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= -1.13 K(o=0.61,f=-2.7!) USER MOD Set 1.2: A 52 THR OG1 : rot 80:sc= 1.16 USER MOD Set 1.3: A 76 CYS SG : rot -29:sc= 0.574 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= 0.908 USER MOD Single : A 29 ASN : amide:sc= -1.7 K(o=-1.7,f=-1.1) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0738 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= -0.0474 K(o=-0.047,f=-0.59) 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= -2.4! C(o=-2.4!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.0785 X(o=-0.078,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.63 K(o=-1.6,f=-8.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 72:sc= 0.623 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= -1.7 K(o=-1.7,f=-0.48) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.3!) USER MOD Single : A 90 LYS NZ :NH3+ -136:sc= -0.196 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.452 1.244 -11.361 1.00 0.00 N ATOM 391 CA ILE A 28 -37.878 2.583 -11.398 1.00 0.00 C ATOM 392 C ILE A 28 -38.146 3.260 -12.738 1.00 0.00 C ATOM 393 O ILE A 28 -38.143 2.611 -13.783 1.00 0.00 O ATOM 394 CB ILE A 28 -36.359 2.552 -11.146 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.042 1.706 -9.911 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.821 3.966 -10.978 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.629 2.259 -8.632 1.00 0.00 C ATOM 0 HA ILE A 28 -38.358 3.154 -10.603 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.872 2.098 -12.009 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.419 0.695 -10.067 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.960 1.629 -9.801 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.746 3.928 -10.801 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -36.019 4.541 -11.883 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.312 4.444 -10.130 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.364 1.608 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.233 3.258 -8.452 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.714 2.310 -8.722 1.00 0.00 H new ATOM 409 N ASN A 29 -38.377 4.568 -12.699 1.00 0.00 N ATOM 410 CA ASN A 29 -38.645 5.333 -13.911 1.00 0.00 C ATOM 411 C ASN A 29 -38.150 6.769 -13.768 1.00 0.00 C ATOM 412 O ASN A 29 -38.024 7.286 -12.657 1.00 0.00 O ATOM 413 CB ASN A 29 -40.143 5.327 -14.221 1.00 0.00 C ATOM 414 CG ASN A 29 -40.729 3.929 -14.216 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.865 3.297 -15.264 1.00 0.00 O ATOM 416 ND2 ASN A 29 -41.079 3.438 -13.033 1.00 0.00 N ATOM 0 H ASN A 29 -38.384 5.120 -11.841 1.00 0.00 H new ATOM 0 HA ASN A 29 -38.108 4.862 -14.735 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.666 5.940 -13.486 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.311 5.785 -15.196 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.478 2.502 -12.967 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -40.948 3.997 -12.190 1.00 0.00 H new ATOM 423 N ILE A 30 -37.872 7.408 -14.899 1.00 0.00 N ATOM 424 CA ILE A 30 -37.392 8.785 -14.901 1.00 0.00 C ATOM 425 C ILE A 30 -38.183 9.642 -15.883 1.00 0.00 C ATOM 426 O ILE A 30 -38.715 9.140 -16.874 1.00 0.00 O ATOM 427 CB ILE A 30 -35.896 8.859 -15.260 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.594 7.968 -16.466 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.044 8.453 -14.067 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.137 7.975 -16.873 1.00 0.00 C ATOM 0 H ILE A 30 -37.971 6.994 -15.826 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.534 9.170 -13.891 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.651 9.888 -15.522 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.894 6.946 -16.236 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.200 8.296 -17.310 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.989 8.510 -14.337 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.242 9.126 -13.233 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.289 7.432 -13.776 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.997 7.322 -17.734 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.837 8.990 -17.135 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.526 7.619 -16.044 1.00 0.00 H new ATOM 442 N THR A 31 -38.256 10.939 -15.603 1.00 0.00 N ATOM 443 CA THR A 31 -38.981 11.867 -16.462 1.00 0.00 C ATOM 444 C THR A 31 -38.156 13.119 -16.738 1.00 0.00 C ATOM 445 O THR A 31 -37.050 13.272 -16.221 1.00 0.00 O ATOM 446 CB THR A 31 -40.326 12.279 -15.835 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.188 12.398 -14.414 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.409 11.263 -16.161 1.00 0.00 C ATOM 0 H THR A 31 -37.822 11.371 -14.787 1.00 0.00 H new ATOM 0 HA THR A 31 -39.171 11.347 -17.401 1.00 0.00 H new ATOM 0 HB THR A 31 -40.617 13.243 -16.253 1.00 0.00 H new ATOM 0 HG1 THR A 31 -41.047 12.662 -14.023 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.350 11.576 -15.707 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.532 11.196 -17.242 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.123 10.288 -15.768 1.00 0.00 H new ATOM 456 N TYR A 32 -38.703 14.013 -17.555 1.00 0.00 N ATOM 457 CA TYR A 32 -38.016 15.252 -17.901 1.00 0.00 C ATOM 458 C TYR A 32 -37.827 16.132 -16.669 1.00 0.00 C ATOM 459 O TYR A 32 -37.002 17.046 -16.666 1.00 0.00 O ATOM 460 CB TYR A 32 -38.802 16.014 -18.969 1.00 0.00 C ATOM 461 CG TYR A 32 -38.303 15.772 -20.376 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.017 16.142 -20.751 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.117 15.173 -21.329 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.557 15.923 -22.035 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.664 14.950 -22.616 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.384 15.327 -22.963 1.00 0.00 C ATOM 467 OH TYR A 32 -36.929 15.106 -24.243 1.00 0.00 O ATOM 0 H TYR A 32 -39.619 13.903 -17.990 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.033 14.995 -18.296 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.852 15.726 -18.910 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.752 17.081 -18.753 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.366 16.609 -20.026 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.120 14.877 -21.060 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.555 16.217 -22.310 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.309 14.483 -23.345 1.00 0.00 H new ATOM 0 HH TYR A 32 -37.634 14.677 -24.771 1.00 0.00 H new ATOM 477 N ASP A 33 -38.596 15.849 -15.624 1.00 0.00 N ATOM 478 CA ASP A 33 -38.514 16.612 -14.384 1.00 0.00 C ATOM 479 C ASP A 33 -38.034 15.731 -13.234 1.00 0.00 C ATOM 480 O ASP A 33 -38.527 15.836 -12.111 1.00 0.00 O ATOM 481 CB ASP A 33 -39.875 17.221 -14.043 1.00 0.00 C ATOM 482 CG ASP A 33 -40.259 18.344 -14.985 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.433 18.700 -15.851 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.385 18.869 -14.856 1.00 0.00 O ATOM 0 H ASP A 33 -39.284 15.096 -15.611 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.792 17.415 -14.528 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.637 16.443 -14.080 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.855 17.599 -13.021 1.00 0.00 H new ATOM 489 N SER A 34 -37.071 14.862 -13.524 1.00 0.00 N ATOM 490 CA SER A 34 -36.528 13.959 -12.516 1.00 0.00 C ATOM 491 C SER A 34 -35.237 14.518 -11.924 1.00 0.00 C ATOM 492 O SER A 34 -34.672 15.484 -12.437 1.00 0.00 O ATOM 493 CB SER A 34 -36.268 12.579 -13.123 1.00 0.00 C ATOM 494 OG SER A 34 -37.423 11.761 -13.044 1.00 0.00 O ATOM 0 H SER A 34 -36.651 14.764 -14.448 1.00 0.00 H new ATOM 0 HA SER A 34 -37.263 13.864 -11.716 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.966 12.688 -14.165 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.441 12.098 -12.600 1.00 0.00 H new ATOM 0 HG SER A 34 -37.220 10.959 -12.519 1.00 0.00 H new ATOM 500 N THR A 35 -34.776 13.903 -10.840 1.00 0.00 N ATOM 501 CA THR A 35 -33.553 14.338 -10.176 1.00 0.00 C ATOM 502 C THR A 35 -32.356 13.515 -10.635 1.00 0.00 C ATOM 503 O THR A 35 -32.490 12.378 -11.090 1.00 0.00 O ATOM 504 CB THR A 35 -33.677 14.232 -8.644 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.277 12.928 -8.209 1.00 0.00 O ATOM 506 CG2 THR A 35 -35.105 14.506 -8.197 1.00 0.00 C ATOM 0 H THR A 35 -35.231 13.102 -10.403 1.00 0.00 H new ATOM 0 HA THR A 35 -33.399 15.382 -10.449 1.00 0.00 H new ATOM 0 HB THR A 35 -33.023 14.980 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.357 12.869 -7.234 1.00 0.00 H new ATOM 0 HG21 THR A 35 -35.168 14.426 -7.112 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.396 15.511 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.775 13.778 -8.654 1.00 0.00 H new ATOM 514 N PRO A 36 -31.154 14.098 -10.515 1.00 0.00 N ATOM 515 CA PRO A 36 -29.908 13.435 -10.912 1.00 0.00 C ATOM 516 C PRO A 36 -29.548 12.278 -9.987 1.00 0.00 C ATOM 517 O PRO A 36 -28.616 11.522 -10.259 1.00 0.00 O ATOM 518 CB PRO A 36 -28.864 14.550 -10.807 1.00 0.00 C ATOM 519 CG PRO A 36 -29.426 15.502 -9.809 1.00 0.00 C ATOM 520 CD PRO A 36 -30.919 15.451 -9.982 1.00 0.00 C ATOM 0 HA PRO A 36 -29.980 12.992 -11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.899 14.160 -10.482 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.704 15.035 -11.770 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.141 15.219 -8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.048 16.511 -9.976 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.439 15.606 -9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.271 16.220 -10.669 1.00 0.00 H new ATOM 528 N GLU A 37 -30.292 12.147 -8.893 1.00 0.00 N ATOM 529 CA GLU A 37 -30.048 11.081 -7.928 1.00 0.00 C ATOM 530 C GLU A 37 -30.917 9.864 -8.231 1.00 0.00 C ATOM 531 O GLU A 37 -30.571 8.737 -7.877 1.00 0.00 O ATOM 532 CB GLU A 37 -30.324 11.576 -6.507 1.00 0.00 C ATOM 533 CG GLU A 37 -29.079 12.044 -5.773 1.00 0.00 C ATOM 534 CD GLU A 37 -29.159 11.807 -4.277 1.00 0.00 C ATOM 535 OE1 GLU A 37 -29.776 12.637 -3.578 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.606 10.791 -3.806 1.00 0.00 O ATOM 0 H GLU A 37 -31.067 12.765 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 37 -29.001 10.788 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -31.040 12.397 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -30.792 10.774 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -28.209 11.524 -6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.929 13.107 -5.961 1.00 0.00 H new ATOM 543 N ASP A 38 -32.047 10.100 -8.889 1.00 0.00 N ATOM 544 CA ASP A 38 -32.966 9.024 -9.241 1.00 0.00 C ATOM 545 C ASP A 38 -32.449 8.239 -10.443 1.00 0.00 C ATOM 546 O ASP A 38 -32.593 7.019 -10.510 1.00 0.00 O ATOM 547 CB ASP A 38 -34.355 9.589 -9.544 1.00 0.00 C ATOM 548 CG ASP A 38 -35.289 9.496 -8.353 1.00 0.00 C ATOM 549 OD1 ASP A 38 -35.431 8.387 -7.795 1.00 0.00 O ATOM 550 OD2 ASP A 38 -35.877 10.532 -7.980 1.00 0.00 O ATOM 0 H ASP A 38 -32.348 11.027 -9.189 1.00 0.00 H new ATOM 0 HA ASP A 38 -33.036 8.346 -8.390 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.262 10.631 -9.849 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.789 9.049 -10.385 1.00 0.00 H new ATOM 555 N VAL A 39 -31.847 8.949 -11.392 1.00 0.00 N ATOM 556 CA VAL A 39 -31.309 8.320 -12.593 1.00 0.00 C ATOM 557 C VAL A 39 -30.273 7.260 -12.240 1.00 0.00 C ATOM 558 O VAL A 39 -30.189 6.217 -12.889 1.00 0.00 O ATOM 559 CB VAL A 39 -30.666 9.359 -13.531 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.123 8.685 -14.782 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.670 10.444 -13.892 1.00 0.00 C ATOM 0 H VAL A 39 -31.720 9.960 -11.353 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.147 7.848 -13.106 1.00 0.00 H new ATOM 0 HB VAL A 39 -29.832 9.828 -13.009 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.673 9.435 -15.433 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.370 7.949 -14.501 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -30.937 8.188 -15.310 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.199 11.170 -14.555 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.526 9.995 -14.395 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.005 10.946 -12.984 1.00 0.00 H new ATOM 571 N LYS A 40 -29.484 7.532 -11.206 1.00 0.00 N ATOM 572 CA LYS A 40 -28.453 6.602 -10.763 1.00 0.00 C ATOM 573 C LYS A 40 -29.042 5.219 -10.504 1.00 0.00 C ATOM 574 O LYS A 40 -28.506 4.208 -10.960 1.00 0.00 O ATOM 575 CB LYS A 40 -27.775 7.124 -9.494 1.00 0.00 C ATOM 576 CG LYS A 40 -26.277 6.876 -9.458 1.00 0.00 C ATOM 577 CD LYS A 40 -25.632 7.535 -8.250 1.00 0.00 C ATOM 578 CE LYS A 40 -24.585 8.557 -8.665 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.451 8.612 -7.702 1.00 0.00 N ATOM 0 H LYS A 40 -29.539 8.391 -10.658 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.710 6.519 -11.556 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.960 8.195 -9.408 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -28.234 6.651 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -26.085 5.803 -9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.821 7.261 -10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -26.399 8.022 -7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.170 6.773 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.207 8.308 -9.657 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.047 9.541 -8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.759 9.320 -8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.807 8.875 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.993 7.680 -7.651 1.00 0.00 H new ATOM 593 N THR A 41 -30.150 5.181 -9.771 1.00 0.00 N ATOM 594 CA THR A 41 -30.813 3.922 -9.452 1.00 0.00 C ATOM 595 C THR A 41 -31.521 3.349 -10.674 1.00 0.00 C ATOM 596 O THR A 41 -31.539 2.135 -10.879 1.00 0.00 O ATOM 597 CB THR A 41 -31.837 4.099 -8.315 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.179 4.564 -7.131 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.552 2.789 -8.022 1.00 0.00 C ATOM 0 H THR A 41 -30.608 6.008 -9.387 1.00 0.00 H new ATOM 0 HA THR A 41 -30.037 3.229 -9.127 1.00 0.00 H new ATOM 0 HB THR A 41 -32.576 4.835 -8.633 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.837 4.676 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.270 2.939 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.076 2.452 -8.917 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.823 2.036 -7.723 1.00 0.00 H new ATOM 607 N TRP A 42 -32.102 4.228 -11.482 1.00 0.00 N ATOM 608 CA TRP A 42 -32.811 3.808 -12.685 1.00 0.00 C ATOM 609 C TRP A 42 -31.893 3.016 -13.609 1.00 0.00 C ATOM 610 O TRP A 42 -32.335 2.100 -14.304 1.00 0.00 O ATOM 611 CB TRP A 42 -33.371 5.025 -13.423 1.00 0.00 C ATOM 612 CG TRP A 42 -34.147 4.667 -14.654 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.445 4.247 -14.712 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.672 4.698 -16.005 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.806 4.014 -16.018 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.736 4.284 -16.830 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.453 5.036 -16.597 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.615 4.199 -18.214 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.334 4.951 -17.972 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.410 4.536 -18.768 1.00 0.00 C ATOM 0 H TRP A 42 -32.096 5.236 -11.326 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.637 3.163 -12.384 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.015 5.587 -12.746 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.548 5.684 -13.700 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.093 4.117 -13.858 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.722 3.692 -16.332 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.618 5.358 -15.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.443 3.878 -18.