USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 493 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -1.1 K(o=0.048,f=-4.1!) USER MOD Set 1.2: A 52 THR OG1 : rot 104:sc= 1.19 USER MOD Set 1.3: A 76 CYS SG : rot -8:sc= -0.0384 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= 0.989 USER MOD Single : A 29 ASN : amide:sc= -2.19 X(o=-2.2,f=-1.7) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0764 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= -0.164 K(o=-0.16,f=-1.4!) 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= -2.24! C(o=-2.2!,f=-12!) USER MOD Single : A 63 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0719 X(o=-0.072,f=-0.016) USER MOD Single : A 69 LYS NZ :NH3+ 162:sc= -0.315 (180deg=-0.822) USER MOD Single : A 74 THR OG1 : rot 75:sc= 0.738 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 90:sc= 1.13 USER MOD Single : A 85 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.47) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.82! C(o=-2.8!,f=-4.7!) USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= -0.231 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 390 N ILE A 28 -38.421 1.323 -11.284 1.00 0.00 N ATOM 391 CA ILE A 28 -37.802 2.641 -11.330 1.00 0.00 C ATOM 392 C ILE A 28 -38.043 3.315 -12.676 1.00 0.00 C ATOM 393 O ILE A 28 -38.028 2.664 -13.719 1.00 0.00 O ATOM 394 CB ILE A 28 -36.285 2.561 -11.073 1.00 0.00 C ATOM 395 CG1 ILE A 28 -36.002 1.739 -9.814 1.00 0.00 C ATOM 396 CG2 ILE A 28 -35.695 3.957 -10.945 1.00 0.00 C ATOM 397 CD1 ILE A 28 -36.606 2.329 -8.559 1.00 0.00 C ATOM 0 HA ILE A 28 -38.265 3.234 -10.541 1.00 0.00 H new ATOM 0 HB ILE A 28 -35.813 2.065 -11.921 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -36.389 0.730 -9.954 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -34.924 1.651 -9.682 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -34.623 3.884 -10.764 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -35.870 4.512 -11.867 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -36.169 4.477 -10.113 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -36.365 1.694 -7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -36.200 3.327 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -37.688 2.391 -8.671 1.00 0.00 H new ATOM 409 N ASN A 29 -38.263 4.626 -12.645 1.00 0.00 N ATOM 410 CA ASN A 29 -38.506 5.389 -13.863 1.00 0.00 C ATOM 411 C ASN A 29 -38.097 6.848 -13.682 1.00 0.00 C ATOM 412 O ASN A 29 -38.062 7.358 -12.562 1.00 0.00 O ATOM 413 CB ASN A 29 -39.983 5.307 -14.256 1.00 0.00 C ATOM 414 CG ASN A 29 -40.483 3.877 -14.327 1.00 0.00 C ATOM 415 OD1 ASN A 29 -40.448 3.247 -15.384 1.00 0.00 O ATOM 416 ND2 ASN A 29 -40.953 3.358 -13.199 1.00 0.00 N ATOM 0 H ASN A 29 -38.278 5.181 -11.789 1.00 0.00 H new ATOM 0 HA ASN A 29 -37.901 4.956 -14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -40.580 5.862 -13.533 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -40.126 5.788 -15.224 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -41.304 2.400 -13.186 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -40.963 3.917 -12.346 1.00 0.00 H new ATOM 423 N ILE A 30 -37.791 7.513 -14.791 1.00 0.00 N ATOM 424 CA ILE A 30 -37.386 8.913 -14.754 1.00 0.00 C ATOM 425 C ILE A 30 -38.191 9.744 -15.748 1.00 0.00 C ATOM 426 O ILE A 30 -38.744 9.215 -16.713 1.00 0.00 O ATOM 427 CB ILE A 30 -35.886 9.074 -15.064 1.00 0.00 C ATOM 428 CG1 ILE A 30 -35.497 8.217 -16.270 1.00 0.00 C ATOM 429 CG2 ILE A 30 -35.051 8.697 -13.849 1.00 0.00 C ATOM 430 CD1 ILE A 30 -34.027 8.295 -16.618 1.00 0.00 C ATOM 0 H ILE A 30 -37.816 7.105 -15.726 1.00 0.00 H new ATOM 0 HA ILE A 30 -37.580 9.271 -13.743 1.00 0.00 H new ATOM 0 HB ILE A 30 -35.690 10.119 -15.306 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -35.759 7.179 -16.067 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -36.084 8.531 -17.133 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -33.993 8.816 -14.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -35.312 9.345 -13.013 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -35.249 7.659 -13.579 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -33.824 7.663 -17.482 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -33.763 9.326 -16.853 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -33.434 7.952 -15.770 1.00 0.00 H new ATOM 442 N THR A 31 -38.251 11.050 -15.507 1.00 0.00 N ATOM 443 CA THR A 31 -38.987 11.955 -16.381 1.00 0.00 C ATOM 444 C THR A 31 -38.162 13.194 -16.708 1.00 0.00 C ATOM 445 O THR A 31 -37.034 13.343 -16.240 1.00 0.00 O ATOM 446 CB THR A 31 -40.319 12.392 -15.743 1.00 0.00 C ATOM 447 OG1 THR A 31 -40.129 12.662 -14.349 1.00 0.00 O ATOM 448 CG2 THR A 31 -41.381 11.317 -15.916 1.00 0.00 C ATOM 0 H THR A 31 -37.799 11.505 -14.714 1.00 0.00 H new ATOM 0 HA THR A 31 -39.196 11.408 -17.300 1.00 0.00 H new ATOM 0 HB THR A 31 -40.657 13.298 -16.246 1.00 0.00 H new ATOM 0 HG1 THR A 31 -40.980 12.941 -13.951 1.00 0.00 H new ATOM 0 HG21 THR A 31 -42.313 11.649 -15.457 1.00 0.00 H new ATOM 0 HG22 THR A 31 -41.544 11.135 -16.978 1.00 0.00 H new ATOM 0 HG23 THR A 31 -41.048 10.396 -15.437 1.00 0.00 H new ATOM 456 N TYR A 32 -38.733 14.082 -17.515 1.00 0.00 N ATOM 457 CA TYR A 32 -38.049 15.309 -17.907 1.00 0.00 C ATOM 458 C TYR A 32 -37.826 16.217 -16.701 1.00 0.00 C ATOM 459 O TYR A 32 -37.002 17.131 -16.742 1.00 0.00 O ATOM 460 CB TYR A 32 -38.857 16.049 -18.974 1.00 0.00 C ATOM 461 CG TYR A 32 -38.453 15.702 -20.389 1.00 0.00 C ATOM 462 CD1 TYR A 32 -37.195 16.038 -20.875 1.00 0.00 C ATOM 463 CD2 TYR A 32 -39.329 15.040 -21.240 1.00 0.00 C ATOM 464 CE1 TYR A 32 -36.822 15.723 -22.167 1.00 0.00 C ATOM 465 CE2 TYR A 32 -38.963 14.720 -22.533 1.00 0.00 C ATOM 466 CZ TYR A 32 -37.709 15.064 -22.992 1.00 0.00 C ATOM 467 OH TYR A 32 -37.341 14.748 -24.280 1.00 0.00 O ATOM 0 H TYR A 32 -39.667 13.975 -17.910 1.00 0.00 H new ATOM 0 HA TYR A 32 -37.077 15.038 -18.320 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -39.914 15.820 -18.841 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -38.742 17.123 -18.825 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -36.498 16.554 -20.232 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -40.313 14.771 -20.885 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -35.841 15.991 -22.529 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -39.655 14.203 -23.181 1.00 0.00 H new ATOM 0 HH TYR A 32 -38.080 14.285 -24.727 1.00 0.00 H new ATOM 477 N ASP A 33 -38.565 15.957 -15.628 1.00 0.00 N ATOM 478 CA ASP A 33 -38.448 16.749 -14.409 1.00 0.00 C ATOM 479 C ASP A 33 -37.964 15.887 -13.247 1.00 0.00 C ATOM 480 O ASP A 33 -38.444 16.020 -12.121 1.00 0.00 O ATOM 481 CB ASP A 33 -39.792 17.390 -14.061 1.00 0.00 C ATOM 482 CG ASP A 33 -40.157 18.518 -15.004 1.00 0.00 C ATOM 483 OD1 ASP A 33 -39.244 19.259 -15.426 1.00 0.00 O ATOM 484 OD2 ASP A 33 -41.356 18.661 -15.322 1.00 0.00 O ATOM 0 H ASP A 33 -39.251 15.204 -15.578 1.00 0.00 H new ATOM 0 HA ASP A 33 -37.715 17.536 -14.584 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.572 16.629 -14.090 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.756 17.771 -13.040 1.00 0.00 H new ATOM 489 N SER A 34 -37.012 15.004 -13.528 1.00 0.00 N ATOM 490 CA SER A 34 -36.466 14.117 -12.507 1.00 0.00 C ATOM 491 C SER A 34 -35.149 14.660 -11.962 1.00 0.00 C ATOM 492 O SER A 34 -34.573 15.597 -12.517 1.00 0.00 O ATOM 493 CB SER A 34 -36.255 12.714 -13.079 1.00 0.00 C ATOM 494 OG SER A 34 -37.455 11.961 -13.040 1.00 0.00 O ATOM 0 H SER A 34 -36.602 14.883 -14.454 1.00 0.00 H new ATOM 0 HA SER A 34 -37.183 14.063 -11.688 1.00 0.00 H new ATOM 0 HB2 SER A 34 -35.901 12.787 -14.107 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.480 12.199 -12.511 1.00 0.00 H new ATOM 0 HG SER A 34 -37.320 11.159 -12.494 