USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 743 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 63 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= -0.0414 USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -77:sc= 0.197 USER MOD Single : A 26 ASN : amide:sc= -0.632 K(o=-0.63,f=-3!) USER MOD Single : A 31 MET CE :methyl -139:sc= -0.114 (180deg=-0.675) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 150:sc= 0 (180deg=-0.438) USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.43! C(o=-1.4!,f=-3.1!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.119 F(o=-1,f=-0.12) USER MOD Single : A 57 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.105) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -120:sc= -1.15 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -110:sc= -1.18 USER MOD Single : A 71 SER OG : rot 105:sc= 0.355 USER MOD Single : A 74 THR OG1 : rot 16:sc= -1.81 USER MOD Single : A 78 LYS NZ :NH3+ 140:sc= -0.667 (180deg=-1.31) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -18:sc= 0.28 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -2.03 K(o=-2,f=-13!) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0252 USER MOD Single : A 92 GLN : amide:sc= -0.099 X(o=-0.099,f=-0.12) USER MOD Single : A 103 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.116) USER MOD Single : A 105 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.019) USER MOD Single : A 106 CYS SG : rot 180:sc= -0.095 USER MOD Single : A 107 SER OG : rot -148:sc= 0.92 USER MOD Single : A 115 LYS NZ :NH3+ -155:sc= 0.026 (180deg=0) USER MOD Single : A 121 TYR OH : rot -46:sc= 1.27 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 9.526 -9.059 -17.052 1.00 0.00 N ATOM 375 CA ASP A 24 8.818 -10.304 -16.640 1.00 0.00 C ATOM 376 C ASP A 24 7.393 -10.288 -17.198 1.00 0.00 C ATOM 377 O ASP A 24 6.855 -9.247 -17.520 1.00 0.00 O ATOM 378 CB ASP A 24 8.767 -10.382 -15.113 1.00 0.00 C ATOM 379 CG ASP A 24 8.772 -11.847 -14.674 1.00 0.00 C ATOM 380 OD1 ASP A 24 8.198 -12.659 -15.381 1.00 0.00 O ATOM 381 OD2 ASP A 24 9.352 -12.133 -13.639 1.00 0.00 O ATOM 0 HA ASP A 24 9.352 -11.171 -17.029 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.622 -9.860 -14.683 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.871 -9.884 -14.743 1.00 0.00 H new ATOM 386 N SER A 25 6.778 -11.433 -17.315 1.00 0.00 N ATOM 387 CA SER A 25 5.389 -11.480 -17.852 1.00 0.00 C ATOM 388 C SER A 25 4.393 -11.333 -16.701 1.00 0.00 C ATOM 389 O SER A 25 3.212 -11.573 -16.854 1.00 0.00 O ATOM 390 CB SER A 25 5.159 -12.817 -18.557 1.00 0.00 C ATOM 391 OG SER A 25 6.378 -13.254 -19.144 1.00 0.00 O ATOM 0 H SER A 25 7.177 -12.337 -17.062 1.00 0.00 H new ATOM 0 HA SER A 25 5.247 -10.666 -18.563 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.798 -13.559 -17.845 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.391 -12.710 -19.323 1.00 0.00 H new ATOM 0 HG SER A 25 6.547 -12.744 -19.964 1.00 0.00 H new ATOM 397 N ASN A 26 4.859 -10.938 -15.548 1.00 0.00 N ATOM 398 CA ASN A 26 3.938 -10.773 -14.388 1.00 0.00 C ATOM 399 C ASN A 26 3.764 -9.284 -14.083 1.00 0.00 C ATOM 400 O ASN A 26 3.319 -8.906 -13.018 1.00 0.00 O ATOM 401 CB ASN A 26 4.526 -11.478 -13.164 1.00 0.00 C ATOM 402 CG ASN A 26 5.221 -12.769 -13.602 1.00 0.00 C ATOM 403 OD1 ASN A 26 4.850 -13.365 -14.594 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.219 -13.229 -12.899 1.00 0.00 N ATOM 0 H ASN A 26 5.838 -10.722 -15.359 1.00 0.00 H new ATOM 0 HA ASN A 26 2.969 -11.211 -14.629 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.237 -10.823 -12.661 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.737 -11.703 -12.447 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.688 -14.089 -13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.530 -12.728 -12.067 1.00 0.00 H new ATOM 411 N VAL A 27 4.114 -8.434 -15.011 1.00 0.00 N ATOM 412 CA VAL A 27 3.970 -6.971 -14.772 1.00 0.00 C ATOM 413 C VAL A 27 3.661 -6.266 -16.094 1.00 0.00 C ATOM 414 O VAL A 27 4.458 -6.273 -17.012 1.00 0.00 O ATOM 415 