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.396 5.209 -18.440 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.286 4.481 -19.839 1.00 0.00 H new ATOM 631 N LEU A 43 -30.613 3.373 -13.613 1.00 0.00 N ATOM 632 CA LEU A 43 -29.632 2.694 -14.453 1.00 0.00 C ATOM 633 C LEU A 43 -29.231 1.353 -13.847 1.00 0.00 C ATOM 634 O LEU A 43 -29.112 0.353 -14.554 1.00 0.00 O ATOM 635 CB LEU A 43 -28.394 3.574 -14.637 1.00 0.00 C ATOM 636 CG LEU A 43 -28.647 4.984 -15.172 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.736 5.987 -14.481 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.444 5.027 -16.679 1.00 0.00 C ATOM 0 H LEU A 43 -30.230 4.128 -13.044 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.088 2.510 -15.426 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.886 3.657 -13.676 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.710 3.066 -15.317 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.681 5.254 -14.957 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -27.929 6.985 -14.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -27.929 5.975 -13.408 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.695 5.720 -14.665 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.628 6.038 -17.042 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.421 4.737 -16.917 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.138 4.337 -17.159 1.00 0.00 H new ATOM 650 N GLN A 44 -29.027 1.340 -12.533 1.00 0.00 N ATOM 651 CA GLN A 44 -28.642 0.121 -11.833 1.00 0.00 C ATOM 652 C GLN A 44 -29.758 -0.917 -11.891 1.00 0.00 C ATOM 653 O GLN A 44 -29.512 -2.093 -12.160 1.00 0.00 O ATOM 654 CB GLN A 44 -28.295 0.433 -10.376 1.00 0.00 C ATOM 655 CG GLN A 44 -27.013 1.233 -10.213 1.00 0.00 C ATOM 656 CD GLN A 44 -25.810 0.355 -9.931 1.00 0.00 C ATOM 657 OE1 GLN A 44 -25.799 -0.830 -10.265 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.786 0.934 -9.314 1.00 0.00 N ATOM 0 H GLN A 44 -29.122 2.159 -11.933 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.763 -0.290 -12.329 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.119 0.987 -9.926 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.202 -0.503 -9.825 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.832 1.811 -11.119 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.136 1.947 -9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.838 1.919 -9.055 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.948 0.393 -9.099 1.00 0.00 H new ATOM 667 N SER A 45 -30.985 -0.474 -11.638 1.00 0.00 N ATOM 668 CA SER A 45 -32.139 -1.366 -11.658 1.00 0.00 C ATOM 669 C SER A 45 -32.196 -2.151 -12.964 1.00 0.00 C ATOM 670 O SER A 45 -32.322 -3.376 -12.962 1.00 0.00 O ATOM 671 CB SER A 45 -33.430 -0.567 -11.472 1.00 0.00 C ATOM 672 OG SER A 45 -34.531 -1.231 -12.070 1.00 0.00 O ATOM 0 H SER A 45 -31.206 0.497 -11.417 1.00 0.00 H new ATOM 0 HA SER A 45 -32.036 -2.073 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.622 -0.422 -10.409 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.315 0.423 -11.913 1.00 0.00 H new ATOM 0 HG SER A 45 -35.345 -0.701 -11.936 1.00 0.00 H new ATOM 678 N LYS A 46 -32.102 -1.437 -14.081 1.00 0.00 N ATOM 679 CA LYS A 46 -32.142 -2.064 -15.397 1.00 0.00 C ATOM 680 C LYS A 46 -31.006 -3.070 -15.554 1.00 0.00 C ATOM 681 O LYS A 46 -31.118 -4.033 -16.311 1.00 0.00 O ATOM 682 CB LYS A 46 -32.051 -1.001 -16.494 1.00 0.00 C ATOM 683 CG LYS A 46 -33.238 -0.053 -16.522 1.00 0.00 C ATOM 684 CD LYS A 46 -34.537 -0.794 -16.793 1.00 0.00 C ATOM 685 CE LYS A 46 -35.703 0.169 -16.958 1.00 0.00 C ATOM 686 NZ LYS A 46 -37.010 -0.492 -16.692 1.00 0.00 N ATOM 0 H LYS A 46 -31.997 -0.423 -14.101 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.090 -2.594 -15.491 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.138 -0.423 -16.353 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.969 -1.496 -17.462 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.309 0.471 -15.569 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -33.082 0.704 -17.291 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.432 -1.398 -17.694 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.744 -1.480 -15.972 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.577 1.012 -16.278 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.700 0.573 -17.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.779 0.197 -16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.142 -1.280 -17.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -37.023 -0.855 -15.718 1.00 0.00 H new ATOM 700 N GLY A 47 -29.913 -2.840 -14.832 1.00 0.00 N ATOM 701 CA GLY A 47 -28.774 -3.736 -14.905 1.00 0.00 C ATOM 702 C GLY A 47 -27.671 -3.199 -15.795 1.00 0.00 C ATOM 703 O GLY A 47 -27.110 -3.931 -16.611 1.00 0.00 O ATOM 0 H GLY A 47 -29.796 -2.049 -14.198 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.380 -3.900 -13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.101 -4.705 -15.282 1.00 0.00 H new ATOM 707 N PHE A 48 -27.359 -1.917 -15.639 1.00 0.00 N ATOM 708 CA PHE A 48 -26.316 -1.281 -16.437 1.00 0.00 C ATOM 709 C PHE A 48 -25.006 -1.205 -15.658 1.00 0.00 C ATOM 710 O PHE A 48 -25.006 -1.061 -14.437 1.00 0.00 O ATOM 711 CB PHE A 48 -26.754 0.122 -16.861 1.00 0.00 C ATOM 712 CG PHE A 48 -27.703 0.128 -18.025 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.238 -0.063 -19.316 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.060 0.325 -17.828 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.109 -0.057 -20.389 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.936 0.332 -18.897 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.460 0.139 -20.179 1.00 0.00 C ATOM 0 H PHE A 48 -27.813 -1.298 -14.968 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.153 -1.887 -17.328 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.228 0.617 -16.014 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.871 0.707 -17.119 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.183 -0.218 -19.486 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.438 0.475 -16.827 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.734 -0.205 -21.391 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -30.992 0.488 -18.730 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.143 0.141 -21.016 1.00 0.00 H new ATOM 727 N ASN A 49 -23.892 -1.302 -16.376 1.00 0.00 N ATOM 728 CA ASN A 49 -22.574 -1.245 -15.753 1.00 0.00 C ATOM 729 C ASN A 49 -22.432 0.009 -14.896 1.00 0.00 C ATOM 730 O ASN A 49 -23.106 1.017 -15.109 1.00 0.00 O ATOM 731 CB ASN A 49 -21.480 -1.272 -16.823 1.00 0.00 C ATOM 732 CG ASN A 49 -21.425 0.013 -17.627 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.342 0.833 -17.571 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.347 0.194 -18.380 1.00 0.00 N ATOM 0 H ASN A 49 -23.875 -1.420 -17.389 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.465 -2.118 -15.109 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.514 -1.441 -16.347 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.655 -2.111 -17.496 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.254 1.040 -18.943 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.611 -0.512 -18.396 1.00 0.00 H new ATOM 741 N PRO A 50 -21.532 -0.052 -13.903 1.00 0.00 N ATOM 742 CA PRO A 50 -21.278 1.070 -12.994 1.00 0.00 C ATOM 743 C PRO A 50 -20.578 2.232 -13.689 1.00 0.00 C ATOM 744 O PRO A 50 -20.739 3.389 -13.301 1.00 0.00 O ATOM 745 CB PRO A 50 -20.370 0.460 -11.924 1.00 0.00 C ATOM 746 CG PRO A 50 -19.696 -0.681 -12.604 1.00 0.00 C ATOM 747 CD PRO A 50 -20.693 -1.221 -13.592 1.00 0.00 C ATOM 0 HA PRO A 50 -22.202 1.492 -12.598 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.645 1.187 -11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -20.945 0.123 -11.062 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.786 -0.353 -13.107 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.405 -1.447 -11.885 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.203 -1.613 -14.484 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.280 -2.035 -13.167 1.00 0.00 H new ATOM 755 N VAL A 51 -19.799 1.917 -14.720 1.00 0.00 N ATOM 756 CA VAL A 51 -19.075 2.935 -15.470 1.00 0.00 C ATOM 757 C VAL A 51 -20.033 3.940 -16.099 1.00 0.00 C ATOM 758 O VAL A 51 -19.656 5.076 -16.392 1.00 0.00 O ATOM 759 CB VAL A 51 -18.208 2.307 -16.578 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.485 3.386 -17.368 