1.00 0.00 H new ATOM 500 N THR A 35 -34.676 14.066 -10.871 1.00 0.00 N ATOM 501 CA THR A 35 -33.428 14.490 -10.250 1.00 0.00 C ATOM 502 C THR A 35 -32.259 13.636 -10.727 1.00 0.00 C ATOM 503 O THR A 35 -32.426 12.492 -11.151 1.00 0.00 O ATOM 504 CB THR A 35 -33.511 14.414 -8.714 1.00 0.00 C ATOM 505 OG1 THR A 35 -33.161 13.099 -8.268 1.00 0.00 O ATOM 506 CG2 THR A 35 -34.910 14.763 -8.230 1.00 0.00 C ATOM 0 H THR A 35 -35.139 13.289 -10.399 1.00 0.00 H new ATOM 0 HA THR A 35 -33.263 15.526 -10.547 1.00 0.00 H new ATOM 0 HB THR A 35 -32.809 15.137 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.215 13.060 -7.290 1.00 0.00 H new ATOM 0 HG21 THR A 35 -34.944 14.703 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 35 -35.162 15.776 -8.545 1.00 0.00 H new ATOM 0 HG23 THR A 35 -35.628 14.061 -8.655 1.00 0.00 H new ATOM 514 N PRO A 36 -31.044 14.201 -10.657 1.00 0.00 N ATOM 515 CA PRO A 36 -29.823 13.508 -11.076 1.00 0.00 C ATOM 516 C PRO A 36 -29.453 12.365 -10.137 1.00 0.00 C ATOM 517 O PRO A 36 -28.543 11.586 -10.420 1.00 0.00 O ATOM 518 CB PRO A 36 -28.757 14.606 -11.029 1.00 0.00 C ATOM 519 CG PRO A 36 -29.272 15.590 -10.036 1.00 0.00 C ATOM 520 CD PRO A 36 -30.770 15.561 -10.162 1.00 0.00 C ATOM 0 HA PRO A 36 -29.934 13.045 -12.056 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.790 14.206 -10.725 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.619 15.066 -12.007 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -28.960 15.324 -9.026 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -28.883 16.588 -10.238 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.258 15.746 -9.205 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.130 16.321 -10.855 1.00 0.00 H new ATOM 528 N GLU A 37 -30.164 12.272 -9.017 1.00 0.00 N ATOM 529 CA GLU A 37 -29.909 11.224 -8.036 1.00 0.00 C ATOM 530 C GLU A 37 -30.833 10.031 -8.261 1.00 0.00 C ATOM 531 O GLU A 37 -30.513 8.903 -7.884 1.00 0.00 O ATOM 532 CB GLU A 37 -30.095 11.766 -6.618 1.00 0.00 C ATOM 533 CG GLU A 37 -29.084 11.223 -5.621 1.00 0.00 C ATOM 534 CD GLU A 37 -28.679 12.251 -4.583 1.00 0.00 C ATOM 535 OE1 GLU A 37 -28.146 13.311 -4.972 1.00 0.00 O ATOM 536 OE2 GLU A 37 -28.896 11.996 -3.380 1.00 0.00 O ATOM 0 H GLU A 37 -30.920 12.909 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 37 -28.878 10.891 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -30.022 12.853 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -31.100 11.521 -6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -29.506 10.352 -5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -28.197 10.884 -6.156 1.00 0.00 H new ATOM 543 N ASP A 38 -31.981 10.288 -8.879 1.00 0.00 N ATOM 544 CA ASP A 38 -32.953 9.236 -9.155 1.00 0.00 C ATOM 545 C ASP A 38 -32.569 8.458 -10.410 1.00 0.00 C ATOM 546 O ASP A 38 -32.893 7.277 -10.544 1.00 0.00 O ATOM 547 CB ASP A 38 -34.351 9.834 -9.319 1.00 0.00 C ATOM 548 CG ASP A 38 -35.157 9.781 -8.036 1.00 0.00 C ATOM 549 OD1 ASP A 38 -34.549 9.868 -6.948 1.00 0.00 O ATOM 550 OD2 ASP A 38 -36.397 9.652 -8.120 1.00 0.00 O ATOM 0 H ASP A 38 -32.261 11.215 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 38 -32.958 8.548 -8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -34.264 10.870 -9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -34.884 9.295 -10.102 1.00 0.00 H new ATOM 555 N VAL A 39 -31.878 9.127 -11.327 1.00 0.00 N ATOM 556 CA VAL A 39 -31.450 8.498 -12.571 1.00 0.00 C ATOM 557 C VAL A 39 -30.401 7.423 -12.310 1.00 0.00 C ATOM 558 O VAL A 39 -30.370 6.393 -12.985 1.00 0.00 O ATOM 559 CB VAL A 39 -30.874 9.535 -13.554 1.00 0.00 C ATOM 560 CG1 VAL A 39 -30.382 8.853 -14.822 1.00 0.00 C ATOM 561 CG2 VAL A 39 -31.914 10.596 -13.879 1.00 0.00 C ATOM 0 H VAL A 39 -31.603 10.104 -11.232 1.00 0.00 H new ATOM 0 HA VAL A 39 -32.333 8.039 -13.015 1.00 0.00 H new ATOM 0 HB VAL A 39 -30.024 10.026 -13.080 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -29.979 9.601 -15.504 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -29.602 8.134 -14.570 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -31.212 8.334 -15.302 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -31.490 11.320 -14.575 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -32.786 10.124 -14.333 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -32.213 11.105 -12.963 1.00 0.00 H new ATOM 571 N LYS A 40 -29.541 7.668 -11.327 1.00 0.00 N ATOM 572 CA LYS A 40 -28.490 6.721 -10.975 1.00 0.00 C ATOM 573 C LYS A 40 -29.080 5.356 -10.634 1.00 0.00 C ATOM 574 O LYS A 40 -28.549 4.320 -11.036 1.00 0.00 O ATOM 575 CB LYS A 40 -27.677 7.248 -9.790 1.00 0.00 C ATOM 576 CG LYS A 40 -26.175 7.184 -10.007 1.00 0.00 C ATOM 577 CD LYS A 40 -25.451 8.254 -9.208 1.00 0.00 C ATOM 578 CE LYS A 40 -25.101 7.766 -7.811 1.00 0.00 C ATOM 579 NZ LYS A 40 -23.642 7.877 -7.533 1.00 0.00 N ATOM 0 H LYS A 40 -29.552 8.515 -10.760 1.00 0.00 H new ATOM 0 HA LYS A 40 -27.833 6.608 -11.837 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -27.964 8.281 -9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -27.932 6.672 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -25.806 6.200 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.954 7.308 -11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.540 8.546 -9.731 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -26.078 9.143 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.656 8.346 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -25.414 6.728 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.445 7.534 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -23.113 7.303 -8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -23.348 8.871 -7.613 1.00 0.00 H new ATOM 593 N THR A 41 -30.182 5.362 -9.890 1.00 0.00 N ATOM 594 CA THR A 41 -30.844 4.125 -9.496 1.00 0.00 C ATOM 595 C THR A 41 -31.610 3.514 -10.664 1.00 0.00 C ATOM 596 O THR A 41 -31.777 2.297 -10.740 1.00 0.00 O ATOM 597 CB THR A 41 -31.817 4.357 -8.324 1.00 0.00 C ATOM 598 OG1 THR A 41 -31.106 4.867 -7.191 1.00 0.00 O ATOM 599 CG2 THR A 41 -32.526 3.065 -7.946 1.00 0.00 C ATOM 0 H THR A 41 -30.634 6.210 -9.548 1.00 0.00 H new ATOM 0 HA THR A 41 -30.062 3.436 -9.178 1.00 0.00 H new ATOM 0 HB THR A 41 -32.565 5.084 -8.640 1.00 0.00 H new ATOM 0 HG1 THR A 41 -31.732 5.013 -6.451 1.00 0.00 H new ATOM 0 HG21 THR A 41 -33.208 3.253 -7.117 1.00 0.00 H new ATOM 0 HG22 THR A 41 -33.090 2.695 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 41 -31.789 2.319 -7.648 1.00 0.00 H new ATOM 607 N TRP A 42 -32.072 4.366 -11.571 1.00 0.00 N ATOM 608 CA TRP A 42 -32.820 3.909 -12.737 1.00 0.00 C ATOM 609 C TRP A 42 -31.934 3.083 -13.663 1.00 0.00 C ATOM 610 O TRP A 42 -32.396 2.133 -14.296 1.00 0.00 O ATOM 611 CB TRP A 42 -33.401 5.103 -13.497 1.00 0.00 C ATOM 612 CG TRP A 42 -34.129 4.714 -14.748 1.00 0.00 C ATOM 613 CD1 TRP A 42 -35.405 4.233 -14.837 1.00 0.00 C ATOM 614 CD2 TRP A 42 -33.625 4.771 -16.086 1.00 0.00 C ATOM 615 NE1 TRP A 42 -35.723 3.988 -16.151 1.00 0.00 N ATOM 616 CE2 TRP A 42 -34.649 4.311 -16.937 1.00 0.00 C ATOM 617 CE3 TRP A 42 -32.409 5.168 -16.649 1.00 0.00 C ATOM 618 CZ2 TRP A 42 -34.491 4.237 -18.319 1.00 0.00 C ATOM 619 CZ3 TRP A 42 -32.254 5.094 -18.020 1.00 0.00 C ATOM 620 CH2 TRP A 42 -33.290 4.632 -18.843 1.00 0.00 C ATOM 0 H TRP A 42 -31.942 5.377 -11.522 1.00 0.00 H new ATOM 0 HA TRP A 42 -33.637 3.277 -12.388 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -34.083 5.644 -12.842 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -32.594 5.789 -13.753 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -36.066 4.070 -13.998 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -36.615 3.624 -16.487 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -31.605 5.526 -16.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -35.288 3.881 -18.