -26.115 1.00 0.00 C ATOM 1112 C THR A 74 -19.058 9.341 -24.634 1.00 0.00 C ATOM 1113 O THR A 74 -17.899 9.145 -24.266 1.00 0.00 O ATOM 1114 CB THR A 74 -19.449 10.786 -26.631 1.00 0.00 C ATOM 1115 OG1 THR A 74 -20.799 11.183 -26.896 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.616 10.929 -27.895 1.00 0.00 C ATOM 0 H THR A 74 -21.490 9.290 -26.431 1.00 0.00 H new ATOM 0 HA THR A 74 -18.662 8.777 -26.667 1.00 0.00 H new ATOM 0 HB THR A 74 -19.025 11.431 -25.861 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.280 11.293 -26.049 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.653 11.962 -28.240 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.583 10.654 -27.683 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.014 10.273 -28.669 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.057 9.567 -23.788 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.846 9.597 -22.345 1.00 0.00 C ATOM 1126 C VAL A 75 -19.452 8.221 -21.819 1.00 0.00 C ATOM 1127 O VAL A 75 -18.636 8.105 -20.904 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.107 10.077 -21.603 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.296 9.192 -21.943 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.863 10.102 -20.102 1.00 0.00 C ATOM 0 H VAL A 75 -21.021 9.732 -24.076 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.035 10.300 -22.158 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.335 11.092 -21.929 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.178 9.547 -21.409 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.482 9.229 -23.016 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.082 8.165 -21.647 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.764 10.444 -19.593 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.609 9.099 -19.758 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.040 10.781 -19.878 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.037 7.181 -22.403 1.00 0.00 N ATOM 1141 CA CYS A 76 -19.747 5.811 -21.993 1.00 0.00 C ATOM 1142 C CYS A 76 -19.967 4.840 -23.148 1.00 0.00 C ATOM 1143 O CYS A 76 -20.664 5.138 -24.118 1.00 0.00 O ATOM 1144 CB CYS A 76 -20.625 5.417 -20.804 1.00 0.00 C ATOM 1145 SG CYS A 76 -19.940 5.880 -19.196 1.00 0.00 S ATOM 0 H CYS A 76 -20.715 7.260 -23.161 1.00 0.00 H new ATOM 0 HA CYS A 76 -18.700 5.760 -21.695 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -21.603 5.884 -20.918 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.782 4.339 -20.823 1.00 0.00 H new ATOM 0 HG CYS A 76 -19.183 6.928 -19.332 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.358 3.649 -23.044 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.472 2.610 -24.071 1.00 0.00 C ATOM 1153 C PRO A 77 -20.868 2.000 -24.127 1.00 0.00 C ATOM 1154 O PRO A 77 -21.268 1.436 -25.145 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.448 1.561 -23.630 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.318 1.755 -22.158 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.512 3.226 -21.916 1.00 0.00 C ATOM 0 HA PRO A 77 -19.294 3.005 -25.071 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.786 0.553 -23.868 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.492 1.704 -24.134 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.063 1.169 -21.620 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.340 1.427 -21.806 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -18.996 3.415 -20.958 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.562 3.760 -21.904 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.605 2.119 -23.027 1.00 0.00 N ATOM 1166 CA GLU A 78 -22.957 1.578 -22.953 1.00 0.00 C ATOM 1167 C GLU A 78 -23.991 2.649 -23.290 1.00 0.00 C ATOM 1168 O GLU A 78 -25.133 2.590 -22.837 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.229 1.014 -21.557 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.338 -0.162 -21.192 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.172 -1.144 -22.335 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -23.071 -1.990 -22.526 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -21.143 -1.068 -23.038 1.00 0.00 O ATOM 0 H GLU A 78 -21.289 2.585 -22.176 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.039 0.774 -23.685 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.091 1.806 -20.821 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.272 0.702 -21.497 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.358 0.209 -20.891 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.761 -0.680 -20.331 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.580 3.629 -24.090 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.481 4.700 -24.474 1.00 0.00 C ATOM 1182 C GLY A 79 -25.684 4.196 -25.247 1.00 0.00 C ATOM 1183 O GLY A 79 -26.824 4.383 -24.825 1.00 0.00 O ATOM 0 H GLY A 79 -22.640 3.700 -24.479 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.820 5.223 -23.580 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -23.940 5.425 -25.082 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.429 3.557 -26.385 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.500 3.025 -27.218 1.00 0.00 C ATOM 1189 C ALA A 80 -27.450 2.155 -26.402 1.00 0.00 C ATOM 1190 O ALA A 80 -28.638 2.060 -26.710 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.920 2.231 -28.379 1.00 0.00 C ATOM 0 H ALA A 80 -24.490 3.396 -26.750 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.070 3.865 -27.615 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.731 1.839 -28.993 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.288 2.881 -28.984 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.325 1.403 -27.993 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.919 1.522 -25.361 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.720 0.658 -24.503 1.00 0.00 C ATOM 1199 C ARG A 81 -28.606 1.484 -23.575 1.00 0.00 C ATOM 1200 O ARG A 81 -29.733 1.096 -23.267 