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.219 1.317 -15.982 1.00 0.00 C ATOM 0 H VAL A 51 -19.654 0.964 -15.054 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.427 3.449 -14.760 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.861 1.766 -17.263 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.878 2.922 -18.146 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.216 4.052 -17.827 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.842 3.958 -16.699 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.614 0.883 -16.778 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.570 1.832 -15.274 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.763 0.525 -15.466 1.00 0.00 H new ATOM 771 N THR A 52 -21.276 3.516 -16.304 1.00 0.00 N ATOM 772 CA THR A 52 -22.290 4.378 -16.898 1.00 0.00 C ATOM 773 C THR A 52 -23.079 5.120 -15.826 1.00 0.00 C ATOM 774 O THR A 52 -23.315 6.323 -15.936 1.00 0.00 O ATOM 775 CB THR A 52 -23.268 3.573 -17.774 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.576 3.018 -18.899 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.410 4.453 -18.259 1.00 0.00 C ATOM 0 H THR A 52 -21.605 2.580 -16.067 1.00 0.00 H new ATOM 0 HA THR A 52 -21.764 5.100 -17.522 1.00 0.00 H new ATOM 0 HB THR A 52 -23.683 2.767 -17.169 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.101 2.207 -18.623 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.088 3.863 -18.876 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.953 4.850 -17.401 1.00 0.00 H new ATOM 0 HG23 THR A 52 -24.009 5.278 -18.848 1.00 0.00 H new ATOM 785 N VAL A 53 -23.483 4.396 -14.787 1.00 0.00 N ATOM 786 CA VAL A 53 -24.244 4.986 -13.693 1.00 0.00 C ATOM 787 C VAL A 53 -23.438 6.070 -12.985 1.00 0.00 C ATOM 788 O VAL A 53 -23.999 6.939 -12.319 1.00 0.00 O ATOM 789 CB VAL A 53 -24.666 3.921 -12.664 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.574 4.530 -11.606 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.351 2.753 -13.357 1.00 0.00 C ATOM 0 H VAL A 53 -23.296 3.399 -14.680 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.137 5.430 -14.132 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.771 3.546 -12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.862 3.762 -10.888 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.045 5.330 -11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.467 4.934 -12.082 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.643 2.010 -12.615 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.238 3.110 -13.881 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.664 2.301 -14.073 1.00 0.00 H new ATOM 801 N ASN A 54 -22.119 6.011 -13.135 1.00 0.00 N ATOM 802 CA ASN A 54 -21.235 6.988 -12.510 1.00 0.00 C ATOM 803 C ASN A 54 -21.170 8.270 -13.336 1.00 0.00 C ATOM 804 O ASN A 54 -21.197 9.373 -12.791 1.00 0.00 O ATOM 805 CB ASN A 54 -19.831 6.404 -12.345 1.00 0.00 C ATOM 806 CG ASN A 54 -19.405 6.324 -10.892 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.054 7.333 -10.280 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.434 5.120 -10.332 1.00 0.00 N ATOM 0 H ASN A 54 -21.639 5.298 -13.684 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.639 7.230 -11.527 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.801 5.407 -12.785 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.118 7.017 -12.896 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.158 5.004 -9.357 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.732 4.311 -10.877 1.00 0.00 H new ATOM 815 N SER A 55 -21.087 8.115 -14.653 1.00 0.00 N ATOM 816 CA SER A 55 -21.015 9.260 -15.554 1.00 0.00 C ATOM 817 C SER A 55 -22.395 9.880 -15.754 1.00 0.00 C ATOM 818 O SER A 55 -22.519 11.082 -15.996 1.00 0.00 O ATOM 819 CB SER A 55 -20.433 8.838 -16.904 1.00 0.00 C ATOM 820 OG SER A 55 -19.493 9.789 -17.374 1.00 0.00 O ATOM 0 H SER A 55 -21.068 7.209 -15.120 1.00 0.00 H new ATOM 0 HA SER A 55 -20.361 10.006 -15.102 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.953 7.864 -16.808 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.237 8.727 -17.631 1.00 0.00 H new ATOM 0 HG SER A 55 -19.134 9.495 -18.237 1.00 0.00 H new ATOM 826 N LEU A 56 -23.429 9.053 -15.652 1.00 0.00 N ATOM 827 CA LEU A 56 -24.801 9.519 -15.821 1.00 0.00 C ATOM 828 C LEU A 56 -25.549 9.504 -14.492 1.00 0.00 C ATOM 829 O LEU A 56 -26.778 9.452 -14.460 1.00 0.00 O ATOM 830 CB LEU A 56 -25.534 8.647 -16.841 1.00 0.00 C ATOM 831 CG LEU A 56 -24.814 8.420 -18.171 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.550 7.384 -19.007 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.682 9.728 -18.936 1.00 0.00 C ATOM 0 H LEU A 56 -23.344 8.056 -15.453 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.768 10.545 -16.186 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.728 7.676 -16.386 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.503 9.102 -17.048 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.813 8.043 -17.960 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.023 7.236 -19.950 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.592 6.441 -18.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.563 7.732 -19.209 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -24.167 9.547 -19.880 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.674 10.134 -19.136 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -24.110 10.441 -18.342 1.00 0.00 H new ATOM 845 N GLY A 57 -24.798 9.553 -13.395 1.00 0.00 N ATOM 846 CA GLY A 57 -25.408 9.547 -12.078 1.00 0.00 C ATOM 847 C GLY A 57 -25.441 10.925 -11.448 1.00 0.00 C ATOM 848 O GLY A 57 -25.823 11.076 -10.288 1.00 0.00 O ATOM 0 H GLY A 57 -23.779 9.597 -13.395 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.425 9.161 -12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.856 8.867 -11.429 1.00 0.00 H new ATOM 852 N VAL A 58 -25.037 11.934 -12.213 1.00 0.00 N ATOM 853 CA VAL A 58 -25.021 13.307 -11.723 1.00 0.00 C ATOM 854 C VAL A 58 -25.976 14.187 -12.522 1.00 0.00 C ATOM 855 O VAL A 58 -26.360 15.269 -12.077 1.00 0.00 O ATOM 856 CB VAL A 58 -23.606 13.911 -11.790 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.702 13.271 -10.747 1.00 0.00 C ATOM 858 CG2 VAL A 58 -23.023 13.747 -13.185 1.00 0.00 C ATOM 0 H VAL A 58 -24.716 11.826 -13.175 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.345 13.275 -10.683 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.674 14.977 -11.572 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.706 13.710 -10.809 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.114 13.445 -9.753 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.637 12.198 -10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -22.023 14.179 -13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.968 12.687 -13.434 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.660 14.257 -13.908 1.00 0.00 H new ATOM 868 N LEU A 59 -26.355 13.716 -13.705 1.00 0.00 N ATOM 869 CA LEU A 59 -27.267 14.460 -14.568 1.00 0.00 C ATOM 870 C LEU A 59 -28.718 14.106 -14.261 1.00 0.00 C ATOM 871 O LEU A 59 -29.054 12.940 -14.061 1.00 0.00 O ATOM 872 CB LEU A 59 -26.959 14.170 -16.038 1.00 0.00 C ATOM 873 CG LEU A 59 -25.639 14.727 -16.570 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.482 14.408 -18.049 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.560 16.228 -16.335 1.00 0.00 C ATOM 0 H LEU A 59 -26.045 12.823 -14.089 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.124 15.523 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.959 13.090 -16.182 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.771 14.572 -16.645 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.822 14.251 -16.028 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.536 14.812 -18.410 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.492 13.327 -18.191 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.305 14.855 -18.607 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.613 16.607 -16.720 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.385 16.721 -16.850 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.625 16.433 -15.266 1.00 0.00 H new ATOM 