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -31.318 5.398 -18.465 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -33.138 4.587 -19.911 1.00 0.00 H new ATOM 631 N LEU A 43 -30.660 3.451 -13.739 1.00 0.00 N ATOM 632 CA LEU A 43 -29.708 2.743 -14.588 1.00 0.00 C ATOM 633 C LEU A 43 -29.298 1.416 -13.958 1.00 0.00 C ATOM 634 O LEU A 43 -29.205 0.397 -14.641 1.00 0.00 O ATOM 635 CB LEU A 43 -28.471 3.609 -14.832 1.00 0.00 C ATOM 636 CG LEU A 43 -28.730 5.009 -15.390 1.00 0.00 C ATOM 637 CD1 LEU A 43 -27.831 6.029 -14.710 1.00 0.00 C ATOM 638 CD2 LEU A 43 -28.520 5.030 -16.897 1.00 0.00 C ATOM 0 H LEU A 43 -30.262 4.236 -13.223 1.00 0.00 H new ATOM 0 HA LEU A 43 -30.193 2.536 -15.542 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -27.931 3.709 -13.890 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -27.813 3.081 -15.522 1.00 0.00 H new ATOM 0 HG LEU A 43 -29.767 5.275 -15.185 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -28.029 7.019 -15.120 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -28.031 6.033 -13.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -26.787 5.767 -14.883 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -28.709 6.034 -17.277 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -27.494 4.743 -17.125 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -29.207 4.328 -17.370 1.00 0.00 H new ATOM 650 N GLN A 44 -29.056 1.437 -12.651 1.00 0.00 N ATOM 651 CA GLN A 44 -28.658 0.234 -11.929 1.00 0.00 C ATOM 652 C GLN A 44 -29.761 -0.818 -11.973 1.00 0.00 C ATOM 653 O GLN A 44 -29.502 -1.993 -12.232 1.00 0.00 O ATOM 654 CB GLN A 44 -28.319 0.575 -10.477 1.00 0.00 C ATOM 655 CG GLN A 44 -26.966 1.247 -10.309 1.00 0.00 C ATOM 656 CD GLN A 44 -25.901 0.296 -9.799 1.00 0.00 C ATOM 657 OE1 GLN A 44 -26.067 -0.923 -9.845 1.00 0.00 O ATOM 658 NE2 GLN A 44 -24.799 0.850 -9.308 1.00 0.00 N ATOM 0 H GLN A 44 -29.128 2.273 -12.071 1.00 0.00 H new ATOM 0 HA GLN A 44 -27.772 -0.175 -12.415 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -29.093 1.230 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.337 -0.340 -9.884 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -26.649 1.662 -11.266 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -27.063 2.083 -9.616 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -24.703 1.865 -9.289 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.048 0.260 -8.950 1.00 0.00 H new ATOM 667 N SER A 45 -30.993 -0.388 -11.718 1.00 0.00 N ATOM 668 CA SER A 45 -32.136 -1.293 -11.725 1.00 0.00 C ATOM 669 C SER A 45 -32.184 -2.097 -13.021 1.00 0.00 C ATOM 670 O SER A 45 -32.320 -3.321 -13.002 1.00 0.00 O ATOM 671 CB SER A 45 -33.437 -0.508 -11.549 1.00 0.00 C ATOM 672 OG SER A 45 -34.548 -1.251 -12.019 1.00 0.00 O ATOM 0 H SER A 45 -31.225 0.582 -11.504 1.00 0.00 H new ATOM 0 HA SER A 45 -32.024 -1.987 -10.892 1.00 0.00 H new ATOM 0 HB2 SER A 45 -33.578 -0.263 -10.496 1.00 0.00 H new ATOM 0 HB3 SER A 45 -33.372 0.436 -12.090 1.00 0.00 H new ATOM 0 HG SER A 45 -35.368 -0.728 -11.894 1.00 0.00 H new ATOM 678 N LYS A 46 -32.073 -1.400 -14.146 1.00 0.00 N ATOM 679 CA LYS A 46 -32.102 -2.046 -15.453 1.00 0.00 C ATOM 680 C LYS A 46 -30.988 -3.080 -15.574 1.00 0.00 C ATOM 681 O LYS A 46 -31.127 -4.076 -16.283 1.00 0.00 O ATOM 682 CB LYS A 46 -31.967 -1.002 -16.564 1.00 0.00 C ATOM 683 CG LYS A 46 -33.116 -0.010 -16.611 1.00 0.00 C ATOM 684 CD LYS A 46 -34.428 -0.692 -16.962 1.00 0.00 C ATOM 685 CE LYS A 46 -35.585 0.294 -16.965 1.00 0.00 C ATOM 686 NZ LYS A 46 -36.861 -0.346 -16.539 1.00 0.00 N ATOM 0 H LYS A 46 -31.962 -0.387 -14.179 1.00 0.00 H new ATOM 0 HA LYS A 46 -33.060 -2.556 -15.557 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -31.033 -0.457 -16.427 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -31.900 -1.513 -17.525 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -33.210 0.486 -15.645 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -32.899 0.764 -17.347 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -34.345 -1.160 -17.943 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -34.629 -1.488 -16.245 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -35.355 1.125 -16.298 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -35.704 0.711 -17.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -37.625 0.359 -16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -37.094 -1.123 -17.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -36.756 -0.722 -15.575 1.00 0.00 H new ATOM 700 N GLY A 47 -29.883 -2.838 -14.876 1.00 0.00 N ATOM 701 CA GLY A 47 -28.762 -3.758 -14.919 1.00 0.00 C ATOM 702 C GLY A 47 -27.598 -3.218 -15.727 1.00 0.00 C ATOM 703 O GLY A 47 -26.805 -3.984 -16.275 1.00 0.00 O ATOM 0 H GLY A 47 -29.744 -2.021 -14.281 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -28.429 -3.967 -13.903 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -29.090 -4.705 -15.348 1.00 0.00 H new ATOM 707 N PHE A 48 -27.496 -1.895 -15.803 1.00 0.00 N ATOM 708 CA PHE A 48 -26.423 -1.253 -16.552 1.00 0.00 C ATOM 709 C PHE A 48 -25.134 -1.220 -15.736 1.00 0.00 C ATOM 710 O PHE A 48 -25.164 -1.074 -14.515 1.00 0.00 O ATOM 711 CB PHE A 48 -26.827 0.169 -16.946 1.00 0.00 C ATOM 712 CG PHE A 48 -27.777 0.222 -18.109 1.00 0.00 C ATOM 713 CD1 PHE A 48 -27.327 -0.008 -19.399 1.00 0.00 C ATOM 714 CD2 PHE A 48 -29.119 0.501 -17.911 1.00 0.00 C ATOM 715 CE1 PHE A 48 -28.199 0.041 -20.470 1.00 0.00 C ATOM 716 CE2 PHE A 48 -29.996 0.551 -18.979 1.00 0.00 C ATOM 717 CZ PHE A 48 -29.535 0.320 -20.260 1.00 0.00 C ATOM 0 H PHE A 48 -28.144 -1.247 -15.355 1.00 0.00 H new ATOM 0 HA PHE A 48 -26.245 -1.836 -17.456 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.288 0.658 -16.088 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -25.930 0.738 -17.193 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -26.283 -0.228 -19.569 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -29.485 0.682 -16.911 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.836 -0.139 -21.471 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.040 0.770 -18.811 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.218 0.357 -21.096 1.00 0.00 H new ATOM 727 N ASN A 49 -24.003 -1.357 -16.421 1.00 0.00 N ATOM 728 CA ASN A 49 -22.703 -1.344 -15.760 1.00 0.00 C ATOM 729 C ASN A 49 -22.554 -0.110 -14.876 1.00 0.00 C ATOM 730 O ASN A 49 -23.200 0.917 -15.087 1.00 0.00 O ATOM 731 CB ASN A 49 -21.580 -1.380 -16.798 1.00 0.00 C ATOM 732 CG ASN A 49 -21.481 -0.089 -17.588 1.00 0.00 C ATOM 733 OD1 ASN A 49 -22.378 0.752 -17.538 1.00 0.00 O ATOM 734 ND2 ASN A 49 -20.386 0.073 -18.322 1.00 0.00 N ATOM 0 H ASN A 49 -23.961 -1.478 -17.433 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.635 -2.231 -15.130 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.631 -1.569 -16.296 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -21.749 -2.210 -17.484 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.263 0.922 -18.874 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -19.668 -0.651 -18.333 1.00 0.00 H new ATOM 741 N PRO A 50 -21.683 -0.210 -13.861 1.00 0.00 N ATOM 742 CA PRO A 50 -21.428 0.889 -12.925 1.00 0.00 C ATOM 743 C PRO A 50 -20.682 2.047 -13.580 1.00 0.00 C ATOM 744 O PRO A 50 -20.799 3.195 -13.152 1.00 0.00 O ATOM 745 CB PRO A 50 -20.562 0.239 -11.843 1.00 0.00 C ATOM 746 CG PRO A 50 -19.897 -0.905 -12.527 1.00 0.00 C ATOM 747 CD PRO A 50 -20.879 -1.404 -13.550 1.00 0.00 C ATOM 0 HA PRO A 50 -22.352 1.325 -12.546 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.830 0.943 -11.446 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -21.167 -0.100 -11.002 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.967 -0.590 -13.000 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -19.642 -1.690 -11.815 