USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -1.08 K(o=0.28,f=-3.9!) USER MOD Set 1.2: A 52 THR OG1 : rot 104:sc= 1.2 USER MOD Set 1.3: A 76 CYS SG : rot -10:sc= 0.157 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= 0.981 USER MOD Single : A 29 ASN : amide:sc= -1.67 X(o=-1.7,f=-1.7) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00942 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0788 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= -0.172 K(o=-0.17,f=-1.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.52! C(o=-2.5!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.31 K(o=-2.3,f=-3.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 71:sc= 0.655 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= -1.41 K(o=-1.4,f=-4.1!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.61! C(o=-2.6!,f=-4.4!) USER MOD Single : A 90 LYS NZ :NH3+ -152:sc= -0.23 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.397 1.314 -11.294 1.00 0.00 N ATOM 391 CA ILE A 28 -37.781 2.634 -11.339 1.00 0.00 C ATOM 392 C ILE A 28 -38.030 3.311 -12.682 1.00 0.00 C ATOM 393 O ILE A 28 -38.019 2.662 -13.727 1.00 0.00 O ATOM 394 CB ILE A 28 -36.264 2.556 -11.089 1.00 0.00 C ATOM 395 CG1 ILE A 28 -35.973 1.727 -9.836 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.677 3.953 -10.954 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.568 2.312 -8.573 1.00 0.00 C ATOM 0 HA ILE A 28 -38.241 3.224 -10.547 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.795 2.067 -11.943 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.362 0.719 -9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.894 1.637 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.604 3.881 -10.778 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.857 4.514 -11.871 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.149 4.467 -10.116 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.322 1.673 -7.725 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.160 3.309 -8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.651 2.376 -8.677 1.00 0.00 H new ATOM 409 N ASN A 29 -38.252 4.621 -12.646 1.00 0.00 N ATOM 410 CA ASN A 29 -38.502 5.388 -13.862 1.00 0.00 C ATOM 411 C ASN A 29 -38.098 6.847 -13.677 1.00 0.00 C ATOM 412 O ASN A 29 -38.066 7.356 -12.556 1.00 0.00 O ATOM 413 CB ASN A 29 -39.979 5.301 -14.249 1.00 0.00 C ATOM 414 CG ASN A 29 -40.473 3.869 -14.329 1.00 0.00 C ATOM 415 OD1 ASN A 29 -41.068 3.352 -13.383 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.228 3.221 -15.462 1.00 0.00 N ATOM 0 H ASN A 29 -38.264 5.174 -11.789 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.898 4.961 -14.662 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.576 5.848 -13.519 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.129 5.788 -15.212 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -40.536 2.255 -15.574 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -39.731 3.689 -16.220 1.00 0.00 H new ATOM 423 N ILE A 30 -37.791 7.515 -14.784 1.00 0.00 N ATOM 424 CA ILE A 30 -37.391 8.916 -14.744 1.00 0.00 C ATOM 425 C ILE A 30 -38.202 9.747 -15.733 1.00 0.00 C ATOM 426 O ILE A 30 -38.753 9.220 -16.700 1.00 0.00 O ATOM 427 CB ILE A 30 -35.893 9.083 -15.057 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.505 8.232 -16.269 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.053 8.704 -13.846 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.036 8.316 -16.620 1.00 0.00 C ATOM 0 H ILE A 30 -37.812 7.109 -15.719 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.583 9.271 -13.731 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.701 10.129 -15.295 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.764 7.192 -16.071 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.095 8.549 -17.129 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.996 8.827 -14.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.314 9.348 -13.006 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.246 7.665 -13.580 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.833 7.688 -17.488 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.775 9.349 -16.850 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.440 7.971 -15.775 1.00 0.00 H new ATOM 442 N THR A 31 -38.269 11.052 -15.486 1.00 0.00 N ATOM 443 CA THR A 31 -39.010 11.957 -16.355 1.00 0.00 C ATOM 444 C THR A 31 -38.192 13.202 -16.679 1.00 0.00 C ATOM 445 O THR A 31 -37.059 13.348 -16.221 1.00 0.00 O ATOM 446 CB THR A 31 -40.344 12.385 -15.713 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.145 12.688 -14.328 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.388 11.288 -15.853 1.00 0.00 C ATOM 0 H THR A 31 -37.819 11.505 -14.691 1.00 0.00 H new ATOM 0 HA THR A 31 -39.217 11.412 -17.276 1.00 0.00 H new ATOM 0 HB THR A 31 -40.703 13.274 -16.231 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.997 12.961 -13.927 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.321 11.613 -15.393 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.558 11.080 -16.909 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.034 10.384 -15.358 1.00 0.00 H new ATOM 456 N TYR A 32 -38.774 14.097 -17.470 1.00 0.00 N ATOM 457 CA TYR A 32 -38.097 15.329 -17.856 1.00 0.00 C ATOM 458 C TYR A 32 -37.890 16.238 -16.648 1.00 0.00 C ATOM 459 O TYR A 32 -37.117 17.195 -16.703 1.00 0.00 O ATOM 460 CB TYR A 32 -38.904 16.064 -18.929 1.00 0.00 C ATOM 461 CG TYR A 32 -38.461 15.749 -20.340 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.203 16.125 -20.795 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.302 15.077 -21.219 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.795 15.841 -22.083 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.901 14.787 -22.509 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.647 15.171 -22.936 1.00 0.00 C ATOM 467 OH TYR A 32 -37.245 14.885 -24.221 1.00 0.00 O ATOM 0 H TYR A 32 -39.712 13.992 -17.856 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.120 15.066 -18.262 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.957 15.805 -18.821 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.821 17.138 -18.762 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.533 16.649 -20.129 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.285 14.777 -20.888 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.814 16.142 -22.421 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.566 14.263 -23.179 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.962 14.409 -24.690 1.00 0.00 H new ATOM 477 N ASP A 33 -38.585 15.931 -15.559 1.00 0.00 N ATOM 478 CA ASP A 33 -38.477 16.718 -14.336 1.00 0.00 C ATOM 479 C ASP A 33 -37.979 15.858 -13.179 1.00 0.00 C ATOM 480 O ASP A 33 -38.417 16.019 -12.039 1.00 0.00 O ATOM 481 CB ASP A 33 -39.830 17.338 -13.982 1.00 0.00 C ATOM 482 CG ASP A 33 -39.712 18.795 -13.580 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.120 19.578 -14.352 1.00 0.00 O ATOM 484 OD2 ASP A 33 -40.212 19.152 -12.493 1.00 0.00 O ATOM 0 H ASP A 33 -39.229 15.143 -15.498 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.755 17.516 -14.509 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.500 17.253 -14.838 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.282 16.774 -13.166 1.00 0.00 H new ATOM 489 N SER A 34 -37.062 14.944 -13.479 1.00 0.00 N ATOM 490 CA SER A 34 -36.508 14.055 -12.465 1.00 0.00 C ATOM 491 C SER A 34 -35.196 14.608 -11.916 1.00 0.00 C ATOM 492 O SER A 34 -34.628 15.553 -12.464 1.00 0.00 O ATOM 493 CB SER A 34 -36.282 12.659 -13.048 1.00 0.00 C ATOM 494 OG SER A 34 -37.468 11.886 -12.994 1.00 0.00 O ATOM 0 H SER A 34 -36.687 14.800 -14.416 1.00 0.00 H new ATOM 0 HA SER A 34 -37.225 13.987 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.946 12.743 -14.081 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.490 12.154 -12.495 1.00 0.00 H new ATOM 0 HG SER A 34 -37.311 11.083 -12.454 1.00 0.00 H new ATOM 500 N THR A 35 -34.718 14.011 -10.829 1.00 0.00 N ATOM 501 CA THR A 35 -33.474 14.442 -10.204 1.00 0.00 C ATOM 502 C THR A 35 -32.296 13.603 -10.687 1.00 0.00 C ATOM 503 O THR A 35 -32.452 12.461 -11.120 1.00 0.00 O ATOM 504 CB THR A 