887 N ASN A 60 -29.575 15.122 -14.226 1.00 0.00 N ATOM 888 CA ASN A 60 -30.991 14.918 -13.945 1.00 0.00 C ATOM 889 C ASN A 60 -31.698 14.290 -15.141 1.00 0.00 C ATOM 890 O ASN A 60 -31.167 14.272 -16.251 1.00 0.00 O ATOM 891 CB ASN A 60 -31.657 16.247 -13.584 1.00 0.00 C ATOM 892 CG ASN A 60 -31.417 17.317 -14.631 1.00 0.00 C ATOM 893 OD1 ASN A 60 -32.024 17.301 -15.702 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.527 18.254 -14.326 1.00 0.00 N ATOM 0 H ASN A 60 -29.313 16.094 -14.389 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.073 14.236 -13.098 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.729 16.092 -13.466 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.277 16.592 -12.622 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.323 19.000 -14.991 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -30.047 18.228 -13.426 1.00 0.00 H new ATOM 901 N GLY A 61 -32.902 13.775 -14.908 1.00 0.00 N ATOM 902 CA GLY A 61 -33.663 13.154 -15.976 1.00 0.00 C ATOM 903 C GLY A 61 -33.783 14.044 -17.197 1.00 0.00 C ATOM 904 O GLY A 61 -33.732 13.566 -18.329 1.00 0.00 O ATOM 0 H GLY A 61 -33.364 13.777 -13.998 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.186 12.216 -16.260 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.660 12.907 -15.611 1.00 0.00 H new ATOM 908 N ALA A 62 -33.944 15.343 -16.966 1.00 0.00 N ATOM 909 CA ALA A 62 -34.070 16.302 -18.057 1.00 0.00 C ATOM 910 C ALA A 62 -32.832 16.288 -18.947 1.00 0.00 C ATOM 911 O ALA A 62 -32.930 16.083 -20.157 1.00 0.00 O ATOM 912 CB ALA A 62 -34.310 17.700 -17.505 1.00 0.00 C ATOM 0 H ALA A 62 -33.990 15.755 -16.034 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.926 16.011 -18.666 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.402 18.406 -18.330 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.228 17.707 -16.918 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.472 17.990 -16.871 1.00 0.00 H new ATOM 918 N GLN A 63 -31.670 16.506 -18.341 1.00 0.00 N ATOM 919 CA GLN A 63 -30.414 16.520 -19.080 1.00 0.00 C ATOM 920 C GLN A 63 -30.174 15.181 -19.771 1.00 0.00 C ATOM 921 O GLN A 63 -29.863 15.132 -20.961 1.00 0.00 O ATOM 922 CB GLN A 63 -29.249 16.838 -18.142 1.00 0.00 C ATOM 923 CG GLN A 63 -29.338 18.217 -17.507 1.00 0.00 C ATOM 924 CD GLN A 63 -28.352 19.200 -18.105 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.625 19.884 -17.384 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.321 19.276 -19.430 1.00 0.00 N ATOM 0 H GLN A 63 -31.572 16.675 -17.340 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.479 17.296 -19.843 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.212 16.086 -17.354 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.315 16.763 -18.698 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.350 18.604 -17.628 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.156 18.132 -16.436 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.941 18.690 -19.989 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.677 19.920 -19.889 1.00 0.00 H new ATOM 935 N LEU A 64 -30.321 14.097 -19.017 1.00 0.00 N ATOM 936 CA LEU A 64 -30.121 12.757 -19.556 1.00 0.00 C ATOM 937 C LEU A 64 -31.029 12.512 -20.757 1.00 0.00 C ATOM 938 O LEU A 64 -30.625 11.884 -21.736 1.00 0.00 O ATOM 939 CB LEU A 64 -30.388 11.706 -18.477 1.00 0.00 C ATOM 940 CG LEU A 64 -30.335 10.248 -18.932 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.477 9.423 -17.985 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.739 9.667 -19.026 1.00 0.00 C ATOM 0 H LEU A 64 -30.578 14.120 -18.030 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.085 12.676 -19.885 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.660 11.843 -17.677 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.372 11.896 -18.048 1.00 0.00 H new ATOM 0 HG LEU A 64 -29.882 10.213 -19.923 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.451 8.388 -18.326 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.464 9.825 -17.969 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.900 9.464 -16.981 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.682 8.628 -19.351 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.219 9.715 -18.049 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.323 10.241 -19.746 1.00 0.00 H new ATOM 954 N PHE A 65 -32.257 13.013 -20.676 1.00 0.00 N ATOM 955 CA PHE A 65 -33.222 12.849 -21.756 1.00 0.00 C ATOM 956 C PHE A 65 -32.760 13.579 -23.014 1.00 0.00 C ATOM 957 O PHE A 65 -33.170 13.245 -24.125 1.00 0.00 O ATOM 958 CB PHE A 65 -34.595 13.371 -21.326 1.00 0.00 C ATOM 959 CG PHE A 65 -35.429 12.346 -20.614 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.833 11.363 -19.840 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.811 12.364 -20.718 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.598 10.418 -19.183 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.582 11.422 -20.063 1.00 0.00 C ATOM 964 CZ PHE A 65 -36.974 10.447 -19.295 1.00 0.00 C ATOM 0 H PHE A 65 -32.607 13.536 -19.873 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.299 11.785 -21.981 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.459 14.234 -20.674 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.135 13.719 -22.207 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.757 11.335 -19.749 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.291 13.123 -21.318 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.120 9.658 -18.583 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.658 11.448 -20.151 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.574 9.709 -18.783 1.00 0.00 H new ATOM 974 N SER A 66 -31.902 14.578 -22.830 1.00 0.00 N ATOM 975 CA SER A 66 -31.386 15.358 -23.948 1.00 0.00 C ATOM 976 C SER A 66 -30.336 14.569 -24.723 1.00 0.00 C ATOM 977 O SER A 66 -30.189 14.731 -25.935 1.00 0.00 O ATOM 978 CB SER A 66 -30.785 16.673 -23.446 1.00 0.00 C ATOM 979 OG SER A 66 -30.794 17.659 -24.463 1.00 0.00 O ATOM 0 H SER A 66 -31.550 14.866 -21.917 1.00 0.00 H new ATOM 0 HA SER A 66 -32.217 15.579 -24.618 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.350 17.029 -22.585 1.00 0.00 H new ATOM 0 HB3 SER A 66 -29.763 16.504 -23.108 1.00 0.00 H new ATOM 0 HG SER A 66 -30.406 18.490 -24.117 1.00 0.00 H new ATOM 985 N LEU A 67 -29.606 13.714 -24.015 1.00 0.00 N ATOM 986 CA LEU A 67 -28.568 12.898 -24.634 1.00 0.00 C ATOM 987 C LEU A 67 -29.181 11.793 -25.489 1.00 0.00 C ATOM 988 O LEU A 67 -30.104 11.103 -25.059 1.00 0.00 O ATOM 989 CB LEU A 67 -27.664 12.287 -23.562 1.00 0.00 C ATOM 990 CG LEU A 67 -27.075 13.264 -22.544 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.291 12.515 -21.477 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.190 14.288 -23.238 1.00 0.00 C ATOM 0 H LEU A 67 -29.714 13.568 -23.011 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.971 13.542 -25.279 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.234 11.531 -23.022 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.842 11.772 -24.059 1.00 0.00 H new ATOM 0 HG LEU A 67 -27.896 13.792 -22.059 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -25.879 13.227 -20.761 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -26.953 11.821 -20.959 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.478 11.960 -21.945 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.779 14.975 -22.498 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.375 13.777 -23.750 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.781 14.847 -23.964 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.660 11.630 -26.700 1.00 0.00 N ATOM 1005 CA ASN A 68 -29.155 10.608 -27.615 1.00 0.00 C ATOM 1006 C ASN A 68 -28.169 9.448 -27.719 1.00 0.00 C ATOM 1007 O ASN A 68 -27.202 9.370 -26.961 1.00 0.00 O ATOM 1008 CB ASN A 68 -29.401 11.209 -29.000 1.00 0.00 C ATOM 1009 CG ASN A 68 -28.110 11.496 -29.743 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -27.721 10.752 -30.643 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -27.440 12.579 -29.368 1.00 0.00 N ATOM 0 H ASN A 68 -27.895 12.193 -27.071 1.00 0.00 H new ATOM 0 HA ASN A 68 -30.097 10.227 -27.220 