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -20.375 -1.791 -14.436 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -21.495 -2.212 -13.155 1.00 0.00 H new ATOM 755 N VAL A 51 -19.916 1.738 -14.621 1.00 0.00 N ATOM 756 CA VAL A 51 -19.152 2.753 -15.337 1.00 0.00 C ATOM 757 C VAL A 51 -20.074 3.782 -15.981 1.00 0.00 C ATOM 758 O VAL A 51 -19.668 4.911 -16.256 1.00 0.00 O ATOM 759 CB VAL A 51 -18.263 2.123 -16.425 1.00 0.00 C ATOM 760 CG1 VAL A 51 -17.509 3.202 -17.189 1.00 0.00 C ATOM 761 CG2 VAL A 51 -17.298 1.121 -15.811 1.00 0.00 C ATOM 0 H VAL A 51 -19.808 0.792 -14.988 1.00 0.00 H new ATOM 0 HA VAL A 51 -18.517 3.248 -14.602 1.00 0.00 H new ATOM 0 HB VAL A 51 -18.903 1.591 -17.129 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -16.886 2.738 -17.954 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.221 3.878 -17.662 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -16.879 3.764 -16.499 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -16.678 0.686 -16.595 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -16.662 1.626 -15.084 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -17.861 0.331 -15.314 1.00 0.00 H new ATOM 771 N THR A 52 -21.320 3.384 -16.220 1.00 0.00 N ATOM 772 CA THR A 52 -22.301 4.271 -16.833 1.00 0.00 C ATOM 773 C THR A 52 -23.114 5.007 -15.774 1.00 0.00 C ATOM 774 O THR A 52 -23.357 6.209 -15.888 1.00 0.00 O ATOM 775 CB THR A 52 -23.262 3.495 -17.754 1.00 0.00 C ATOM 776 OG1 THR A 52 -22.542 2.949 -18.865 1.00 0.00 O ATOM 777 CG2 THR A 52 -24.375 4.399 -18.259 1.00 0.00 C ATOM 0 H THR A 52 -21.673 2.453 -15.998 1.00 0.00 H new ATOM 0 HA THR A 52 -21.744 4.995 -17.428 1.00 0.00 H new ATOM 0 HB THR A 52 -23.708 2.685 -17.177 1.00 0.00 H new ATOM 0 HG1 THR A 52 -22.409 1.988 -18.728 1.00 0.00 H new ATOM 0 HG21 THR A 52 -25.041 3.829 -18.907 1.00 0.00 H new ATOM 0 HG22 THR A 52 -24.939 4.789 -17.412 1.00 0.00 H new ATOM 0 HG23 THR A 52 -23.944 5.228 -18.820 1.00 0.00 H new ATOM 785 N VAL A 53 -23.532 4.280 -14.744 1.00 0.00 N ATOM 786 CA VAL A 53 -24.316 4.865 -13.663 1.00 0.00 C ATOM 787 C VAL A 53 -23.522 5.938 -12.927 1.00 0.00 C ATOM 788 O VAL A 53 -24.095 6.812 -12.277 1.00 0.00 O ATOM 789 CB VAL A 53 -24.768 3.793 -12.653 1.00 0.00 C ATOM 790 CG1 VAL A 53 -25.625 4.415 -11.561 1.00 0.00 C ATOM 791 CG2 VAL A 53 -25.521 2.677 -13.362 1.00 0.00 C ATOM 0 H VAL A 53 -23.341 3.284 -14.635 1.00 0.00 H new ATOM 0 HA VAL A 53 -25.196 5.317 -14.120 1.00 0.00 H new ATOM 0 HB VAL A 53 -23.882 3.363 -12.186 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -25.935 3.642 -10.857 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -25.048 5.175 -11.035 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -26.507 4.874 -12.008 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -25.833 1.929 -12.634 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -26.400 3.089 -13.858 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -24.870 2.213 -14.103 1.00 0.00 H new ATOM 801 N ASN A 54 -22.199 5.866 -13.033 1.00 0.00 N ATOM 802 CA ASN A 54 -21.326 6.832 -12.377 1.00 0.00 C ATOM 803 C ASN A 54 -21.199 8.104 -13.210 1.00 0.00 C ATOM 804 O ASN A 54 -21.192 9.212 -12.673 1.00 0.00 O ATOM 805 CB ASN A 54 -19.942 6.223 -12.143 1.00 0.00 C ATOM 806 CG ASN A 54 -19.569 6.183 -10.673 1.00 0.00 C ATOM 807 OD1 ASN A 54 -19.090 7.170 -10.116 1.00 0.00 O ATOM 808 ND2 ASN A 54 -19.789 5.037 -10.038 1.00 0.00 N ATOM 0 H ASN A 54 -21.708 5.149 -13.567 1.00 0.00 H new ATOM 0 HA ASN A 54 -21.770 7.091 -11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.920 5.211 -12.548 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.196 6.801 -12.689 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.559 4.950 -9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.188 4.244 -10.540 1.00 0.00 H new ATOM 815 N SER A 55 -21.100 7.936 -14.525 1.00 0.00 N ATOM 816 CA SER A 55 -20.970 9.070 -15.433 1.00 0.00 C ATOM 817 C SER A 55 -22.315 9.762 -15.633 1.00 0.00 C ATOM 818 O SER A 55 -22.406 10.990 -15.600 1.00 0.00 O ATOM 819 CB SER A 55 -20.415 8.610 -16.782 1.00 0.00 C ATOM 820 OG SER A 55 -19.256 9.346 -17.134 1.00 0.00 O ATOM 0 H SER A 55 -21.107 7.026 -14.985 1.00 0.00 H new ATOM 0 HA SER A 55 -20.276 9.783 -14.987 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.175 7.548 -16.737 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.176 8.733 -17.553 1.00 0.00 H new ATOM 0 HG SER A 55 -18.919 9.032 -17.999 1.00 0.00 H new ATOM 826 N LEU A 56 -23.358 8.966 -15.840 1.00 0.00 N ATOM 827 CA LEU A 56 -24.700 9.500 -16.045 1.00 0.00 C ATOM 828 C LEU A 56 -25.474 9.547 -14.732 1.00 0.00 C ATOM 829 O LEU A 56 -26.703 9.605 -14.726 1.00 0.00 O ATOM 830 CB LEU A 56 -25.457 8.651 -17.068 1.00 0.00 C ATOM 831 CG LEU A 56 -24.719 8.356 -18.374 1.00 0.00 C ATOM 832 CD1 LEU A 56 -25.505 7.366 -19.220 1.00 0.00 C ATOM 833 CD2 LEU A 56 -24.472 9.643 -19.148 1.00 0.00 C ATOM 0 H LEU A 56 -23.300 7.948 -15.870 1.00 0.00 H new ATOM 0 HA LEU A 56 -24.606 10.517 -16.425 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -25.719 7.702 -16.600 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -26.392 9.157 -17.309 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.755 7.909 -18.132 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -24.964 7.168 -20.145 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.631 6.435 -18.667 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -26.484 7.784 -19.454 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.946 9.415 -20.075 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.426 10.117 -19.379 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.867 10.320 -18.545 1.00 0.00 H new ATOM 845 N GLY A 57 -24.746 9.523 -13.620 1.00 0.00 N ATOM 846 CA GLY A 57 -25.382 9.565 -12.316 1.00 0.00 C ATOM 847 C GLY A 57 -25.360 10.952 -11.705 1.00 0.00 C ATOM 848 O GLY A 57 -25.698 11.128 -10.535 1.00 0.00 O ATOM 0 H GLY A 57 -23.727 9.475 -13.599 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -26.415 9.228 -12.408 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -24.878 8.868 -11.646 1.00 0.00 H new ATOM 852 N VAL A 58 -24.960 11.941 -12.499 1.00 0.00 N ATOM 853 CA VAL A 58 -24.895 13.319 -12.030 1.00 0.00 C ATOM 854 C VAL A 58 -25.849 14.213 -12.814 1.00 0.00 C ATOM 855 O VAL A 58 -26.156 15.330 -12.396 1.00 0.00 O ATOM 856 CB VAL A 58 -23.467 13.885 -12.146 1.00 0.00 C ATOM 857 CG1 VAL A 58 -22.561 13.269 -11.090 1.00 0.00 C ATOM 858 CG2 VAL A 58 -22.912 13.646 -13.542 1.00 0.00 C ATOM 0 H VAL A 58 -24.676 11.812 -13.470 1.00 0.00 H new ATOM 0 HA VAL A 58 -25.190 13.310 -10.981 1.00 0.00 H new ATOM 0 HB VAL A 58 -23.505 14.961 -11.974 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.556 13.681 -11.187 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -22.952 13.496 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -22.525 12.188 -11.227 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.903 14.052 -13.