35 -33.556 14.355 -8.668 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.191 13.041 -8.232 1.00 0.00 O ATOM 506 CG2 THR A 35 -34.960 14.684 -8.183 1.00 0.00 C ATOM 0 H THR A 35 -35.174 13.227 -10.363 1.00 0.00 H new ATOM 0 HA THR A 35 -33.319 15.481 -10.494 1.00 0.00 H new ATOM 0 HB THR A 35 -32.863 15.083 -8.246 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.244 12.994 -7.255 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.995 14.616 -7.096 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.224 15.695 -8.492 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.669 13.976 -8.613 1.00 0.00 H new ATOM 514 N PRO A 36 -31.087 14.179 -10.611 1.00 0.00 N ATOM 515 CA PRO A 36 -29.859 13.501 -11.035 1.00 0.00 C ATOM 516 C PRO A 36 -29.479 12.355 -10.103 1.00 0.00 C ATOM 517 O PRO A 36 -28.561 11.588 -10.392 1.00 0.00 O ATOM 518 CB PRO A 36 -28.804 14.609 -10.977 1.00 0.00 C ATOM 519 CG PRO A 36 -29.329 15.580 -9.977 1.00 0.00 C ATOM 520 CD PRO A 36 -30.827 15.538 -10.105 1.00 0.00 C ATOM 0 HA PRO A 36 -29.964 13.045 -12.019 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.833 14.216 -10.675 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.669 15.078 -11.951 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.016 15.309 -8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.949 16.583 -10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.317 15.711 -9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.193 16.300 -10.793 1.00 0.00 H new ATOM 528 N GLU A 37 -30.191 12.245 -8.987 1.00 0.00 N ATOM 529 CA GLU A 37 -29.927 11.191 -8.014 1.00 0.00 C ATOM 530 C GLU A 37 -30.843 9.993 -8.246 1.00 0.00 C ATOM 531 O GLU A 37 -30.517 8.867 -7.873 1.00 0.00 O ATOM 532 CB GLU A 37 -30.115 11.722 -6.591 1.00 0.00 C ATOM 533 CG GLU A 37 -29.065 11.223 -5.612 1.00 0.00 C ATOM 534 CD GLU A 37 -28.588 12.307 -4.665 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.309 12.603 -3.689 1.00 0.00 O ATOM 536 OE2 GLU A 37 -27.493 12.861 -4.901 1.00 0.00 O ATOM 0 H GLU A 37 -30.955 12.872 -8.734 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.894 10.866 -8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.091 12.812 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.102 11.432 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.477 10.396 -5.034 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.213 10.830 -6.167 1.00 0.00 H new ATOM 543 N ASP A 38 -31.992 10.246 -8.865 1.00 0.00 N ATOM 544 CA ASP A 38 -32.956 9.189 -9.148 1.00 0.00 C ATOM 545 C ASP A 38 -32.571 8.427 -10.412 1.00 0.00 C ATOM 546 O ASP A 38 -32.885 7.245 -10.556 1.00 0.00 O ATOM 547 CB ASP A 38 -34.360 9.778 -9.300 1.00 0.00 C ATOM 548 CG ASP A 38 -35.162 9.700 -8.016 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.702 10.252 -6.994 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.251 9.089 -8.033 1.00 0.00 O ATOM 0 H ASP A 38 -32.278 11.173 -9.180 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.951 8.492 -8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.282 10.819 -9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.891 9.246 -10.089 1.00 0.00 H new ATOM 555 N VAL A 39 -31.890 9.111 -11.326 1.00 0.00 N ATOM 556 CA VAL A 39 -31.463 8.499 -12.578 1.00 0.00 C ATOM 557 C VAL A 39 -30.404 7.430 -12.333 1.00 0.00 C ATOM 558 O VAL A 39 -30.345 6.425 -13.042 1.00 0.00 O ATOM 559 CB VAL A 39 -30.899 9.550 -13.553 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.408 8.885 -14.829 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.950 10.606 -13.862 1.00 0.00 C ATOM 0 H VAL A 39 -31.622 10.090 -11.222 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.345 8.038 -13.022 1.00 0.00 H new ATOM 0 HB VAL A 39 -30.050 10.042 -13.079 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -30.013 9.643 -15.506 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.622 8.170 -14.587 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.236 8.365 -15.310 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.535 11.341 -14.552 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.820 10.132 -14.316 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.249 11.103 -12.939 1.00 0.00 H new ATOM 571 N LYS A 40 -29.568 7.652 -11.324 1.00 0.00 N ATOM 572 CA LYS A 40 -28.511 6.708 -10.983 1.00 0.00 C ATOM 573 C LYS A 40 -29.092 5.333 -10.665 1.00 0.00 C ATOM 574 O LYS A 40 -28.580 4.311 -11.121 1.00 0.00 O ATOM 575 CB LYS A 40 -27.706 7.222 -9.787 1.00 0.00 C ATOM 576 CG LYS A 40 -26.203 7.169 -9.999 1.00 0.00 C ATOM 577 CD LYS A 40 -25.488 8.238 -9.190 1.00 0.00 C ATOM 578 CE LYS A 40 -25.137 7.741 -7.796 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.679 7.861 -7.515 1.00 0.00 N ATOM 0 H LYS A 40 -29.603 8.479 -10.728 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.850 6.614 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.999 8.251 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -27.962 6.632 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.829 6.185 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.979 7.302 -11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.579 8.541 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.121 9.122 -9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.698 8.311 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.442 6.699 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.480 7.512 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.145 7.297 -8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.393 8.858 -7.587 1.00 0.00 H new ATOM 593 N THR A 41 -30.165 5.316 -9.880 1.00 0.00 N ATOM 594 CA THR A 41 -30.815 4.068 -9.502 1.00 0.00 C ATOM 595 C THR A 41 -31.573 3.464 -10.678 1.00 0.00 C ATOM 596 O THR A 41 -31.707 2.245 -10.782 1.00 0.00 O ATOM 597 CB THR A 41 -31.792 4.277 -8.329 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.088 4.781 -7.189 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.488 2.973 -7.966 1.00 0.00 C ATOM 0 H THR A 41 -30.602 6.153 -9.494 1.00 0.00 H new ATOM 0 HA THR A 41 -30.026 3.382 -9.192 1.00 0.00 H new ATOM 0 HB THR A 41 -32.547 5.000 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.716 4.913 -6.448 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.173 3.145 -7.136 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.047 2.607 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.744 2.232 -7.675 1.00 0.00 H new ATOM 607 N TRP A 42 -32.066 4.324 -11.562 1.00 0.00 N ATOM 608 CA TRP A 42 -32.811 3.874 -12.733 1.00 0.00 C ATOM 609 C TRP A 42 -31.921 3.057 -13.663 1.00 0.00 C ATOM 610 O TRP A 42 -32.377 2.103 -14.295 1.00 0.00 O ATOM 611 CB TRP A 42 -33.392 5.072 -13.485 1.00 0.00 C ATOM 612 CG TRP A 42 -34.110 4.692 -14.744 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.382 4.206 -14.847 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.597 4.764 -16.079 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.691 3.972 -16.165 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.613 4.307 -16.941 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.379 5.172 -16.630 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.445 4.247 -18.322 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.215 5.112 -18.000 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.243 4.652 -18.834 1.00 0.00 C ATOM 0 H TRP A 42 -31.964 5.336 -11.491 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.628 3.238 -12.391 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.081 5.604 -12.829 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.586 5.764 -13.730 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.047 4.031 -14.014 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.579 3.608 -16.510 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.580 5.528 -15.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.236 3.893 -18.