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -30.011 10.523 -29.588 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.971 12.133 -28.896 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -26.565 12.823 -29.831 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.801 13.167 -28.617 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.421 8.548 -28.664 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.556 7.392 -28.870 1.00 0.00 C ATOM 1020 C LYS A 69 -26.099 7.821 -29.007 1.00 0.00 C ATOM 1021 O LYS A 69 -25.188 7.089 -28.619 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.991 6.621 -30.118 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.546 5.168 -30.121 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.769 4.519 -31.476 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.458 3.031 -31.440 1.00 0.00 C ATOM 1026 NZ LYS A 69 -27.968 2.328 -32.650 1.00 0.00 N ATOM 0 H LYS A 69 -29.217 8.597 -29.299 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.645 6.742 -27.999 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -29.077 6.660 -30.199 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.588 7.118 -31.001 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.490 5.110 -29.858 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.095 4.617 -29.358 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.803 4.668 -31.786 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.140 5.005 -32.221 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -26.380 2.887 -31.364 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -27.903 2.589 -30.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -27.736 1.316 -32.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -29.000 2.444 -32.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -27.525 2.733 -33.499 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.886 9.010 -29.559 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.539 9.537 -29.744 1.00 0.00 C ATOM 1042 C ASP A 70 -23.997 10.115 -28.441 1.00 0.00 C ATOM 1043 O ASP A 70 -22.968 9.670 -27.934 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.533 10.611 -30.834 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.541 10.308 -31.940 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.831 9.421 -32.769 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.475 10.958 -31.975 1.00 0.00 O ATOM 0 H ASP A 70 -26.629 9.627 -29.886 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.894 8.714 -30.052 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.533 10.698 -31.260 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.292 11.576 -30.388 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.697 11.110 -27.905 1.00 0.00 N ATOM 1053 CA GLU A 71 -24.285 11.750 -26.661 1.00 0.00 C ATOM 1054 C GLU A 71 -24.030 10.711 -25.573 1.00 0.00 C ATOM 1055 O GLU A 71 -22.992 10.731 -24.910 1.00 0.00 O ATOM 1056 CB GLU A 71 -25.351 12.743 -26.194 1.00 0.00 C ATOM 1057 CG GLU A 71 -25.671 13.819 -27.218 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.995 15.141 -26.905 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -25.597 15.955 -26.174 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -23.866 15.360 -27.391 1.00 0.00 O ATOM 0 H GLU A 71 -25.551 11.490 -28.312 1.00 0.00 H new ATOM 0 HA GLU A 71 -23.356 12.288 -26.850 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.264 12.197 -25.955 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -25.014 13.219 -25.273 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -25.358 13.480 -28.206 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -26.750 13.967 -27.259 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.985 9.805 -25.394 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.866 8.757 -24.386 1.00 0.00 C ATOM 1069 C LEU A 72 -23.691 7.834 -24.696 1.00 0.00 C ATOM 1070 O LEU A 72 -23.047 7.307 -23.789 1.00 0.00 O ATOM 1071 CB LEU A 72 -26.160 7.946 -24.310 1.00 0.00 C ATOM 1072 CG LEU A 72 -27.235 8.484 -23.365 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.621 8.257 -23.948 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -27.117 7.830 -21.995 1.00 0.00 C ATOM 0 H LEU A 72 -25.850 9.775 -25.934 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.686 9.233 -23.422 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.584 7.882 -25.312 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.911 6.930 -24.004 1.00 0.00 H new ATOM 0 HG LEU A 72 -27.084 9.557 -23.248 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.373 8.646 -23.261 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.702 8.772 -24.905 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.783 7.189 -24.096 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.890 8.225 -21.336 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.241 6.752 -22.095 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.135 8.045 -21.573 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.417 7.646 -25.982 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.320 6.787 -26.412 1.00 0.00 C ATOM 1088 C ARG A 73 -20.973 7.451 -26.142 1.00 0.00 C ATOM 1089 O ARG A 73 -19.973 6.776 -25.893 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.450 6.463 -27.901 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.255 5.715 -28.469 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.661 4.807 -29.619 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.622 3.833 -29.941 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.848 2.712 -30.617 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -22.072 2.426 -31.041 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.851 1.875 -30.870 1.00 0.00 N ATOM 0 H ARG A 73 -23.939 8.077 -26.745 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.372 5.861 -25.840 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.349 5.866 -28.057 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.584 7.392 -28.456 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.508 6.430 -28.815 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.789 5.121 -27.683 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.581 4.283 -29.360 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -21.876 5.412 -30.500 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.670 4.024 -29.630 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.841 3.067 -30.848 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.244 1.565 -31.560 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.909 2.091 -30.545 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.027 1.015 -31.389 1.00 0.00 H new ATOM 1110 N THR A 74 -20.952 8.780 -26.192 1.00 0.00 N ATOM 1111 CA THR A 74 -19.729 9.535 -25.954 1.00 0.00 C ATOM 1112 C THR A 74 -19.377 9.561 -24.471 1.00 0.00 C ATOM 1113 O THR A 74 -18.212 9.431 -24.097 1.00 0.00 O ATOM 1114 CB THR A 74 -19.854 10.983 -26.466 1.00 0.00 C ATOM 1115 OG1 THR A 74 -21.227 11.291 -26.733 1.00 0.00 O ATOM 1116 CG2 THR A 74 -19.029 11.185 -27.727 1.00 0.00 C ATOM 0 H THR A 74 -21.769 9.355 -26.395 1.00 0.00 H new ATOM 0 HA THR A 74 -18.935 9.030 -26.504 1.00 0.00 H new ATOM 0 HB THR A 74 -19.475 11.652 -25.693 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.713 11.381 -25.887 1.00 0.00 H new ATOM 0 HG21 THR A 74 -19.133 12.215 -28.069 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.980 10.978 -27.513 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.381 10.507 -28.504 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.393 9.728 -23.630 1.00 0.00 N ATOM 1125 CA VAL A 75 -20.191 9.769 -22.187 1.00 0.00 C ATOM 1126 C VAL A 75 -19.863 8.385 -21.638 1.00 0.00 C ATOM 1127 O VAL A 75 -19.074 8.248 -20.702 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.435 10.315 -21.461 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.648 9.445 -21.753 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -21.182 10.405 -19.964 1.00 0.00 C ATOM 0 H VAL A 75 -21.364 9.837 -23.923 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.350 10.438 -22.005 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.639 11.319 -21.833 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.517 