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.886 12.575 -13.745 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -23.549 14.139 -14.276 1.00 0.00 H new ATOM 868 N LEU A 59 -26.315 13.714 -13.954 1.00 0.00 N ATOM 869 CA LEU A 59 -27.236 14.467 -14.798 1.00 0.00 C ATOM 870 C LEU A 59 -28.685 14.137 -14.454 1.00 0.00 C ATOM 871 O LEU A 59 -29.032 12.977 -14.237 1.00 0.00 O ATOM 872 CB LEU A 59 -26.969 14.164 -16.274 1.00 0.00 C ATOM 873 CG LEU A 59 -25.648 14.689 -16.839 1.00 0.00 C ATOM 874 CD1 LEU A 59 -25.524 14.343 -18.314 1.00 0.00 C ATOM 875 CD2 LEU A 59 -25.539 16.192 -16.630 1.00 0.00 C ATOM 0 H LEU A 59 -26.070 12.792 -14.315 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.072 15.529 -14.615 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -26.997 13.083 -16.413 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.785 14.582 -16.863 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.829 14.208 -16.304 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.578 14.724 -18.699 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.556 13.261 -18.438 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.349 14.796 -18.864 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -24.593 16.548 -17.038 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -26.364 16.691 -17.138 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -25.581 16.415 -15.564 1.00 0.00 H new ATOM 887 N ASN A 60 -29.526 15.165 -14.407 1.00 0.00 N ATOM 888 CA ASN A 60 -30.938 14.983 -14.091 1.00 0.00 C ATOM 889 C ASN A 60 -31.677 14.334 -15.257 1.00 0.00 C ATOM 890 O ASN A 60 -31.174 14.291 -16.378 1.00 0.00 O ATOM 891 CB ASN A 60 -31.582 16.328 -13.749 1.00 0.00 C ATOM 892 CG ASN A 60 -31.352 17.370 -14.827 1.00 0.00 C ATOM 893 OD1 ASN A 60 -31.968 17.325 -15.891 1.00 0.00 O ATOM 894 ND2 ASN A 60 -30.461 18.316 -14.554 1.00 0.00 N ATOM 0 H ASN A 60 -29.254 16.132 -14.584 1.00 0.00 H new ATOM 0 HA ASN A 60 -31.010 14.323 -13.227 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -32.653 16.189 -13.605 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -31.178 16.691 -12.804 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -30.264 19.045 -15.240 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -29.973 18.314 -13.658 1.00 0.00 H new ATOM 901 N GLY A 61 -32.877 13.831 -14.983 1.00 0.00 N ATOM 902 CA GLY A 61 -33.667 13.191 -16.019 1.00 0.00 C ATOM 903 C GLY A 61 -33.807 14.054 -17.257 1.00 0.00 C ATOM 904 O GLY A 61 -33.791 13.549 -18.379 1.00 0.00 O ATOM 0 H GLY A 61 -33.316 13.855 -14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -33.204 12.243 -16.291 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -34.657 12.961 -15.626 1.00 0.00 H new ATOM 908 N ALA A 62 -33.947 15.360 -17.054 1.00 0.00 N ATOM 909 CA ALA A 62 -34.090 16.295 -18.163 1.00 0.00 C ATOM 910 C ALA A 62 -32.872 16.250 -19.079 1.00 0.00 C ATOM 911 O ALA A 62 -32.997 16.023 -20.282 1.00 0.00 O ATOM 912 CB ALA A 62 -34.307 17.706 -17.639 1.00 0.00 C ATOM 0 H ALA A 62 -33.964 15.794 -16.131 1.00 0.00 H new ATOM 0 HA ALA A 62 -34.962 15.998 -18.746 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -34.412 18.394 -18.478 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -35.212 17.733 -17.032 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -33.453 18.004 -17.031 1.00 0.00 H new ATOM 918 N GLN A 63 -31.695 16.469 -18.502 1.00 0.00 N ATOM 919 CA GLN A 63 -30.454 16.455 -19.268 1.00 0.00 C ATOM 920 C GLN A 63 -30.245 15.102 -19.940 1.00 0.00 C ATOM 921 O GLN A 63 -29.967 15.028 -21.138 1.00 0.00 O ATOM 922 CB GLN A 63 -29.266 16.776 -18.361 1.00 0.00 C ATOM 923 CG GLN A 63 -29.321 18.169 -17.755 1.00 0.00 C ATOM 924 CD GLN A 63 -28.330 19.122 -18.393 1.00 0.00 C ATOM 925 OE1 GLN A 63 -27.627 19.860 -17.702 1.00 0.00 O ATOM 926 NE2 GLN A 63 -28.269 19.113 -19.720 1.00 0.00 N ATOM 0 H GLN A 63 -31.574 16.658 -17.507 1.00 0.00 H new ATOM 0 HA GLN A 63 -30.526 17.218 -20.043 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -29.224 16.041 -17.557 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -28.344 16.674 -18.934 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -30.328 18.570 -17.866 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -29.120 18.104 -16.686 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -28.870 18.485 -20.254 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -27.621 19.734 -20.205 1.00 0.00 H new ATOM 935 N LEU A 64 -30.380 14.033 -19.162 1.00 0.00 N ATOM 936 CA LEU A 64 -30.205 12.681 -19.682 1.00 0.00 C ATOM 937 C LEU A 64 -31.148 12.422 -20.853 1.00 0.00 C ATOM 938 O LEU A 64 -30.782 11.758 -21.823 1.00 0.00 O ATOM 939 CB LEU A 64 -30.451 11.653 -18.577 1.00 0.00 C ATOM 940 CG LEU A 64 -30.403 10.185 -19.003 1.00 0.00 C ATOM 941 CD1 LEU A 64 -29.378 9.423 -18.178 1.00 0.00 C ATOM 942 CD2 LEU A 64 -31.778 9.546 -18.871 1.00 0.00 C ATOM 0 H LEU A 64 -30.610 14.076 -18.169 1.00 0.00 H new ATOM 0 HA LEU A 64 -29.179 12.584 -20.037 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -29.710 11.807 -17.793 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -31.428 11.851 -18.135 1.00 0.00 H new ATOM 0 HG LEU A 64 -30.102 10.140 -20.050 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -29.358 8.380 -18.495 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -28.392 9.865 -18.323 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -29.648 9.476 -17.123 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -31.725 8.502 -19.178 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -32.107 9.603 -17.834 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -32.488 10.076 -19.506 1.00 0.00 H new ATOM 954 N PHE A 65 -32.362 12.953 -20.757 1.00 0.00 N ATOM 955 CA PHE A 65 -33.358 12.781 -21.808 1.00 0.00 C ATOM 956 C PHE A 65 -32.933 13.502 -23.084 1.00 0.00 C ATOM 957 O PHE A 65 -33.388 13.172 -24.178 1.00 0.00 O ATOM 958 CB PHE A 65 -34.718 13.303 -21.342 1.00 0.00 C ATOM 959 CG PHE A 65 -35.524 12.286 -20.586 1.00 0.00 C ATOM 960 CD1 PHE A 65 -34.897 11.309 -19.830 1.00 0.00 C ATOM 961 CD2 PHE A 65 -36.909 12.308 -20.630 1.00 0.00 C ATOM 962 CE1 PHE A 65 -35.636 10.372 -19.134 1.00 0.00 C ATOM 963 CE2 PHE A 65 -37.653 11.373 -19.935 1.00 0.00 C ATOM 964 CZ PHE A 65 -37.016 10.404 -19.185 1.00 0.00 C ATOM 0 H PHE A 65 -32.680 13.506 -19.961 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.441 11.716 -22.024 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -34.565 14.177 -20.709 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -35.288 13.634 -22.210 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -33.818 11.280 -19.784 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -37.413 13.064 -21.214 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -35.135 9.614 -18.550 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -38.732 11.400 -19.978 1.00 0.00 H new ATOM 0 HZ PHE A 65 -37.595 9.673 -18.640 1.00 0.00 H new ATOM 974 N SER A 66 -32.057 14.491 -22.933 1.00 0.00 N ATOM 975 CA SER A 66 -31.572 15.263 -24.071 1.00 0.00 C ATOM 976 C SER A 66 -30.438 14.530 -24.782 1.00 0.00 C ATOM 977 O SER A 66 -30.226 14.707 -25.982 1.00 0.00 O ATOM 978 CB SER A 66 -31.095 16.642 -23.613 1.00 0.00 C ATOM 979 OG SER A 66 -31.409 17.636 -24.573 1.00 0.00 O ATOM 0 H SER A 66 -31.669 14.776 -22.034 1.00 0.00 H new ATOM 0 HA SER A 66 -32.397 15.386 -24.772 1.00 0.00 H new ATOM 0 HB2 SER A 66 -31.560 16.893 -22.660 1.00 0.00 H new ATOM 0 HB3 SER A 66 -30.018 16.621 -23.446 1.00 0.00 H new ATOM 0 HG SER A 66 -31.095 18.508 -24.255 1.00 0.00 H new ATOM 985 N LEU A 67 -29.713 13.707 -24.033 1.00 0.00 N ATOM 986 CA LEU A 67 -28.600 12.946 -24.589 1.00 0.00 C ATOM 987 C LEU A 67 -29.098 11.899 -25.580 1.00 0.00 C ATOM 988 O LEU A 67 -29.944 11.070 -25.249 1.00 0.00 O ATOM 989 CB LEU A 67 -27.808 12.270 -23.469 1.00 0.00 C ATOM 990 CG LEU A 67 -27.251 13.195 -22.387 1.00 0.00 C ATOM 991 CD1 LEU A 67 -26.554 12.389 -21.302 1.00 0.00 C ATOM 992 CD2 LEU A 67 -26.296 14.212 -22.995 1.00 0.00 C ATOM 0 H LEU A 67 -29.876 13.550 -23.039 1.00 0.00 H new ATOM 0 HA LEU A 67 -27.947 13.639 -25.119 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -28.452 11.531 -22.991 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -26.976 11.726 -23.917 1.00 0.00 H new ATOM 0 HG LEU A 67 -28.083 13.733 -21.933 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -26.164 13.065 -20.541 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -27.266 11.701 -20.846 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -25.732 11.823 -21.740 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -25.909 14.862 -22.210 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -25.468 