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.814 -0.258 -23.677 1.00 0.00 C ATOM 1202 CG ARG A 81 -25.726 -0.935 -24.494 1.00 0.00 C ATOM 1203 CD ARG A 81 -25.783 -2.448 -24.352 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.617 -3.063 -25.381 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.211 -3.272 -26.628 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -24.988 -2.919 -26.999 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -27.028 -3.838 -27.508 1.00 0.00 N ATOM 0 H ARG A 81 -25.938 1.591 -25.092 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.359 0.047 -25.140 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.350 0.325 -22.882 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.425 -1.022 -23.197 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.835 -0.663 -25.544 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -24.749 -0.575 -24.171 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -24.774 -2.856 -24.411 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -26.173 -2.705 -23.367 1.00 0.00 H new ATOM 0 HE ARG A 81 -27.563 -3.348 -25.128 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -24.356 -2.486 -26.326 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -24.679 -3.081 -27.958 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -27.969 -4.113 -27.227 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.715 -3.998 -28.465 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.089 2.627 -23.133 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.833 3.508 -22.242 1.00 0.00 C ATOM 1223 C VAL A 82 -29.921 4.263 -22.998 1.00 0.00 C ATOM 1224 O VAL A 82 -31.069 4.327 -22.557 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.904 4.524 -21.553 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.697 5.427 -20.620 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.796 3.805 -20.798 1.00 0.00 C ATOM 0 H VAL A 82 -27.158 2.964 -23.378 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.294 2.875 -21.484 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.445 5.148 -22.320 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -28.023 6.138 -20.142 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.451 5.969 -21.192 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.186 4.822 -19.857 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.148 4.538 -20.317 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.234 3.155 -20.040 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.210 3.206 -21.495 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.553 4.833 -24.140 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.497 5.586 -24.958 1.00 0.00 C ATOM 1239 C TYR A 83 -31.739 4.754 -25.262 1.00 0.00 C ATOM 1240 O TYR A 83 -32.866 5.236 -25.150 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.834 6.028 -26.263 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.762 6.780 -27.190 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.127 8.094 -26.925 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.274 6.175 -28.332 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -31.976 8.783 -27.768 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.122 6.858 -29.182 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.471 8.162 -28.896 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.315 8.846 -29.740 1.00 0.00 O ATOM 0 H TYR A 83 -28.608 4.788 -24.520 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.802 6.469 -24.396 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.977 6.660 -26.029 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.450 5.149 -26.781 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.740 8.585 -26.044 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -31.004 5.154 -28.558 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.251 9.803 -27.545 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.510 6.374 -30.066 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.572 8.266 -30.487 1.00 0.00 H new ATOM 1258 N SER A 84 -31.523 3.500 -25.647 1.00 0.00 N ATOM 1259 CA SER A 84 -32.624 2.599 -25.971 1.00 0.00 C ATOM 1260 C SER A 84 -33.538 2.404 -24.765 1.00 0.00 C ATOM 1261 O SER A 84 -34.701 2.030 -24.910 1.00 0.00 O ATOM 1262 CB SER A 84 -32.083 1.247 -26.440 1.00 0.00 C ATOM 1263 OG SER A 84 -33.057 0.542 -27.190 1.00 0.00 O ATOM 0 H SER A 84 -30.596 3.085 -25.742 1.00 0.00 H new ATOM 0 HA SER A 84 -33.205 3.049 -26.776 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.191 1.399 -27.048 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.783 0.652 -25.577 1.00 0.00 H new ATOM 0 HG SER A 84 -32.687 -0.318 -27.480 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.002 2.659 -23.576 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.769 2.510 -22.345 1.00 0.00 C ATOM 1271 C GLN A 85 -34.470 3.814 -21.979 1.00 0.00 C ATOM 1272 O GLN A 85 -35.467 3.812 -21.257 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.855 2.071 -21.200 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.649 0.566 -21.128 1.00 0.00 C ATOM 1275 CD GLN A 85 -33.956 -0.198 -21.045 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.561 -0.301 -19.978 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.398 -0.739 -22.174 1.00 0.00 N ATOM 0 H GLN A 85 -32.040 2.970 -23.439 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.527 1.745 -22.510 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -31.886 2.557 -21.313 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.277 2.417 -20.256 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.095 0.236 -22.007 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.037 0.328 -20.258 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -33.864 -0.628 -23.036 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.272 -1.265 -22.180 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.943 4.925 -22.483 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.519 