9.846 -21.232 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.840 9.437 -22.826 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.457 8.428 -21.411 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -22.071 10.793 -19.467 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.951 9.414 -19.574 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -20.341 11.073 -19.777 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.472 7.362 -22.227 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.245 5.986 -21.798 1.00 0.00 C ATOM 1142 C CYS A 76 -20.319 5.028 -22.981 1.00 0.00 C ATOM 1143 O CYS A 76 -20.981 5.292 -23.985 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.270 5.586 -20.736 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.947 5.365 -21.376 1.00 0.00 S ATOM 0 H CYS A 76 -21.127 7.459 -23.003 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.245 5.926 -21.368 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.947 4.657 -20.266 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -21.287 6.349 -19.957 1.00 0.00 H new ATOM 0 HG CYS A 76 -23.123 6.137 -22.407 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.623 3.887 -22.864 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.594 2.866 -23.916 1.00 0.00 C ATOM 1153 C PRO A 77 -20.931 2.150 -24.066 1.00 0.00 C ATOM 1154 O PRO A 77 -21.229 1.588 -25.119 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.516 1.892 -23.434 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.487 2.061 -21.954 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.812 3.506 -21.696 1.00 0.00 C ATOM 0 HA PRO A 77 -19.392 3.296 -24.897 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.758 0.866 -23.711 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.547 2.122 -23.878 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.213 1.406 -21.472 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.508 1.803 -21.551 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.364 3.634 -20.765 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.910 4.113 -21.618 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.733 2.174 -23.006 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.039 1.525 -23.021 1.00 0.00 C ATOM 1167 C GLU A 78 -24.138 2.524 -23.371 1.00 0.00 C ATOM 1168 O GLU A 78 -25.305 2.320 -23.041 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.330 0.884 -21.663 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.319 -0.176 -21.260 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.191 -1.281 -22.291 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -23.233 -1.832 -22.702 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -21.048 -1.596 -22.685 1.00 0.00 O ATOM 0 H GLU A 78 -21.501 2.636 -22.126 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.022 0.748 -23.785 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.351 1.663 -20.900 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.323 0.436 -21.688 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.346 0.293 -21.112 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.613 -0.609 -20.304 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.755 3.606 -24.042 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.719 4.621 -24.425 1.00 0.00 C ATOM 1182 C GLY A 79 -25.820 4.070 -25.309 1.00 0.00 C ATOM 1183 O GLY A 79 -27.003 4.250 -25.022 1.00 0.00 O ATOM 0 H GLY A 79 -22.795 3.798 -24.327 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -25.161 5.055 -23.528 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.205 5.427 -24.949 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.431 3.399 -26.388 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.395 2.820 -27.316 1.00 0.00 C ATOM 1189 C ALA A 80 -27.413 1.955 -26.581 1.00 0.00 C ATOM 1190 O ALA A 80 -28.557 1.820 -27.017 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.677 2.004 -28.381 1.00 0.00 C ATOM 0 H ALA A 80 -24.455 3.243 -26.641 1.00 0.00 H new ATOM 0 HA ALA A 80 -26.932 3.636 -27.799 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.409 1.577 -29.067 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -24.994 2.648 -28.934 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.114 1.201 -27.906 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.991 1.370 -25.465 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.866 0.517 -24.671 1.00 0.00 C ATOM 1199 C ARG A 81 -28.729 1.350 -23.728 1.00 0.00 C ATOM 1200 O ARG A 81 -29.909 1.061 -23.531 1.00 0.00 O ATOM 1201 CB ARG A 81 -27.040 -0.490 -23.868 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.182 -1.400 -24.732 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.896 -2.705 -25.047 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.619 -3.166 -26.405 1.00 0.00 N ATOM 1205 CZ ARG A 81 -27.144 -4.269 -26.928 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -27.968 -5.020 -26.210 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -26.844 -4.622 -28.171 1.00 0.00 N ATOM 0 H ARG A 81 -26.048 1.471 -25.090 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.522 -0.023 -25.354 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.396 0.051 -23.175 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.713 -1.102 -23.267 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.929 -0.889 -25.661 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.244 -1.612 -24.219 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.586 -3.469 -24.334 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.970 -2.570 -24.922 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.988 -2.611 -26.983 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.200 -4.751 -25.254 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.370 -5.866 -26.614 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -26.210 -4.047 -28.726 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -27.247 -5.469 -28.572 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.132 2.385 -23.147 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.845 3.261 -22.225 1.00 0.00 C ATOM 1223 C VAL A 82 -29.937 4.044 -22.945 1.00 0.00 C ATOM 1224 O VAL A 82 -31.081 4.095 -22.492 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.887 4.251 -21.537 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.652 5.163 -20.589 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.788 3.503 -20.799 1.00 0.00 C ATOM 0 H VAL A 82 -27.156 2.638 -23.298 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.299 2.622 -21.468 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.421 4.871 -22.303 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.959 5.856 -20.112 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.399 5.725 -21.149 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.147 4.562 -19.826 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.120 4.218 -20.319 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.233 2.857 -20.042 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.222 2.897 -21.506 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.577 4.654 -24.069 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.526 5.437 -24.852 1.00 0.00 C ATOM 1239 C TYR A 83 -31.769 4.616 -25.181 1.00 0.00 C ATOM 1240 O TYR A 83 -32.894 5.104 -25.075 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.870 5.929 -26.143 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.816 6.675 -27.057 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.246 7.959 -26.745 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.279 6.096 -28.232 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -32.111 8.644 -27.576 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.143 6.774 -29.070 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.557 8.047 -28.738 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.417 8.727 -29.569 1.00 0.00 O ATOM 0 H TYR A 83 -28.635 4.621 -24.458 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.828 6.297 -24.255 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -29.033 6.580 -25.890 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.458 5.074 -26.680 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.898 8.429 -25.837 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.958 5.099 -28.495 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.437 9.641 -27.318 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.492 6.310 -29.980 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.634 8.168 -30.344 1.00 0.00 H new ATOM 1258 N SER A 84 -31.557 3.366 -25.579 1.00 0.00 N ATOM 1259 CA SER A 84 -32.659 2.477 -25.927 1.00 0.00 C ATOM 1260 C SER A 84 -33.607 2.300 -24.745 1.00 0.00 C ATOM 1261 O SER A 84 -34.772 1.943 -24.919 1.00 0.00 O ATOM 1262 CB SER A 84 -32.122 1.115 -26.373 1.00 0.00 C ATOM 1263 OG SER A 84 -33.149 0.327 -26.951 1.00 0.00 O ATOM 0 H SER A 84 -30.632 2.946 -25.669 1.00 0.00 H new ATOM 0 HA SER A 84 -33.212 2.929 -26.750 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.318 1.256 -27.095 1.00 0.00 H new ATOM 0 HB3 SER A 84 -31.695 0.591 -25.518 1.00 0.00 H new ATOM 0 HG SER A 84 -32.781 -0.537 -27.229 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.099 2.552 -23.543 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.900 2.420 -22.332 1.00 0.00 C ATOM 1271 C GLN A 85 -34.576 3.741 -21.980 1.00 0.00 C ATOM 1272 O GLN A 85 -35.591 3.763 -21.282 1.00 0.00 O ATOM 1273 CB GLN A 85 -33.027 1.953 -21.166 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.780 0.453 -21.154 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.065 -0.351 -21.186 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.463 -0.866 -22.231 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -34.723 -0.462 -20.038 1.00 0.00 N ATOM 0 H GLN A 85 -32.136 2.849 -23.382 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.674 1.675 -22.518 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -32.069 2.470 -21.211 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.502 2.242 -20.229 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.166 0.183 -22.013 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.213 0.189 -20.261 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.357 -0.019 -19.195 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.595 -0.990 -19.999 1.00 0.00 H new ATOM 1286 N ILE A 86 -34.007 4.839 -22.465 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.556 6.163 -22.202 1.00 0.00 C ATOM 1288 C ILE A 86 -35.608 6.539 -23.239 1.00 0.00 C ATOM 1289 O ILE A 86 -36.565 7.254 -22.940 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.453 7.238 -22.194 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.390 6.901 -21.146 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -34.052 8.610 -21.926 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.072 7.608 -21.374 1.00 0.00 C ATOM 0 H ILE A 86 -33.166 4.838 -23.042 1.00 0.00 H new ATOM 0 HA ILE A 86 -35.020 6.121 -21.216 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.977 7.256 -23.174 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.768 7.165 -20.158 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.220 5.824 -21.145 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.260 9.359 -21.923 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.775 8.850 -22.705 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.551 8.606 -20.957 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.366 7.322 -20.594 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.671 7.325 -22.347 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.228 8.686 -21.345 1.00 0.00 H new ATOM 1305 N THR A 87 -35.427 6.050 -24.462 1.00 0.00 N ATOM 1306 CA THR A 87 -36.360 6.333 -25.545 1.00 0.00 C ATOM 1307 C THR A 87 -37.784 5.953 -25.156 1.00 0.00 C ATOM 1308 O THR A 87 -38.742 6.633 -25.525 1.00 0.00 O ATOM 1309 CB THR A 87 -35.973 5.580 -26.832 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.908 5.880 -27.875 1.00 0.00 O ATOM 1311 CG2 THR A 87 -35.939 4.079 -26.591 1.00 0.00 C ATOM 0 H THR A 87 -34.642 5.455 -24.727 1.00 0.00 H new ATOM 0 HA THR A 87 -36.311 7.406 -25.732 1.00 0.00 H new ATOM 0 HB THR A 87 -34.977 5.906 -27.132 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.654 5.399 -28.690 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.663 3.568 -27.514 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.206 3.851 -25.817 1.00 0.00 H new ATOM 0 HG23 THR A 87 -36.924 3.740 -26.269 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.918 4.862 -24.408 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.226 4.392 -23.968 1.00 0.00 C ATOM 1321 C VAL A 88 -39.831 5.339 -22.937 1.00 0.00 C ATOM 1322 O VAL A 88 -41.050 5.405 -22.782 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.140 2.979 -23.363 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.246 2.978 -22.132 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.529 2.459 -23.023 1.00 0.00 C ATOM 0 H VAL A 88 -37.136 4.287 -24.094 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.866 4.363 -24.850 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.699 2.312 -24.104 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.198 1.971 -21.718 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.244 3.305 -22.410 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.655 3.658 -21.385 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.449 1.459 -22.597 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -41.000 3.125 -22.300 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.135 2.420 -23.928 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.970 6.069 -22.235 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.420 7.012 -21.218 1.00 0.00 C ATOM 1337 C GLN A 89 -39.852 8.330 -21.851 1.00 0.00 C ATOM 1338 O GLN A 89 -40.916 8.864 -21.537 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.309 7.263 -20.197 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.672 5.989 -19.666 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.673 5.077 -18.983 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.706 3.872 -19.237 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.495 5.647 -18.111 1.00 0.00 N ATOM 0 H GLN A 89 -37.958 6.026 -22.352 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.279 6.575 -20.709 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.538 7.881 -20.656 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.717 7.831 -19.361 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -37.200 5.453 -20.489 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.882 6.249 -18.961 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.433 6.649 -17.931 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.189 5.083 -17.621 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.019 8.852 -22.746 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.314 10.108 -23.425 1.00 0.00 C ATOM 1354 C LYS A 90 -40.598 9.997 -24.242 1.00 0.00 C ATOM 1355 O LYS A 90 -41.411 10.920 -24.266 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.150 10.504 -24.336 1.00 0.00 C ATOM 1357 CG LYS A 90 -36.918 10.971 -23.581 1.00 0.00 C ATOM 1358 CD LYS A 90 -35.655 10.782 -24.403 1.00 0.00 C ATOM 1359 CE LYS A 90 -35.619 11.726 -25.596 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.346 11.165 -26.769 1.00 0.00 N ATOM 0 H LYS A 90 -38.134 8.424 -23.018 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.453 10.878 -22.666 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -37.882 9.651 -24.960 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -38.478 11.299 -25.006 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.028 12.023 -23.319 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -36.831 10.417 -22.646 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -34.781 10.955 -23.774 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -35.598 9.751 -24.752 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.063 12.682 -25.317 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -34.583 11.924 -25.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -35.784 11.318 -27.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.496 10.145 -26.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.266 11.640 -26.867 1.00 0.00 H new