13.691 -23.476 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -26.826 14.812 -23.735 1.00 0.00 H new ATOM 1004 N ASN A 68 -28.565 11.943 -26.797 1.00 0.00 N ATOM 1005 CA ASN A 68 -28.954 10.996 -27.836 1.00 0.00 C ATOM 1006 C ASN A 68 -28.041 9.774 -27.829 1.00 0.00 C ATOM 1007 O ASN A 68 -27.180 9.634 -26.960 1.00 0.00 O ATOM 1008 CB ASN A 68 -28.913 11.670 -29.210 1.00 0.00 C ATOM 1009 CG ASN A 68 -29.189 13.159 -29.132 1.00 0.00 C ATOM 1010 OD1 ASN A 68 -30.343 13.585 -29.078 1.00 0.00 O ATOM 1011 ND2 ASN A 68 -28.128 13.958 -29.127 1.00 0.00 N ATOM 0 H ASN A 68 -27.863 12.624 -27.088 1.00 0.00 H new ATOM 0 HA ASN A 68 -29.972 10.667 -27.630 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -27.935 11.508 -29.662 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -29.648 11.201 -29.864 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -28.251 14.969 -29.077 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -27.190 13.560 -29.173 1.00 0.00 H new ATOM 1018 N LYS A 69 -28.234 8.892 -28.804 1.00 0.00 N ATOM 1019 CA LYS A 69 -27.427 7.682 -28.912 1.00 0.00 C ATOM 1020 C LYS A 69 -25.951 8.026 -29.080 1.00 0.00 C ATOM 1021 O LYS A 69 -25.077 7.209 -28.790 1.00 0.00 O ATOM 1022 CB LYS A 69 -27.901 6.833 -30.094 1.00 0.00 C ATOM 1023 CG LYS A 69 -27.415 5.395 -30.043 1.00 0.00 C ATOM 1024 CD LYS A 69 -27.702 4.663 -31.343 1.00 0.00 C ATOM 1025 CE LYS A 69 -27.532 3.160 -31.186 1.00 0.00 C ATOM 1026 NZ LYS A 69 -26.155 2.718 -31.539 1.00 0.00 N ATOM 0 H LYS A 69 -28.942 8.992 -29.531 1.00 0.00 H new ATOM 0 HA LYS A 69 -27.547 7.112 -27.991 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -28.991 6.839 -30.121 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.557 7.291 -31.021 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -26.343 5.379 -29.844 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -27.900 4.875 -29.217 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -28.719 4.883 -31.669 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -27.032 5.027 -32.122 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -27.752 2.875 -30.157 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -28.253 2.645 -31.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -25.981 1.773 -31.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -26.057 2.682 -32.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -25.464 3.390 -31.149 1.00 0.00 H new ATOM 1040 N ASP A 70 -25.680 9.240 -29.546 1.00 0.00 N ATOM 1041 CA ASP A 70 -24.308 9.693 -29.750 1.00 0.00 C ATOM 1042 C ASP A 70 -23.708 10.208 -28.446 1.00 0.00 C ATOM 1043 O ASP A 70 -22.706 9.682 -27.962 1.00 0.00 O ATOM 1044 CB ASP A 70 -24.263 10.789 -30.815 1.00 0.00 C ATOM 1045 CG ASP A 70 -23.264 10.486 -31.915 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -23.270 9.346 -32.425 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -22.477 11.390 -32.266 1.00 0.00 O ATOM 0 H ASP A 70 -26.392 9.929 -29.790 1.00 0.00 H new ATOM 0 HA ASP A 70 -23.717 8.843 -30.091 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -25.255 10.909 -31.251 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -24.005 11.738 -30.345 1.00 0.00 H new ATOM 1052 N GLU A 71 -24.326 11.242 -27.883 1.00 0.00 N ATOM 1053 CA GLU A 71 -23.850 11.829 -26.636 1.00 0.00 C ATOM 1054 C GLU A 71 -23.668 10.758 -25.564 1.00 0.00 C ATOM 1055 O GLU A 71 -22.671 10.750 -24.841 1.00 0.00 O ATOM 1056 CB GLU A 71 -24.829 12.897 -26.143 1.00 0.00 C ATOM 1057 CG GLU A 71 -24.854 14.145 -27.009 1.00 0.00 C ATOM 1058 CD GLU A 71 -24.380 15.380 -26.266 1.00 0.00 C ATOM 1059 OE1 GLU A 71 -23.441 15.259 -25.452 1.00 0.00 O ATOM 1060 OE2 GLU A 71 -24.948 16.467 -26.500 1.00 0.00 O ATOM 0 H GLU A 71 -25.157 11.690 -28.270 1.00 0.00 H new ATOM 0 HA GLU A 71 -22.883 12.293 -26.829 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.831 12.470 -26.106 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.565 13.178 -25.123 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.224 13.988 -27.884 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -25.868 14.311 -27.372 1.00 0.00 H new ATOM 1067 N LEU A 72 -24.638 9.855 -25.468 1.00 0.00 N ATOM 1068 CA LEU A 72 -24.585 8.778 -24.485 1.00 0.00 C ATOM 1069 C LEU A 72 -23.479 7.785 -24.824 1.00 0.00 C ATOM 1070 O LEU A 72 -22.869 7.192 -23.934 1.00 0.00 O ATOM 1071 CB LEU A 72 -25.932 8.056 -24.419 1.00 0.00 C ATOM 1072 CG LEU A 72 -26.985 8.682 -23.503 1.00 0.00 C ATOM 1073 CD1 LEU A 72 -28.360 8.619 -24.149 1.00 0.00 C ATOM 1074 CD2 LEU A 72 -26.997 7.985 -22.150 1.00 0.00 C ATOM 0 H LEU A 72 -25.470 9.847 -26.058 1.00 0.00 H new ATOM 0 HA LEU A 72 -24.367 9.218 -23.512 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -26.342 8.002 -25.427 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -25.757 7.031 -24.091 1.00 0.00 H new ATOM 0 HG LEU A 72 -26.727 9.730 -23.348 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -29.096 9.069 -23.483 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -28.344 9.164 -25.093 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.627 7.579 -24.335 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -27.752 8.443 -21.511 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -27.230 6.929 -22.287 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -26.018 8.083 -21.682 1.00 0.00 H new ATOM 1086 N ARG A 73 -23.224 7.609 -26.116 1.00 0.00 N ATOM 1087 CA ARG A 73 -22.191 6.687 -26.573 1.00 0.00 C ATOM 1088 C ARG A 73 -20.800 7.253 -26.299 1.00 0.00 C ATOM 1089 O ARG A 73 -19.822 6.509 -26.208 1.00 0.00 O ATOM 1090 CB ARG A 73 -22.353 6.405 -28.067 1.00 0.00 C ATOM 1091 CG ARG A 73 -21.208 5.603 -28.664 1.00 0.00 C ATOM 1092 CD ARG A 73 -21.704 4.620 -29.713 1.00 0.00 C ATOM 1093 NE ARG A 73 -20.666 3.670 -30.106 1.00 0.00 N ATOM 1094 CZ ARG A 73 -20.760 2.878 -31.169 1.00 0.00 C ATOM 1095 NH1 ARG A 73 -21.838 2.922 -31.940 1.00 0.00 N ATOM 1096 NH2 ARG A 73 -19.774 2.040 -31.462 1.00 0.00 N ATOM 0 H ARG A 73 -23.719 8.093 -26.865 1.00 0.00 H new ATOM 0 HA ARG A 73 -22.301 5.754 -26.021 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -23.286 5.864 -28.227 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -22.438 7.352 -28.600 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -20.483 6.281 -29.113 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -20.690 5.062 -27.872 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -22.564 4.076 -29.323 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -22.045 5.168 -30.591 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.824 3.611 -29.534 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -22.598 3.565 -31.718 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -21.907 2.313 -32.755 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.943 2.003 -30.871 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.847 1.432 -32.278 1.00 0.00 H new ATOM 1110 N THR A 74 -20.718 8.573 -26.171 1.00 0.00 N ATOM 1111 CA THR A 74 -19.448 9.238 -25.910 1.00 0.00 C ATOM 1112 C THR A 74 -19.100 9.198 -24.426 1.00 0.00 C ATOM 1113 O THR A 74 -17.984 8.842 -24.049 1.00 0.00 O ATOM 1114 CB THR A 74 -19.475 10.705 -26.380 1.00 0.00 C ATOM 1115 OG1 THR A 74 -20.823 11.113 -26.635 1.00 0.00 O ATOM 1116 CG2 THR A 74 -18.638 10.886 -27.638 1.00 0.00 C ATOM 0 H THR A 74 -21.517 9.203 -26.244 1.00 0.00 H new ATOM 0 HA THR A 74 -18.687 8.697 -26.473 1.00 0.00 H new ATOM 0 HB THR A 74 -19.052 11.325 -25.589 1.00 0.00 H new ATOM 0 HG1 THR A 74 -21.290 11.250 -25.784 1.00 0.00 H new ATOM 0 HG21 THR A 74 -18.672 11.930 -27.951 1.00 0.00 H new ATOM 0 HG22 THR A 74 -17.606 10.603 -27.432 1.00 0.00 H new ATOM 0 HG23 THR A 74 -19.036 10.256 -28.433 1.00 0.00 H new ATOM 1124 N VAL A 75 -20.064 9.566 -23.588 1.00 0.00 N ATOM 1125 CA VAL A 75 -19.860 9.570 -22.144 