6.236 -22.209 1.00 0.00 C ATOM 1288 C ILE A 86 -35.606 6.581 -23.223 1.00 0.00 C ATOM 1289 O ILE A 86 -36.579 7.263 -22.899 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.445 7.339 -22.230 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.346 7.030 -21.210 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.073 8.695 -21.945 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.053 7.769 -21.473 1.00 0.00 C ATOM 0 H ILE A 86 -33.118 4.943 -23.083 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.957 6.186 -21.212 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.996 7.370 -23.223 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.705 7.285 -20.213 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.149 5.958 -21.213 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.301 9.464 -21.963 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.823 8.915 -22.704 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.545 8.678 -20.963 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.320 7.502 -20.712 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.671 7.495 -22.456 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.235 8.843 -21.441 1.00 0.00 H new ATOM 1305 N THR A 87 -35.434 6.103 -24.452 1.00 0.00 N ATOM 1306 CA THR A 87 -36.399 6.360 -25.513 1.00 0.00 C ATOM 1307 C THR A 87 -37.803 5.942 -25.092 1.00 0.00 C ATOM 1308 O THR A 87 -38.789 6.579 -25.462 1.00 0.00 O ATOM 1309 CB THR A 87 -36.021 5.617 -26.808 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.993 5.880 -27.826 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.927 4.118 -26.565 1.00 0.00 C ATOM 0 H THR A 87 -34.635 5.536 -24.736 1.00 0.00 H new ATOM 0 HA THR A 87 -36.384 7.434 -25.701 1.00 0.00 H new ATOM 0 HB THR A 87 -35.046 5.978 -27.135 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.744 5.405 -28.646 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.659 3.615 -27.494 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.165 3.919 -25.811 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.890 3.745 -26.215 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.888 4.866 -24.315 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.172 4.364 -23.842 1.00 0.00 C ATOM 1321 C VAL A 88 -39.767 5.286 -22.784 1.00 0.00 C ATOM 1322 O VAL A 88 -40.982 5.323 -22.592 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.038 2.946 -23.255 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.120 2.955 -22.042 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.406 2.388 -22.895 1.00 0.00 C ATOM 0 H VAL A 88 -37.082 4.326 -24.000 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.836 4.331 -24.705 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.594 2.298 -24.011 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.037 1.945 -21.641 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.132 3.311 -22.336 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.532 3.616 -21.279 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.293 1.386 -22.482 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.879 3.034 -22.156 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.028 2.344 -23.789 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.902 6.029 -22.101 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.343 6.952 -21.061 1.00 0.00 C ATOM 1337 C GLN A 89 -39.935 8.217 -21.672 1.00 0.00 C ATOM 1338 O GLN A 89 -41.057 8.610 -21.349 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.175 7.313 -20.142 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.445 6.104 -19.581 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.383 5.104 -18.934 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.313 3.905 -19.204 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.269 5.593 -18.074 1.00 0.00 N ATOM 0 H GLN A 89 -37.893 6.010 -22.249 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.117 6.457 -20.475 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.467 7.930 -20.694 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.548 7.918 -19.315 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.894 5.613 -20.383 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.711 6.436 -18.846 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.292 6.594 -17.879 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -39.926 4.968 -17.608 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.175 8.853 -22.557 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.624 10.074 -23.216 1.00 0.00 C ATOM 1354 C LYS A 90 -40.932 9.839 -23.964 1.00 0.00 C ATOM 1355 O LYS A 90 -41.853 10.652 -23.893 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.553 10.579 -24.185 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.314 11.122 -23.494 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.062 10.875 -24.318 1.00 0.00 C ATOM 1359 CE LYS A 90 -36.000 11.797 -25.527 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.822 11.284 -26.658 1.00 0.00 N ATOM 0 H LYS A 90 -38.244 8.543 -22.835 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.795 10.829 -22.449 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.261 9.764 -24.848 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.982 11.361 -24.811 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.432 12.192 -23.322 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.206 10.652 -22.517 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.180 11.028 -23.696 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.042 9.837 -24.649 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.350 12.790 -25.245 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.964 11.904 -25.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.392 11.574 -27.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.865 10.246 -26.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.784 11.674 -26.593 1.00 0.00 H new