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.278 5.425 -18.436 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.083 4.617 -19.902 1.00 0.00 H new ATOM 631 N LEU A 43 -30.650 3.435 -13.742 1.00 0.00 N ATOM 632 CA LEU A 43 -29.696 2.737 -14.596 1.00 0.00 C ATOM 633 C LEU A 43 -29.276 1.410 -13.971 1.00 0.00 C ATOM 634 O LEU A 43 -29.177 0.394 -14.658 1.00 0.00 O ATOM 635 CB LEU A 43 -28.464 3.610 -14.839 1.00 0.00 C ATOM 636 CG LEU A 43 -28.733 5.012 -15.388 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.840 6.034 -14.702 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.525 5.044 -16.895 1.00 0.00 C ATOM 0 H LEU A 43 -30.256 4.221 -13.225 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.182 2.532 -15.550 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.921 3.708 -13.899 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.806 3.089 -15.534 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.771 5.270 -15.180 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.045 7.026 -15.105 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.039 6.030 -13.630 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.795 5.780 -14.878 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.721 6.049 -17.268 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.497 4.765 -17.126 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.208 4.341 -17.372 1.00 0.00 H new ATOM 650 N GLN A 44 -29.034 1.427 -12.664 1.00 0.00 N ATOM 651 CA GLN A 44 -28.627 0.224 -11.947 1.00 0.00 C ATOM 652 C GLN A 44 -29.724 -0.834 -11.993 1.00 0.00 C ATOM 653 O GLN A 44 -29.458 -2.006 -12.257 1.00 0.00 O ATOM 654 CB GLN A 44 -28.287 0.562 -10.494 1.00 0.00 C ATOM 655 CG GLN A 44 -26.934 1.234 -10.326 1.00 0.00 C ATOM 656 CD GLN A 44 -25.871 0.285 -9.810 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.047 -0.933 -9.830 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.758 0.840 -9.343 1.00 0.00 N ATOM 0 H GLN A 44 -29.113 2.260 -12.080 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.740 -0.178 -12.436 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.061 1.216 -10.091 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.304 -0.354 -9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.615 1.644 -11.284 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.032 2.073 -9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.654 1.855 -9.345 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.007 0.251 -8.982 1.00 0.00 H new ATOM 667 N SER A 45 -30.957 -0.412 -11.732 1.00 0.00 N ATOM 668 CA SER A 45 -32.095 -1.325 -11.739 1.00 0.00 C ATOM 669 C SER A 45 -32.142 -2.124 -13.038 1.00 0.00 C ATOM 670 O SER A 45 -32.271 -3.348 -13.023 1.00 0.00 O ATOM 671 CB SER A 45 -33.400 -0.548 -11.558 1.00 0.00 C ATOM 672 OG SER A 45 -34.500 -1.268 -12.087 1.00 0.00 O ATOM 0 H SER A 45 -31.194 0.556 -11.513 1.00 0.00 H new ATOM 0 HA SER A 45 -31.976 -2.021 -10.908 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.566 -0.351 -10.499 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.322 0.420 -12.054 1.00 0.00 H new ATOM 0 HG SER A 45 -35.322 -0.751 -11.957 1.00 0.00 H new ATOM 678 N LYS A 46 -32.035 -1.423 -14.161 1.00 0.00 N ATOM 679 CA LYS A 46 -32.064 -2.064 -15.470 1.00 0.00 C ATOM 680 C LYS A 46 -30.944 -3.092 -15.597 1.00 0.00 C ATOM 681 O LYS A 46 -31.082 -4.090 -16.303 1.00 0.00 O ATOM 682 CB LYS A 46 -31.935 -1.016 -16.578 1.00 0.00 C ATOM 683 CG LYS A 46 -33.098 -0.040 -16.629 1.00 0.00 C ATOM 684 CD LYS A 46 -34.404 -0.745 -16.953 1.00 0.00 C ATOM 685 CE LYS A 46 -35.548 0.245 -17.112 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.870 -0.387 -16.848 1.00 0.00 N ATOM 0 H LYS A 46 -31.927 -0.409 -14.191 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.020 -2.578 -15.573 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.010 -0.459 -16.434 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.855 -1.523 -17.539 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.188 0.471 -15.670 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -32.900 0.724 -17.380 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.290 -1.321 -17.871 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.642 -1.454 -16.160 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.402 1.081 -16.428 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.536 0.654 -18.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.623 0.321 -16.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.021 -1.169 -17.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -36.891 -0.755 -15.875 1.00 0.00 H new ATOM 700 N GLY A 47 -29.836 -2.842 -14.906 1.00 0.00 N ATOM 701 CA GLY A 47 -28.710 -3.756 -14.954 1.00 0.00 C ATOM 702 C GLY A 47 -27.547 -3.202 -15.752 1.00 0.00 C ATOM 703 O GLY A 47 -26.728 -3.957 -16.276 1.00 0.00 O ATOM 0 H GLY A 47 -29.698 -2.023 -14.314 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.379 -3.973 -13.938 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.031 -4.700 -15.394 1.00 0.00 H new ATOM 707 N PHE A 48 -27.474 -1.878 -15.847 1.00 0.00 N ATOM 708 CA PHE A 48 -26.404 -1.223 -16.589 1.00 0.00 C ATOM 709 C PHE A 48 -25.116 -1.188 -15.771 1.00 0.00 C ATOM 710 O PHE A 48 -25.148 -1.049 -14.549 1.00 0.00 O ATOM 711 CB PHE A 48 -26.817 0.200 -16.972 1.00 0.00 C ATOM 712 CG PHE A 48 -27.771 0.256 -18.130 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.325 0.038 -19.424 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.115 0.526 -17.926 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.201 0.089 -20.492 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.995 0.579 -18.990 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.538 0.359 -20.274 1.00 0.00 C ATOM 0 H PHE A 48 -28.143 -1.238 -15.419 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.221 -1.798 -17.497 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.277 0.681 -16.109 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.924 0.775 -17.219 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.281 -0.174 -19.600 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.479 0.697 -16.924 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.841 -0.082 -21.496 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.040 0.792 -18.817 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.225 0.398 -21.107 1.00 0.00 H new ATOM 727 N ASN A 49 -23.984 -1.315 -16.455 1.00 0.00 N ATOM 728 CA ASN A 49 -22.685 -1.300 -15.792 1.00 0.00 C ATOM 729 C ASN A 49 -22.542 -0.068 -14.903 1.00 0.00 C ATOM 730 O ASN A 49 -23.192 0.957 -15.111 1.00 0.00 O ATOM 731 CB ASN A 49 -21.560 -1.327 -16.829 1.00 0.00 C ATOM 732 CG ASN A 49 -21.464 -0.032 -17.612 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.365 0.806 -17.560 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.369 0.137 -18.345 1.00 0.00 N ATOM 0 H ASN A 49 -23.940 -1.429 -17.468 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.615 -2.189 -15.165 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.611 -1.516 -16.327 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.726 -2.154 -17.519 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.249 0.988 -18.895 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.648 -0.584 -18.358 1.00 0.00 H new ATOM 741 N PRO A 50 -21.671 -0.169 -13.888 1.00 0.00 N ATOM 742 CA PRO A 50 -21.422 0.927 -12.947 1.00 0.00 C ATOM 743 C PRO A 50 -20.681 2.091 -13.597 1.00 0.00 C ATOM 744 O PRO A 50 -20.802 3.237 -13.163 1.00 0.00 O ATOM 745 CB PRO A 50 -20.554 0.277 -11.867 1.00 0.00 C ATOM 746 CG PRO A 50 -19.883 -0.861 -12.554 1.00 0.00 C ATOM 747 CD PRO A 50 -20.862 -1.360 -13.581 1.00 0.00 C ATOM 0 HA PRO A 50 -22.349 1.357 -12.567 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.826 0.983 -11.467 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.158 -0.068 -11.028 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.954 -0.540 -13.024 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.626 -1.648 -11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.355 -1.741 -14.468 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.475 -2.172 -13.191 1.00 0.00 H new ATOM 755 N VAL A 51 -19.914 1.791 -14.639 1.00 0.00 N ATOM 756 CA VAL A 51 -19.154 2.812 -15.350 1.00 0.00 C ATOM 757 C VAL A 51 -20.080 3.839 -15.991 1.00 0.00 C ATOM 758 O VAL A 51 -19.679 4.971 -16.262 1.00 0.00 O ATOM 759 CB VAL A 51 -18.261 2.191 -16.440 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.500 3.275 -17.188 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.303 