1.00 0.00 C ATOM 1126 C VAL A 75 -19.570 8.166 -21.626 1.00 0.00 C ATOM 1127 O VAL A 75 -18.782 7.987 -20.696 1.00 0.00 O ATOM 1128 CB VAL A 75 -21.088 10.135 -21.405 1.00 0.00 C ATOM 1129 CG1 VAL A 75 -22.335 9.335 -21.753 1.00 0.00 C ATOM 1130 CG2 VAL A 75 -20.850 10.141 -19.903 1.00 0.00 C ATOM 0 H VAL A 75 -20.993 9.865 -23.884 1.00 0.00 H new ATOM 0 HA VAL A 75 -19.001 10.211 -21.948 1.00 0.00 H new ATOM 0 HB VAL A 75 -21.243 11.164 -21.729 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -23.192 9.748 -21.222 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.513 9.388 -22.827 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -22.194 8.295 -21.460 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -21.728 10.543 -19.397 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -20.668 9.123 -19.559 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.983 10.761 -19.674 1.00 0.00 H new ATOM 1140 N CYS A 76 -20.212 7.173 -22.232 1.00 0.00 N ATOM 1141 CA CYS A 76 -20.023 5.784 -21.832 1.00 0.00 C ATOM 1142 C CYS A 76 -20.151 4.850 -23.031 1.00 0.00 C ATOM 1143 O CYS A 76 -20.809 5.162 -24.025 1.00 0.00 O ATOM 1144 CB CYS A 76 -21.042 5.397 -20.759 1.00 0.00 C ATOM 1145 SG CYS A 76 -22.764 5.642 -21.254 1.00 0.00 S ATOM 0 H CYS A 76 -20.868 7.305 -23.002 1.00 0.00 H new ATOM 0 HA CYS A 76 -19.018 5.684 -21.422 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -20.896 4.349 -20.496 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -20.847 5.982 -19.860 1.00 0.00 H new ATOM 0 HG CYS A 76 -22.803 6.276 -22.388 1.00 0.00 H new ATOM 1151 N PRO A 77 -19.507 3.677 -22.940 1.00 0.00 N ATOM 1152 CA PRO A 77 -19.533 2.675 -24.009 1.00 0.00 C ATOM 1153 C PRO A 77 -20.902 2.022 -24.159 1.00 0.00 C ATOM 1154 O PRO A 77 -21.229 1.481 -25.215 1.00 0.00 O ATOM 1155 CB PRO A 77 -18.496 1.644 -23.554 1.00 0.00 C ATOM 1156 CG PRO A 77 -18.447 1.786 -22.072 1.00 0.00 C ATOM 1157 CD PRO A 77 -18.704 3.239 -21.786 1.00 0.00 C ATOM 0 HA PRO A 77 -19.319 3.114 -24.984 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -18.787 0.635 -23.846 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -17.522 1.838 -24.003 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -19.197 1.156 -21.595 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -17.477 1.477 -21.682 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -19.242 3.375 -20.848 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -17.775 3.803 -21.706 1.00 0.00 H new ATOM 1165 N GLU A 78 -21.699 2.078 -23.097 1.00 0.00 N ATOM 1166 CA GLU A 78 -23.034 1.491 -23.112 1.00 0.00 C ATOM 1167 C GLU A 78 -24.087 2.543 -23.452 1.00 0.00 C ATOM 1168 O GLU A 78 -25.252 2.413 -23.079 1.00 0.00 O ATOM 1169 CB GLU A 78 -23.351 0.856 -21.756 1.00 0.00 C ATOM 1170 CG GLU A 78 -22.380 -0.243 -21.357 1.00 0.00 C ATOM 1171 CD GLU A 78 -22.272 -1.334 -22.404 1.00 0.00 C ATOM 1172 OE1 GLU A 78 -21.622 -1.096 -23.444 1.00 0.00 O ATOM 1173 OE2 GLU A 78 -22.836 -2.426 -22.184 1.00 0.00 O ATOM 0 H GLU A 78 -21.444 2.524 -22.216 1.00 0.00 H new ATOM 0 HA GLU A 78 -23.055 0.719 -23.881 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -23.343 1.632 -20.990 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -24.360 0.445 -21.784 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -21.395 0.192 -21.188 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -22.702 -0.682 -20.412 1.00 0.00 H new ATOM 1180 N GLY A 79 -23.666 3.585 -24.162 1.00 0.00 N ATOM 1181 CA GLY A 79 -24.583 4.644 -24.540 1.00 0.00 C ATOM 1182 C GLY A 79 -25.759 4.131 -25.348 1.00 0.00 C ATOM 1183 O GLY A 79 -26.913 4.311 -24.959 1.00 0.00 O ATOM 0 H GLY A 79 -22.706 3.715 -24.482 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.952 5.139 -23.642 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -24.047 5.395 -25.121 1.00 0.00 H new ATOM 1187 N ALA A 80 -25.467 3.492 -26.476 1.00 0.00 N ATOM 1188 CA ALA A 80 -26.509 2.951 -27.339 1.00 0.00 C ATOM 1189 C ALA A 80 -27.477 2.076 -26.551 1.00 0.00 C ATOM 1190 O ALA A 80 -28.655 1.971 -26.893 1.00 0.00 O ATOM 1191 CB ALA A 80 -25.890 2.160 -28.482 1.00 0.00 C ATOM 0 H ALA A 80 -24.517 3.336 -26.813 1.00 0.00 H new ATOM 0 HA ALA A 80 -27.072 3.787 -27.753 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -26.680 1.762 -29.119 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -25.245 2.814 -29.070 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -25.300 1.337 -28.078 1.00 0.00 H new ATOM 1197 N ARG A 81 -26.972 1.447 -25.494 1.00 0.00 N ATOM 1198 CA ARG A 81 -27.792 0.579 -24.658 1.00 0.00 C ATOM 1199 C ARG A 81 -28.636 1.398 -23.686 1.00 0.00 C ATOM 1200 O ARG A 81 -29.760 1.022 -23.354 1.00 0.00 O ATOM 1201 CB ARG A 81 -26.908 -0.400 -23.882 1.00 0.00 C ATOM 1202 CG ARG A 81 -26.071 -1.303 -24.774 1.00 0.00 C ATOM 1203 CD ARG A 81 -26.861 -2.518 -25.235 1.00 0.00 C ATOM 1204 NE ARG A 81 -26.362 -3.046 -26.502 1.00 0.00 N ATOM 1205 CZ ARG A 81 -26.557 -2.451 -27.673 1.00 0.00 C ATOM 1206 NH1 ARG A 81 -27.235 -1.313 -27.738 1.00 0.00 N ATOM 1207 NH2 ARG A 81 -26.072 -2.993 -28.783 1.00 0.00 N ATOM 0 H ARG A 81 -25.999 1.523 -25.197 1.00 0.00 H new ATOM 0 HA ARG A 81 -28.462 0.017 -25.309 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.245 0.164 -23.226 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.539 -1.018 -23.243 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -25.727 -0.741 -25.642 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -25.183 -1.629 -24.233 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -26.809 -3.295 -24.473 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.911 -2.248 -25.343 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.835 -3.919 -26.487 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -27.608 -0.892 -26.887 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -27.383 -0.858 -28.639 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -25.549 -3.867 -28.737 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.222 -2.535 -29.682 1.00 0.00 H new ATOM 1221 N VAL A 82 -28.086 2.521 -23.234 1.00 0.00 N ATOM 1222 CA VAL A 82 -28.788 3.394 -22.301 1.00 0.00 C ATOM 1223 C VAL A 82 -29.874 4.195 -23.009 1.00 0.00 C ATOM 1224 O VAL A 82 -31.019 4.242 -22.559 1.00 0.00 O ATOM 1225 CB VAL A 82 -27.818 4.368 -21.605 1.00 0.00 C ATOM 1226 CG1 VAL A 82 -28.574 5.295 -20.666 1.00 0.00 C ATOM 1227 CG2 VAL A 82 -26.739 3.600 -20.856 1.00 0.00 C ATOM 0 H VAL A 82 -27.157 2.847 -23.499 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.246 2.751 -21.550 1.00 0.00 H new ATOM 0 HB VAL A 82 -27.334 4.979 -22.367 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -27.872 5.976 -20.184 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -29.305 5.870 -21.234 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.087 4.705 -19.907 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -26.063 4.303 -20.370 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.202 2.963 -20.103 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -26.178 2.983 -21.558 1.00 0.00 H new ATOM 1237 N TYR A 83 -29.508 4.824 -24.120 1.00 0.00 N ATOM 1238 CA TYR A 83 -30.451 5.626 -24.891 1.00 0.00 C ATOM 1239 C TYR A 83 -31.695 4.816 -25.242 1.00 0.00 C ATOM 1240 O TYR A 83 -32.818 5.315 -25.160 1.00 0.00 O ATOM 1241 CB TYR A 83 -29.788 6.142 -26.170 1.00 0.00 C ATOM 1242 CG TYR A 83 -30.732 6.892 -27.081 1.00 0.00 C ATOM 1243 CD1 TYR A 83 -31.126 8.192 -26.788 1.00 0.00 C ATOM 1244 CD2 TYR A 83 -31.230 6.301 -28.236 1.00 0.00 C ATOM 1245 CE1 TYR A 83 -31.990 8.881 -27.618 1.00 0.00 C ATOM 1246 CE2 TYR A 83 -32.093 6.983 -29.072 1.00 0.00 C ATOM 1247 CZ TYR A 83 -32.470 8.272 -28.759 1.00 0.00 C ATOM 1248 OH TYR A 83 -33.329 8.955 -29.589 1.00 0.00 O ATOM 0 H TYR A 83 -28.565 4.794 -24.507 1.00 0.00 H new ATOM 0 HA TYR A 83 -30.753 