1.179 -15.831 1.00 0.00 C ATOM 0 H VAL A 51 -19.802 0.848 -15.010 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.522 3.307 -14.612 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.898 1.669 -17.154 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.874 2.817 -17.954 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.208 3.958 -17.658 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.872 3.827 -16.489 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.680 0.750 -16.616 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.670 1.674 -15.095 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.872 0.386 -15.345 1.00 0.00 H new ATOM 771 N THR A 52 -21.325 3.437 -16.231 1.00 0.00 N ATOM 772 CA THR A 52 -22.309 4.322 -16.842 1.00 0.00 C ATOM 773 C THR A 52 -23.128 5.048 -15.781 1.00 0.00 C ATOM 774 O THR A 52 -23.380 6.248 -15.890 1.00 0.00 O ATOM 775 CB THR A 52 -23.264 3.546 -17.768 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.538 3.006 -18.878 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.379 4.448 -18.275 1.00 0.00 C ATOM 0 H THR A 52 -21.675 2.504 -16.011 1.00 0.00 H new ATOM 0 HA THR A 52 -21.755 5.051 -17.433 1.00 0.00 H new ATOM 0 HB THR A 52 -23.709 2.733 -17.195 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.401 2.045 -18.743 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.040 3.877 -18.927 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.948 4.834 -17.429 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.949 5.280 -18.833 1.00 0.00 H new ATOM 785 N VAL A 53 -23.541 4.314 -14.753 1.00 0.00 N ATOM 786 CA VAL A 53 -24.330 4.889 -13.670 1.00 0.00 C ATOM 787 C VAL A 53 -23.545 5.964 -12.928 1.00 0.00 C ATOM 788 O VAL A 53 -24.124 6.835 -12.281 1.00 0.00 O ATOM 789 CB VAL A 53 -24.776 3.809 -12.666 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.643 4.420 -11.575 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.515 2.689 -13.381 1.00 0.00 C ATOM 0 H VAL A 53 -23.342 3.319 -14.647 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.213 5.338 -14.126 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.888 3.385 -12.197 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.949 3.642 -10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.075 5.184 -11.044 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.527 4.872 -12.024 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.822 1.935 -12.656 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.396 3.094 -13.879 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.857 2.234 -14.121 1.00 0.00 H new ATOM 801 N ASN A 54 -22.221 5.897 -13.029 1.00 0.00 N ATOM 802 CA ASN A 54 -21.355 6.866 -12.367 1.00 0.00 C ATOM 803 C ASN A 54 -21.236 8.143 -13.193 1.00 0.00 C ATOM 804 O ASN A 54 -21.237 9.248 -12.651 1.00 0.00 O ATOM 805 CB ASN A 54 -19.967 6.265 -12.134 1.00 0.00 C ATOM 806 CG ASN A 54 -19.594 6.224 -10.665 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.120 7.213 -10.105 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.806 5.075 -10.033 1.00 0.00 N ATOM 0 H ASN A 54 -21.725 5.183 -13.562 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.801 7.117 -11.405 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.939 5.254 -12.542 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.225 6.849 -12.678 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.574 4.987 -9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.201 4.281 -10.537 1.00 0.00 H new ATOM 815 N SER A 55 -21.133 7.983 -14.509 1.00 0.00 N ATOM 816 CA SER A 55 -21.011 9.122 -15.410 1.00 0.00 C ATOM 817 C SER A 55 -22.360 9.807 -15.607 1.00 0.00 C ATOM 818 O SER A 55 -22.458 11.034 -15.570 1.00 0.00 O ATOM 819 CB SER A 55 -20.452 8.673 -16.762 1.00 0.00 C ATOM 820 OG SER A 55 -19.249 9.356 -17.069 1.00 0.00 O ATOM 0 H SER A 55 -21.132 7.075 -14.974 1.00 0.00 H new ATOM 0 HA SER A 55 -20.323 9.837 -14.960 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.270 7.599 -16.745 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.189 8.859 -17.543 1.00 0.00 H new ATOM 0 HG SER A 55 -18.911 9.050 -17.937 1.00 0.00 H new ATOM 826 N LEU A 56 -23.398 9.005 -15.817 1.00 0.00 N ATOM 827 CA LEU A 56 -24.743 9.532 -16.020 1.00 0.00 C ATOM 828 C LEU A 56 -25.518 9.567 -14.707 1.00 0.00 C ATOM 829 O LEU A 56 -26.747 9.618 -14.701 1.00 0.00 O ATOM 830 CB LEU A 56 -25.495 8.682 -17.047 1.00 0.00 C ATOM 831 CG LEU A 56 -24.755 8.398 -18.354 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.544 7.421 -19.212 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.497 9.691 -19.113 1.00 0.00 C ATOM 0 H LEU A 56 -23.334 7.988 -15.851 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.655 10.551 -16.395 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.751 7.729 -16.583 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.434 9.182 -17.286 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.793 7.944 -18.114 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.002 7.231 -20.138 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.676 6.485 -18.670 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.520 7.847 -19.444 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.969 9.469 -20.041 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.447 10.174 -19.342 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.890 10.357 -18.501 1.00 0.00 H new ATOM 845 N GLY A 57 -24.790 9.543 -13.595 1.00 0.00 N ATOM 846 CA GLY A 57 -25.426 9.575 -12.291 1.00 0.00 C ATOM 847 C GLY A 57 -25.410 10.958 -11.672 1.00 0.00 C ATOM 848 O GLY A 57 -25.749 11.127 -10.501 1.00 0.00 O ATOM 0 H GLY A 57 -23.771 9.502 -13.574 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.457 9.234 -12.385 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.919 8.877 -11.626 1.00 0.00 H new ATOM 852 N VAL A 58 -25.012 11.953 -12.460 1.00 0.00 N ATOM 853 CA VAL A 58 -24.953 13.329 -11.982 1.00 0.00 C ATOM 854 C VAL A 58 -25.910 14.223 -12.762 1.00 0.00 C ATOM 855 O VAL A 58 -26.228 15.334 -12.334 1.00 0.00 O ATOM 856 CB VAL A 58 -23.527 13.901 -12.095 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.580 13.163 -11.160 1.00 0.00 C ATOM 858 CG2 VAL A 58 -23.035 13.827 -13.532 1.00 0.00 C ATOM 0 H VAL A 58 -24.726 11.831 -13.431 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.249 13.313 -10.933 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.550 14.949 -11.797 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.578 13.581 -11.254 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.925 13.273 -10.132 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.559 12.106 -11.424 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -22.026 14.235 -13.593 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -23.026 12.788 -13.860 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.700 14.405 -14.174 1.00 0.00 H new ATOM 868 N LEU A 59 -26.368 13.733 -13.908 1.00 0.00 N ATOM 869 CA LEU A 59 -27.291 14.487 -14.749 1.00 0.00 C ATOM 870 C LEU A 59 -28.738 14.148 -14.409 1.00 0.00 C ATOM 871 O LEU A 59 -29.081 12.985 -14.202 1.00 0.00 O ATOM 872 CB LEU A 59 -27.020 14.196 -16.226 1.00 0.00 C ATOM 873 CG LEU A 59 -25.704 14.734 -16.787 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.573 14.393 -18.263 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.609 16.238 -16.574 1.00 0.00 C ATOM 0 H LEU A 59 -26.115 12.816 -14.277 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.132 15.549 -14.559 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -27.039 13.116 -16.372 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.839 14.612 -16.813 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.882 14.259 -16.252 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.630 14.784 -18.645 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.595 13.311 -18.390 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.401 14.839 -18.814 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.666 16.604 -16.979 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.438 16.731 -17.082 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.655 16.458 -15.507 1.00 0.00 H new ATOM 887 N ASN A 60 -29.584 15.172 -14.354 1.00 0.00 N ATOM 888 CA ASN A 60 -30.995 14.982 -14.041 1.00 0.00 C ATOM 889 C ASN A 60 -31.731 14.341 -15.213 1.00 0.00 C ATOM 890 O ASN A 60 -31.231 14.320 -16.337 1.00 0.00 O ATOM 891 CB ASN A 60 -31.645 16.322 -13.687 1.00 0.00 C ATOM 892 CG ASN A 60 -31.434 17.369 -14.763 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.068 17.327 -15.818 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.540 18.315 -14.501 1.00 0.00 N ATOM 0 H ASN A 60 -29.316 16.142 -14.522 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.064 14.314 -13.183 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.714 16.175 -13.