6.475 -24.278 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -28.959 6.797 -25.901 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -29.364 5.299 -26.715 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -30.751 8.672 -25.896 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -30.937 5.291 -28.484 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -32.288 9.890 -27.375 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -32.470 6.509 -29.966 1.00 0.00 H new ATOM 0 HH TYR A 83 -33.572 8.385 -30.348 1.00 0.00 H new ATOM 1258 N SER A 84 -31.487 3.562 -25.631 1.00 0.00 N ATOM 1259 CA SER A 84 -32.591 2.683 -25.997 1.00 0.00 C ATOM 1260 C SER A 84 -33.544 2.488 -24.822 1.00 0.00 C ATOM 1261 O SER A 84 -34.716 2.162 -25.007 1.00 0.00 O ATOM 1262 CB SER A 84 -32.057 1.327 -26.465 1.00 0.00 C ATOM 1263 OG SER A 84 -31.294 1.462 -27.652 1.00 0.00 O ATOM 0 H SER A 84 -30.565 3.132 -25.701 1.00 0.00 H new ATOM 0 HA SER A 84 -33.140 3.152 -26.814 1.00 0.00 H new ATOM 0 HB2 SER A 84 -31.442 0.885 -25.682 1.00 0.00 H new ATOM 0 HB3 SER A 84 -32.889 0.645 -26.639 1.00 0.00 H new ATOM 0 HG SER A 84 -30.356 1.628 -27.421 1.00 0.00 H new ATOM 1269 N GLN A 85 -33.031 2.691 -23.613 1.00 0.00 N ATOM 1270 CA GLN A 85 -33.835 2.538 -22.406 1.00 0.00 C ATOM 1271 C GLN A 85 -34.512 3.853 -22.032 1.00 0.00 C ATOM 1272 O GLN A 85 -35.524 3.863 -21.332 1.00 0.00 O ATOM 1273 CB GLN A 85 -32.965 2.050 -21.246 1.00 0.00 C ATOM 1274 CG GLN A 85 -32.825 0.538 -21.185 1.00 0.00 C ATOM 1275 CD GLN A 85 -34.164 -0.171 -21.133 1.00 0.00 C ATOM 1276 OE1 GLN A 85 -34.385 -1.156 -21.839 1.00 0.00 O ATOM 1277 NE2 GLN A 85 -35.065 0.327 -20.295 1.00 0.00 N ATOM 0 H GLN A 85 -32.062 2.962 -23.443 1.00 0.00 H new ATOM 0 HA GLN A 85 -34.609 1.797 -22.607 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -31.974 2.495 -21.334 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -33.392 2.405 -20.308 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -32.269 0.193 -22.057 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -32.240 0.266 -20.306 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -34.838 1.145 -19.729 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -35.984 -0.108 -20.217 1.00 0.00 H new ATOM 1286 N ILE A 86 -33.946 4.959 -22.504 1.00 0.00 N ATOM 1287 CA ILE A 86 -34.495 6.278 -22.219 1.00 0.00 C ATOM 1288 C ILE A 86 -35.549 6.669 -23.249 1.00 0.00 C ATOM 1289 O ILE A 86 -36.476 7.423 -22.952 1.00 0.00 O ATOM 1290 CB ILE A 86 -33.393 7.354 -22.196 1.00 0.00 C ATOM 1291 CG1 ILE A 86 -32.328 7.002 -21.155 1.00 0.00 C ATOM 1292 CG2 ILE A 86 -33.994 8.721 -21.906 1.00 0.00 C ATOM 1293 CD1 ILE A 86 -31.013 7.716 -21.372 1.00 0.00 C ATOM 0 H ILE A 86 -33.108 4.967 -23.085 1.00 0.00 H new ATOM 0 HA ILE A 86 -34.957 6.221 -21.233 1.00 0.00 H new ATOM 0 HB ILE A 86 -32.918 7.388 -23.177 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -32.706 7.248 -20.163 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -32.155 5.926 -21.173 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -33.203 9.471 -21.893 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -34.719 8.972 -22.681 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -34.491 8.701 -20.936 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -30.306 7.419 -20.598 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -30.612 7.451 -22.351 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -31.172 8.793 -21.324 1.00 0.00 H new ATOM 1305 N THR A 87 -35.404 6.148 -24.464 1.00 0.00 N ATOM 1306 CA THR A 87 -36.343 6.441 -25.539 1.00 0.00 C ATOM 1307 C THR A 87 -37.760 6.027 -25.159 1.00 0.00 C ATOM 1308 O THR A 87 -38.733 6.659 -25.569 1.00 0.00 O ATOM 1309 CB THR A 87 -35.944 5.726 -26.844 1.00 0.00 C ATOM 1310 OG1 THR A 87 -36.816 6.126 -27.907 1.00 0.00 O ATOM 1311 CG2 THR A 87 -36.003 4.216 -26.673 1.00 0.00 C ATOM 0 H THR A 87 -34.644 5.521 -24.728 1.00 0.00 H new ATOM 0 HA THR A 87 -36.313 7.519 -25.700 1.00 0.00 H new ATOM 0 HB THR A 87 -34.920 6.008 -27.089 1.00 0.00 H new ATOM 0 HG1 THR A 87 -36.555 5.669 -28.734 1.00 0.00 H new ATOM 0 HG21 THR A 87 -35.717 3.733 -27.607 1.00 0.00 H new ATOM 0 HG22 THR A 87 -35.317 3.912 -25.883 1.00 0.00 H new ATOM 0 HG23 THR A 87 -37.017 3.919 -26.406 1.00 0.00 H new ATOM 1319 N VAL A 88 -37.869 4.962 -24.371 1.00 0.00 N ATOM 1320 CA VAL A 88 -39.168 4.464 -23.934 1.00 0.00 C ATOM 1321 C VAL A 88 -39.760 5.354 -22.847 1.00 0.00 C ATOM 1322 O VAL A 88 -40.974 5.385 -22.651 1.00 0.00 O ATOM 1323 CB VAL A 88 -39.067 3.022 -23.402 1.00 0.00 C ATOM 1324 CG1 VAL A 88 -38.139 2.961 -22.199 1.00 0.00 C ATOM 1325 CG2 VAL A 88 -40.446 2.486 -23.051 1.00 0.00 C ATOM 0 H VAL A 88 -37.073 4.427 -24.022 1.00 0.00 H new ATOM 0 HA VAL A 88 -39.821 4.476 -24.806 1.00 0.00 H new ATOM 0 HB VAL A 88 -38.647 2.392 -24.186 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -38.080 1.935 -21.837 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -37.145 3.301 -22.489 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -38.526 3.603 -21.408 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -40.356 1.466 -22.677 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -40.897 3.115 -22.284 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -41.076 2.492 -23.941 1.00 0.00 H new ATOM 1335 N GLN A 89 -38.893 6.077 -22.145 1.00 0.00 N ATOM 1336 CA GLN A 89 -39.331 6.969 -21.077 1.00 0.00 C ATOM 1337 C GLN A 89 -39.944 8.243 -21.649 1.00 0.00 C ATOM 1338 O GLN A 89 -41.008 8.683 -21.212 1.00 0.00 O ATOM 1339 CB GLN A 89 -38.156 7.320 -20.163 1.00 0.00 C ATOM 1340 CG GLN A 89 -37.443 6.103 -19.595 1.00 0.00 C ATOM 1341 CD GLN A 89 -38.404 5.047 -19.087 1.00 0.00 C ATOM 1342 OE1 GLN A 89 -38.284 3.869 -19.424 1.00 0.00 O ATOM 1343 NE2 GLN A 89 -39.366 5.464 -18.272 1.00 0.00 N ATOM 0 H GLN A 89 -37.884 6.063 -22.296 1.00 0.00 H new ATOM 0 HA GLN A 89 -40.093 6.451 -20.495 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -37.440 7.923 -20.721 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -38.518 7.936 -19.340 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -36.806 5.668 -20.365 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -36.790 6.417 -18.780 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -39.428 6.450 -18.019 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -40.043 4.798 -17.899 1.00 0.00 H new ATOM 1352 N LYS A 90 -39.267 8.831 -22.629 1.00 0.00 N ATOM 1353 CA LYS A 90 -39.744 10.054 -23.263 1.00 0.00 C ATOM 1354 C LYS A 90 -41.044 9.803 -24.021 1.00 0.00 C ATOM 1355 O LYS A 90 -41.969 10.613 -23.970 1.00 0.00 O ATOM 1356 CB LYS A 90 -38.683 10.606 -24.218 1.00 0.00 C ATOM 1357 CG LYS A 90 -37.418 11.072 -23.518 1.00 0.00 C ATOM 1358 CD LYS A 90 -36.181 10.782 -24.351 1.00 0.00 C ATOM 1359 CE LYS A 90 -36.091 11.707 -25.555 1.00 0.00 C ATOM 1360 NZ LYS A 90 -36.920 11.220 -26.692 1.00 0.00 N ATOM 0 H LYS A 90 -38.385 8.480 -23.002 1.00 0.00 H new ATOM 0 HA LYS A 90 -39.936 10.788 -22.480 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -38.424 9.836 -24.944 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -39.108 11.440 -24.776 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -37.483 12.142 -23.322 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -37.332 10.575 -22.552 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -35.290 10.898 -23.734 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -36.202 9.746 -24.688 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -36.417 12.707 -25.270 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -35.052 11.790 -25.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.515 11.561 -27.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -36.933 10.180 -26.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -37.891 11.579 -26.592 1.00 0.00 H new