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.233 16.685 -12.745 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.355 19.046 -15.188 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.038 18.310 -13.613 1.00 0.00 H new ATOM 901 N GLY A 61 -32.924 13.820 -14.942 1.00 0.00 N ATOM 902 CA GLY A 61 -33.711 13.186 -15.984 1.00 0.00 C ATOM 903 C GLY A 61 -33.865 14.064 -17.210 1.00 0.00 C ATOM 904 O GLY A 61 -33.854 13.575 -18.338 1.00 0.00 O ATOM 0 H GLY A 61 -33.359 13.826 -14.020 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.239 12.246 -16.271 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.697 12.940 -15.591 1.00 0.00 H new ATOM 908 N ALA A 62 -34.013 15.366 -16.987 1.00 0.00 N ATOM 909 CA ALA A 62 -34.170 16.315 -18.082 1.00 0.00 C ATOM 910 C ALA A 62 -32.956 16.297 -19.004 1.00 0.00 C ATOM 911 O ALA A 62 -33.085 16.098 -20.212 1.00 0.00 O ATOM 912 CB ALA A 62 -34.400 17.717 -17.537 1.00 0.00 C ATOM 0 H ALA A 62 -34.027 15.787 -16.058 1.00 0.00 H new ATOM 0 HA ALA A 62 -35.041 16.016 -18.666 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.516 18.415 -18.366 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.303 17.726 -16.926 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.547 18.015 -16.928 1.00 0.00 H new ATOM 918 N GLN A 63 -31.777 16.505 -18.427 1.00 0.00 N ATOM 919 CA GLN A 63 -30.540 16.514 -19.198 1.00 0.00 C ATOM 920 C GLN A 63 -30.321 15.173 -19.891 1.00 0.00 C ATOM 921 O GLN A 63 -30.054 15.119 -21.092 1.00 0.00 O ATOM 922 CB GLN A 63 -29.350 16.832 -18.290 1.00 0.00 C ATOM 923 CG GLN A 63 -29.412 18.218 -17.669 1.00 0.00 C ATOM 924 CD GLN A 63 -28.433 19.186 -18.304 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.668 19.856 -17.610 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.452 19.265 -19.629 1.00 0.00 N ATOM 0 H GLN A 63 -31.653 16.670 -17.428 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.623 17.288 -19.961 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.302 16.088 -17.495 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.429 16.742 -18.867 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.423 18.612 -17.769 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.203 18.144 -16.602 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -29.103 18.691 -20.165 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.816 19.900 -20.111 1.00 0.00 H new ATOM 935 N LEU A 64 -30.436 14.092 -19.127 1.00 0.00 N ATOM 936 CA LEU A 64 -30.251 12.750 -19.668 1.00 0.00 C ATOM 937 C LEU A 64 -31.199 12.498 -20.836 1.00 0.00 C ATOM 938 O LEU A 64 -30.837 11.842 -21.813 1.00 0.00 O ATOM 939 CB LEU A 64 -30.479 11.703 -18.576 1.00 0.00 C ATOM 940 CG LEU A 64 -30.401 10.242 -19.020 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.387 9.482 -18.178 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.770 9.583 -18.932 1.00 0.00 C ATOM 0 H LEU A 64 -30.656 14.119 -18.131 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.227 12.670 -20.032 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.742 11.862 -17.788 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.460 11.876 -18.134 1.00 0.00 H new ATOM 0 HG LEU A 64 -30.074 10.215 -20.059 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.345 8.444 -18.508 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.404 9.939 -18.292 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.685 9.518 -17.130 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.695 8.544 -19.252 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.127 9.621 -17.903 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.471 10.112 -19.578 1.00 0.00 H new ATOM 954 N PHE A 65 -32.415 13.024 -20.729 1.00 0.00 N ATOM 955 CA PHE A 65 -33.415 12.857 -21.777 1.00 0.00 C ATOM 956 C PHE A 65 -33.005 13.603 -23.043 1.00 0.00 C ATOM 957 O PHE A 65 -33.464 13.284 -24.140 1.00 0.00 O ATOM 958 CB PHE A 65 -34.778 13.358 -21.295 1.00 0.00 C ATOM 959 CG PHE A 65 -35.569 12.321 -20.550 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.927 11.335 -19.818 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.954 12.333 -20.580 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.652 10.379 -19.132 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.685 11.380 -19.896 1.00 0.00 C ATOM 964 CZ PHE A 65 -37.033 10.402 -19.170 1.00 0.00 C ATOM 0 H PHE A 65 -32.731 13.569 -19.927 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.488 11.795 -22.010 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.630 14.224 -20.649 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.356 13.696 -22.155 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.848 11.313 -19.783 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.469 13.096 -21.145 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.140 9.615 -18.567 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.764 11.400 -19.929 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.602 9.657 -18.633 1.00 0.00 H new ATOM 974 N SER A 66 -32.139 14.598 -22.883 1.00 0.00 N ATOM 975 CA SER A 66 -31.670 15.393 -24.012 1.00 0.00 C ATOM 976 C SER A 66 -30.561 14.664 -24.766 1.00 0.00 C ATOM 977 O SER A 66 -30.384 14.854 -25.970 1.00 0.00 O ATOM 978 CB SER A 66 -31.165 16.754 -23.530 1.00 0.00 C ATOM 979 OG SER A 66 -31.138 17.693 -24.592 1.00 0.00 O ATOM 0 H SER A 66 -31.748 14.873 -21.982 1.00 0.00 H new ATOM 0 HA SER A 66 -32.509 15.545 -24.691 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.809 17.122 -22.731 1.00 0.00 H new ATOM 0 HB3 SER A 66 -30.165 16.646 -23.110 1.00 0.00 H new ATOM 0 HG SER A 66 -30.813 18.555 -24.258 1.00 0.00 H new ATOM 985 N LEU A 67 -29.816 13.830 -24.048 1.00 0.00 N ATOM 986 CA LEU A 67 -28.723 13.072 -24.648 1.00 0.00 C ATOM 987 C LEU A 67 -29.252 12.071 -25.670 1.00 0.00 C ATOM 988 O LEU A 67 -30.326 11.498 -25.494 1.00 0.00 O ATOM 989 CB LEU A 67 -27.930 12.340 -23.564 1.00 0.00 C ATOM 990 CG LEU A 67 -27.311 13.219 -22.476 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.683 12.360 -21.390 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.279 14.162 -23.076 1.00 0.00 C ATOM 0 H LEU A 67 -29.949 13.662 -23.051 1.00 0.00 H new ATOM 0 HA LEU A 67 -28.065 13.773 -25.161 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.590 11.616 -23.086 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -27.131 11.775 -24.045 1.00 0.00 H new ATOM 0 HG LEU A 67 -28.102 13.818 -22.025 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.248 13.002 -20.624 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.447 11.726 -20.940 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.903 11.735 -21.826 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.849 14.780 -22.288 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.490 13.581 -23.553 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.758 14.801 -23.817 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.488 11.865 -26.738 1.00 0.00 N ATOM 1005 CA ASN A 68 -28.879 10.932 -27.789 1.00 0.00 C ATOM 1006 C ASN A 68 -27.962 9.712 -27.802 1.00 0.00 C ATOM 1007 O ASN A 68 -27.042 9.605 -26.991 1.00 0.00 O ATOM 1008 CB ASN A 68 -28.844 11.624 -29.153 1.00 0.00 C ATOM 1009 CG ASN A 68 -27.740 12.659 -29.249 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.821 13.727 -28.644 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -26.700 12.344 -30.013 1.00 0.00 N ATOM 0 H ASN A 68 -27.595 12.331 -26.899 1.00 0.00 H new ATOM 0 HA ASN A 68 -29.896 10.598 -27.584 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -28.705 10.876 -29.933 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.805 12.104 -29.339 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -25.926 13.000 -30.116 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -26.676 11.446 -30.496 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.219 8.795 -28.728 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.418 7.584 -28.849 1.00 0.00 C ATOM 1020 C LYS A 69 -25.941 7.924 -29.024 1.00 0.00 C ATOM 1021 O LYS A 69 -25.066 7.125 -28.686 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.902 6.744 -30.033 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.430 5.301 -29.988 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.712 4.581 -31.297 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.399 3.096 -31.194 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.919 2.337 -32.365 1.00 0.00 N ATOM 0 H LYS A 69 -28.977 8.868 -29.406 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.534 7.008 -27.931 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -28.992 6.760 -30.058 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.555 7.202 -30.959 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.360 5.273 -29.780 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.928 4.780 -29.170 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.759 4.715 -31.569 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.116 5.025 -32.094 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.320 2.956 -31.121 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.835 2.696 -30.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.685 1.329 -32.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -28.951 2.449 -32.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.484 2.702 -33.236 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.670 9.112 -29.551 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.299 9.559 -29.768 1.00 0.00 C ATOM 1042 C ASP A 70 -23.698 10.112 -28.479 1.00 0.00 C ATOM 1043 O ASP A 70 -22.687 9.609 -27.989 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.254 10.624 -30.864 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.163 10.360 -31.883 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.265 9.352 -32.614 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.207 11.160 -31.950 1.00 0.00 O ATOM 0 H ASP A 70 -26.382 9.784 -29.836 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.708 8.699 -30.084 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.219 10.661 -31.370 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.094 11.602 -30.410 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.326 11.150 -27.937 1.00 0.00 N ATOM 1053 CA GLU A 71 -23.851 11.773 -26.707 1.00 0.00 C ATOM 1054 C GLU A 71 -23.650 10.729 -25.612 1.00 0.00 C ATOM 1055 O GLU A 71 -22.650 10.751 -24.893 1.00 0.00 O ATOM 1056 CB GLU A 71 -24.840 12.839 -26.233 1.00 0.00 C ATOM 1057 CG GLU A 71 -24.952 14.027 -27.175 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.282 15.271 -26.627 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.091 15.191 -26.261 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -24.948 16.326 -26.564 1.00 0.00 O ATOM 0 H GLU A 71 -25.165 11.577 -28.330 1.00 0.00 H new ATOM 0 HA GLU A 71 -22.892 12.246 -26.917 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.824 12.384 -26.117 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.535 13.194 -25.249 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.502 13.769 -28.134 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.005 14.239 -27.363 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.606 9.815 -25.491 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.536 8.762 -24.483 1.00 0.00 C ATOM 1069 C LEU A 72 -23.427 7.767 -24.813 1.00 0.00 C ATOM 1070 O LEU A 72 -22.774 7.232 -23.917 1.00 0.00 O ATOM 1071 CB LEU A 72 -25.877 8.034 -24.383 1.00 0.00 C ATOM 1072 CG LEU A 72 -26.945 8.710 -23.523 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.305 8.630 -24.199 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -26.997 8.076 -22.140 1.00 0.00 C ATOM 0 H LEU A 72 -25.439 9.781 -26.078 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.310 9.226 -23.523 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.276 7.909 -25.390 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.697 7.035 -23.985 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.680 9.761 -23.409 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.052 9.116 -23.572 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.261 9.131 -25.166 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.578 7.585 -24.344 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.763 8.570 -21.542 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.237 7.017 -22.234 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.028 8.187 -21.652 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.221 7.526 -26.103 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.191 6.596 -26.551 1.00 0.00 C ATOM 1088 C ARG A 73 -20.798 7.167 -26.303 1.00 0.00 C ATOM 1089 O ARG A 73 -19.821 6.425 -26.191 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.368 6.282 -28.037 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.227 5.470 -28.629 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.717 4.542 -29.730 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.663 3.647 -30.200 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.741 2.948 -31.326 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -21.819 3.039 -32.094 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.740 2.155 -31.688 1.00 0.00 N ATOM 0 H ARG A 73 -23.753 7.961 -26.856 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.295 5.675 -25.978 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.301 5.736 -28.175 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.461 7.217 -28.589 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.469 6.143 -29.030 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.750 4.884 -27.843 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.556 3.952 -29.360 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.088 5.135 -30.566 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.821 3.554 -29.632 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.591 3.647 -31.820 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.876 2.501 -32.959 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.909 2.082 -31.101 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.802 1.619 -32.553 1.00 0.00 H new ATOM 1110 N THR A 74 -20.713 8.491 -26.218 1.00 0.00 N ATOM 1111 CA THR A 74 -19.440 9.162 -25.985 1.00 0.00 C ATOM 1112 C THR A 74 -19.073 9.147 -24.506 1.00 0.00 C ATOM 1113 O THR A 74 -17.945 8.817 -24.139 1.00 0.00 O ATOM 1114 CB THR A 74 -19.476 10.621 -26.479 1.00 0.00 C ATOM 1115 OG1 THR A 74 -20.827 11.017 -26.738 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.642 10.786 -27.740 1.00 0.00 C ATOM 0 H THR A 74 -21.511 9.120 -26.307 1.00 0.00 H new ATOM 0 HA THR A 74 -18.685 8.613 -26.549 1.00 0.00 H new ATOM 0 HB THR A 74 -19.055 11.256 -25.699 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.310 11.108 -25.890 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.683 11.824 -28.070 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.608 10.512 -27.531 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.037 10.140 -28.524 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.033 9.505 -23.659 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.811 9.531 -22.218 1.00 0.00 C ATOM 1126 C VAL A 75 -19.532 8.131 -21.681 1.00 0.00 C ATOM 1127 O VAL A 75 -18.718 7.955 -20.773 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.022 10.123 -21.474 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.282 9.330 -21.788 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.762 10.155 -19.975 1.00 0.00 C ATOM 0 H VAL A 75 -20.972 9.781 -23.946 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.942 10.165 -22.042 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.172 11.147 -21.816 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.127 9.763 -21.253 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.475 9.363 -22.860 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.147 8.294 -21.476 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.628 10.576 -19.464 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.586 9.142 -19.615 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.886 10.770 -19.771 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.211 7.140 -22.246 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.037 5.755 -21.824 1.00 0.00 C ATOM 1142 C CYS A 76 -20.162 4.805 -23.010 1.00 0.00 C ATOM 1143 O CYS A 76 -20.811 5.106 -24.012 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.068 5.393 -20.754 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.784 5.613 -21.278 1.00 0.00 S ATOM 0 H CYS A 76 -20.888 7.270 -22.998 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.036 5.652 -21.404 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.920 4.354 -20.459 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.888 6.004 -19.870 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.813 6.237 -22.418 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.526 3.630 -22.897 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.550 2.611 -23.951 1.00 0.00 C ATOM 1153 C PRO A 77 -20.923 1.965 -24.101 1.00 0.00 C ATOM 1154 O PRO A 77 -21.251 1.421 -25.155 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.523 1.581 -23.474 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.484 1.745 -21.993 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.734 3.204 -21.731 1.00 0.00 C ATOM 0 HA PRO A 77 -19.326 3.033 -24.931 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.818 0.569 -23.753 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.544 1.762 -23.919 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.242 1.127 -21.512 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.519 1.436 -21.592 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.277 3.357 -20.799 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.802 3.764 -21.652 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.721 2.029 -23.040 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.059 1.449 -23.056 1.00 0.00 C ATOM 1167 C GLU A 78 -24.105 2.502 -23.407 1.00 0.00 C ATOM 1168 O GLU A 78 -25.279 2.365 -23.066 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.384 0.825 -21.697 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.422 -0.277 -21.287 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.368 -1.409 -22.295 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -23.442 -1.935 -22.653 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -21.252 -1.768 -22.725 1.00 0.00 O ATOM 0 H GLU A 78 -21.465 2.476 -22.160 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.081 0.672 -23.820 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.374 1.606 -20.937 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.396 0.420 -21.725 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.424 0.144 -21.165 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.722 -0.673 -20.317 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.669 3.556 -24.092 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.579 4.618 -24.477 1.00 0.00 C ATOM 1182 C GLY A 79 -25.734 4.115 -25.321 1.00 0.00 C ATOM 1183 O GLY A 79 -26.898 4.304 -24.968 1.00 0.00 O ATOM 0 H GLY A 79 -22.702 3.692 -24.387 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.971 5.099 -23.581 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.031 5.378 -25.033 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.412 3.473 -26.439 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.432 2.940 -27.334 1.00 0.00 C ATOM 1189 C ALA A 80 -27.432 2.075 -26.575 1.00 0.00 C ATOM 1190 O ALA A 80 -28.599 1.982 -26.954 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.784 2.141 -28.455 1.00 0.00 C ATOM 0 H ALA A 80 -24.453 3.309 -26.747 1.00 0.00 H new ATOM 0 HA ALA A 80 -26.975 3.780 -27.767 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.557 1.749 -29.116 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.115 2.787 -29.023 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.215 1.314 -28.030 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.966 1.444 -25.502 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.820 0.585 -24.691 1.00 0.00 C ATOM 1199 C ARG A 81 -28.658 1.411 -23.720 1.00 0.00 C ATOM 1200 O ARG A 81 -29.793 1.054 -23.402 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.973 -0.427 -23.917 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.186 -1.372 -24.810 1.00 0.00 C ATOM 1203 CD ARG A 81 -27.021 -2.574 -25.223 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.561 -3.152 -26.483 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.995 -4.314 -26.959 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -27.893 -5.017 -26.285 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -26.529 -4.774 -28.114 1.00 0.00 N ATOM 0 H ARG A 81 -26.002 1.512 -25.174 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.494 0.049 -25.360 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.279 0.111 -23.271 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.624 -1.012 -23.268 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.850 -0.839 -25.699 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.293 -1.711 -24.285 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.979 -3.331 -24.440 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -28.064 -2.274 -25.321 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.869 -2.636 -27.027 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.254 -4.667 -25.398 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.224 -5.909 -26.654 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -25.838 -4.235 -28.636 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.862 -5.666 -28.479 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.091 2.518 -23.251 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.785 3.396 -22.317 1.00 0.00 C ATOM 1223 C VAL A 82 -29.876 4.196 -23.021 1.00 0.00 C ATOM 1224 O VAL A 82 -31.017 4.245 -22.563 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.809 4.372 -21.632 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.558 5.308 -20.696 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.729 3.607 -20.883 1.00 0.00 C ATOM 0 H VAL A 82 -27.152 2.828 -23.503 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.239 2.756 -21.560 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.327 4.976 -22.401 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.852 5.990 -20.222 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.290 5.882 -21.264 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.069 4.724 -19.930 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.049 4.312 -20.405 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.190 2.976 -20.123 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.173 2.984 -21.583 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.516 4.820 -24.137 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.464 5.620 -24.904 1.00 0.00 C ATOM 1239 C TYR A 83 -31.707 4.806 -25.252 1.00 0.00 C ATOM 1240 O TYR A 83 -32.830 5.303 -25.171 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.806 6.140 -26.183 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.757 6.882 -27.095 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.166 8.177 -26.798 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.246 6.290 -28.253 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.036 8.858 -27.628 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.114 6.965 -29.089 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.507 8.248 -28.772 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.372 8.925 -29.601 1.00 0.00 O ATOM 0 H TYR A 83 -28.576 4.787 -24.531 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.767 6.467 -24.289 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.983 6.802 -25.915 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.375 5.300 -26.727 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.798 8.659 -25.904 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.942 5.284 -28.504 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.346 9.863 -27.382 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.483 6.490 -29.986 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.608 8.356 -30.363 1.00 0.00 H new ATOM 1258 N SER A 84 -31.496 3.553 -25.640 1.00 0.00 N ATOM 1259 CA SER A 84 -32.598 2.669 -26.003 1.00 0.00 C ATOM 1260 C SER A 84 -33.547 2.472 -24.826 1.00 0.00 C ATOM 1261 O SER A 84 -34.720 2.147 -25.009 1.00 0.00 O ATOM 1262 CB SER A 84 -32.060 1.316 -26.472 1.00 0.00 C ATOM 1263 OG SER A 84 -33.021 0.630 -27.256 1.00 0.00 O ATOM 0 H SER A 84 -30.572 3.126 -25.711 1.00 0.00 H new ATOM 0 HA SER A 84 -33.152 3.134 -26.819 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.150 1.465 -27.054 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.790 0.709 -25.608 1.00 0.00 H new ATOM 0 HG SER A 84 -32.653 -0.231 -27.545 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.031 2.672 -23.617 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.832 2.515 -22.409 1.00 0.00 C ATOM 1271 C GLN A 85 -34.511 3.828 -22.032 1.00 0.00 C ATOM 1272 O GLN A 85 -35.519 3.836 -21.325 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.959 2.028 -21.252 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.818 0.516 -21.191 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.156 -0.193 -21.132 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.758 -0.322 -20.066 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.631 -0.659 -22.282 1.00 0.00 N ATOM 0 H GLN A 85 -32.062 2.943 -23.449 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.604 1.772 -22.609 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -31.968 2.474 -21.343 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.383 2.383 -20.313 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.267 0.171 -22.066 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.229 0.245 -20.315 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.099 -0.530 -23.143 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.527 -1.145 -22.304 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.952 4.935 -22.508 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.504 6.253 -22.221 1.00 0.00 C ATOM 1288 C ILE A 86 -35.566 6.639 -23.245 1.00 0.00 C ATOM 1289 O ILE A 86 -36.507 7.371 -22.935 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.405 7.333 -22.207 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.331 6.985 -21.174 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.008 8.698 -21.913 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.020 7.703 -21.400 1.00 0.00 C ATOM 0 H ILE A 86 -33.117 4.946 -23.094 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.959 6.196 -21.232 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.938 7.368 -23.191 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.703 7.229 -20.179 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.155 5.909 -21.193 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.219 9.450 -21.906 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.740 8.946 -22.682 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.498 8.677 -20.939 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.306 7.408 -20.631 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.625 7.440 -22.381 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.182 8.780 -21.351 1.00 0.00 H new ATOM 1305 N THR A 87 -35.412 6.140 -24.467 1.00 0.00 N ATOM 1306 CA THR A 87 -36.358 6.431 -25.537 1.00 0.00 C ATOM 1307 C THR A 87 -37.774 6.028 -25.143 1.00 0.00 C ATOM 1308 O THR A 87 -38.747 6.663 -25.550 1.00 0.00 O ATOM 1309 CB THR A 87 -35.973 5.706 -26.840 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.878 6.069 -27.889 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.993 4.197 -26.646 1.00 0.00 C ATOM 0 H THR A 87 -34.640 5.532 -24.741 1.00 0.00 H new ATOM 0 HA THR A 87 -36.323 7.507 -25.706 1.00 0.00 H new ATOM 0 HB THR A 87 -34.962 6.008 -27.112 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.625 5.605 -28.714 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.718 3.706 -27.580 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.282 3.921 -25.868 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.994 3.881 -26.352 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.883 4.967 -24.349 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.181 4.480 -23.898 1.00 0.00 C ATOM 1321 C VAL A 88 -39.760 5.381 -22.813 1.00 0.00 C ATOM 1322 O VAL A 88 -40.973 5.424 -22.611 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.084 3.041 -23.357 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.165 2.987 -22.146 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.466 2.507 -23.013 1.00 0.00 C ATOM 0 H VAL A 88 -37.088 4.429 -24.005 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.841 4.491 -24.765 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.658 2.407 -24.134 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.109 1.963 -21.777 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.169 3.326 -22.430 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.558 3.634 -21.362 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.378 1.489 -22.632 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.922 3.141 -22.253 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.089 2.508 -23.907 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.884 6.100 -22.119 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.309 7.001 -21.054 1.00 0.00 C ATOM 1337 C GLN A 89 -39.901 8.283 -21.629 1.00 0.00 C ATOM 1338 O GLN A 89 -40.948 8.751 -21.183 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.130 7.335 -20.139 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.430 6.108 -19.576 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.402 5.077 -19.038 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.298 3.889 -19.345 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.356 5.526 -18.230 1.00 0.00 N ATOM 0 H GLN A 89 -37.876 6.076 -22.275 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.080 6.496 -20.472 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.407 7.932 -20.695 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.485 7.951 -19.313 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.819 5.653 -20.356 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.753 6.415 -18.779 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.405 6.519 -18.002 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.039 4.878 -17.838 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.223 8.848 -22.623 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.681 10.076 -23.261 1.00 0.00 C ATOM 1354 C LYS A 90 -40.970 9.837 -24.039 1.00 0.00 C ATOM 1355 O LYS A 90 -41.888 10.656 -24.006 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.601 10.622 -24.198 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.338 11.064 -23.479 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.098 10.803 -24.318 1.00 0.00 C ATOM 1359 CE LYS A 90 -36.033 11.732 -25.520 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.822 11.208 -26.669 1.00 0.00 N ATOM 0 H LYS A 90 -38.354 8.474 -23.004 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.880 10.809 -22.479 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.344 9.855 -24.928 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -39.007 11.467 -24.754 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.404 12.127 -23.246 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.254 10.534 -22.530 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.207 10.937 -23.704 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.098 9.767 -24.657 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.409 12.716 -25.239 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.994 11.863 -25.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.410 11.554 -27.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.801 10.168 -26.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.806 11.536 -26.593 1.00 0.00 H new