CB VAL A 27 5.272 -6.416 -14.193 1.00 0.00 C ATOM 416 CG1 VAL A 27 5.203 -4.888 -14.157 1.00 0.00 C ATOM 417 CG2 VAL A 27 5.467 -6.951 -12.773 1.00 0.00 C ATOM 0 H VAL A 27 4.493 -8.690 -15.923 1.00 0.00 H new ATOM 0 HA VAL A 27 3.156 -6.798 -14.068 1.00 0.00 H new ATOM 0 HB VAL A 27 6.110 -6.728 -14.817 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.131 -4.492 -13.744 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.063 -4.506 -15.168 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.366 -4.576 -13.533 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.395 -6.556 -12.360 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.630 -6.639 -12.149 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.515 -8.040 -12.798 1.00 0.00 H new ATOM 427 N GLY A 28 2.514 -5.654 -16.199 1.00 0.00 N ATOM 428 CA GLY A 28 2.158 -4.946 -17.460 1.00 0.00 C ATOM 429 C GLY A 28 2.653 -3.502 -17.389 1.00 0.00 C ATOM 430 O GLY A 28 2.571 -2.858 -16.362 1.00 0.00 O ATOM 0 H GLY A 28 1.807 -5.614 -15.465 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.606 -5.454 -18.314 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.078 -4.965 -17.608 1.00 0.00 H new ATOM 434 N THR A 29 3.168 -2.985 -18.471 1.00 0.00 N ATOM 435 CA THR A 29 3.667 -1.581 -18.461 1.00 0.00 C ATOM 436 C THR A 29 2.894 -0.759 -19.494 1.00 0.00 C ATOM 437 O THR A 29 2.900 -1.061 -20.671 1.00 0.00 O ATOM 438 CB THR A 29 5.158 -1.566 -18.805 1.00 0.00 C ATOM 439 OG1 THR A 29 5.893 -2.151 -17.738 1.00 0.00 O ATOM 440 CG2 THR A 29 5.622 -0.124 -19.016 1.00 0.00 C ATOM 0 H THR A 29 3.265 -3.474 -19.361 1.00 0.00 H new ATOM 0 HA THR A 29 3.520 -1.150 -17.471 1.00 0.00 H new ATOM 0 HB THR A 29 5.326 -2.135 -19.719 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.848 -2.144 -17.957 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.684 -0.116 -19.261 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.058 0.324 -19.834 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.455 0.449 -18.104 1.00 0.00 H new ATOM 448 N GLY A 30 2.226 0.276 -19.065 1.00 0.00 N ATOM 449 CA GLY A 30 1.452 1.112 -20.025 1.00 0.00 C ATOM 450 C GLY A 30 1.643 2.592 -19.692 1.00 0.00 C ATOM 451 O GLY A 30 1.539 3.003 -18.553 1.00 0.00 O ATOM 0 H GLY A 30 2.183 0.579 -18.092 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.783 0.913 -21.044 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.394 0.852 -19.977 1.00 0.00 H new ATOM 455 N MET A 31 1.919 3.398 -20.680 1.00 0.00 N ATOM 456 CA MET A 31 2.113 4.853 -20.427 1.00 0.00 C ATOM 457 C MET A 31 1.375 5.655 -21.500 1.00 0.00 C ATOM 458 O MET A 31 1.498 5.390 -22.679 1.00 0.00 O ATOM 459 CB MET A 31 3.605 5.186 -20.478 1.00 0.00 C ATOM 460 CG MET A 31 3.798 6.691 -20.277 1.00 0.00 C ATOM 461 SD MET A 31 4.096 7.482 -21.877 1.00 0.00 S ATOM 462 CE MET A 31 5.767 6.839 -22.141 1.00 0.00 C ATOM 0 H MET A 31 2.019 3.111 -21.654 1.00 0.00 H new ATOM 0 HA MET A 31 1.719 5.108 -19.443 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.139 4.633 -19.705 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.025 4.879 -21.436 1.00 0.00 H new ATOM 0 HG2 MET A 31 2.915 7.122 -19.806 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.638 6.874 -19.607 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.398 7.625 -22.557 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.183 6.505 -21.190 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.728 5.999 -22.835 1.00 0.00 H new ATOM 472 N VAL A 32 0.607 6.632 -21.103 1.00 0.00 N ATOM 473 CA VAL A 32 -0.138 7.445 -22.105 1.00 0.00 C ATOM 474 C VAL A 32 0.015 8.931 -21.773 1.00 0.00 C ATOM 475 O VAL A 32 0.748 9.307 -20.880 1.00 0.00 O ATOM 476 CB VAL A 32 -1.618 7.066 -22.069 1.00 0.00 C ATOM 477 CG1 VAL A 32 -1.794 5.639 -22.590 1.00 0.00 C ATOM 478 CG2 VAL A 32 -2.130 7.149 -20.629 1.00 0.00 C ATOM 0 H VAL A 32 0.463 6.902 -20.130 1.00 0.00 H new ATOM 0 HA VAL A 32 0.263 7.252 -23.100 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.184 7.754 -22.698 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.850 5.370 -22.564 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.429 5.578 -23.615 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.228 4.950 -21.963 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.186 6.879 -20.602 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.563 6.461 -20.001 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.006 8.166 -20.257 1.00 0.00 H new ATOM 488 N GLY A 33 -0.673 9.780 -22.486 1.00 0.00 N ATOM 489 CA GLY A 33 -0.570 11.240 -22.214 1.00 0.00 C ATOM 490 C GLY A 33 -1.504 12.003 -23.154 1.00 0.00 C ATOM 491 O GLY A 33 -2.328 11.420 -23.832 1.00 0.00 O ATOM 0 H GLY A 33 -1.303 9.524 -23.246 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.833 11.447 -21.177 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.458 11.575 -22.355 1.00 0.00 H new ATOM 495 N ALA A 34 -1.383 13.300 -23.203 1.00 0.00 N ATOM 496 CA ALA A 34 -2.265 14.098 -24.101 1.00 0.00 C ATOM 497 C ALA A 34 -1.449 15.222 -24.750 1.00 0.00 C ATOM 498 O ALA A 34 -1.197 16.242 -24.138 1.00 0.00 O ATOM 499 CB ALA A 34 -3.405 14.706 -23.282 1.00 0.00 C ATOM 0 H ALA A 34 -0.711 13.843 -22.660 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.676 13.452 -24.877 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.052 15.290 -23.936 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.985 13.908 -22.817 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.992 15.353 -22.508 1.00 0.00 H new ATOM 505 N PRO A 35 -1.039 15.040 -25.980 1.00 0.00 N ATOM 506 CA PRO A 35 -0.239 16.059 -26.717 1.00 0.00 C ATOM 507 C PRO A 35 -0.833 17.465 -26.586 1.00 0.00 C ATOM 508 O PRO A 35 -0.202 18.372 -26.083 1.00 0.00 O ATOM 509 CB PRO A 35 -0.297 15.586 -28.170 1.00 0.00 C ATOM 510 CG PRO A 35 -0.515 14.111 -28.094 1.00 0.00 C ATOM 511 CD PRO A 35 -1.293 13.846 -26.803 1.00 0.00 C ATOM 0 HA PRO A 35 0.776 16.138 -26.327 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.106 16.076 -28.711 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.628 15.821 -28.698 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.073 13.757 -28.961 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.436 13.579 -28.088 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.357 13.716 -26.999 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.946 12.939 -26.308 1.00 0.00 H new ATOM 519 N ALA A 36 -2.044 17.650 -27.036 1.00 0.00 N ATOM 520 CA ALA A 36 -2.677 18.996 -26.934 1.00 0.00 C ATOM 521 C ALA A 36 -2.338 19.616 -25.578 1.00 0.00 C ATOM 522 O ALA A 36 -2.411 20.815 -25.396 1.00 0.00 O ATOM 523 CB ALA A 36 -4.195 18.855 -27.063 1.00 0.00 C ATOM 0 H ALA A 36 -2.621 16.929 -27.469 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.301 19.637 -27.732 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.659 19.838 -26.989 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.438 18.411 -28.028 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.570 18.215 -26.264 1.00 0.00 H new ATOM 529 N CYS A 37 -1.966 18.806 -24.624 1.00 0.00 N ATOM 530 CA CYS A 37 -1.622 19.347 -23.279 1.00 0.00 C ATOM 531 C CYS A 37 -0.163 19.015 -22.957 1.00 0.00 C ATOM 532 O CYS A 37 0.520 19.762 -22.285 1.00 0.00 O ATOM 533 CB CYS A 37 -2.536 18.715 -22.227 1.00 0.00 C ATOM 534 SG CYS A 37 -4.208 18.554 -22.900 1.00 0.00 S ATOM 0 H CYS A 37 -1.886 17.794 -24.718 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.758 20.428 -23.274 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.153 17.736 -21.938 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.552 19.330 -21.327 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.985 18.015 -22.008 1.00 0.00 H new ATOM 540 N GLY A 38 0.320 17.900 -23.433 1.00 0.00 N ATOM 541 CA GLY A 38 1.734 17.521 -23.155 1.00 0.00 C ATOM 542 C GLY A 38 1.836 16.897 -21.762 1.00 0.00 C ATOM 543 O GLY A 38 2.874 16.934 -21.131 1.00 0.00 O ATOM 0 H GLY A 38 -0.204 17.235 -24.002 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.086 16.815 -23.907 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.375 18.400 -23.218 1.00 0.00 H new ATOM 547 N ASP A 39 0.769 16.325 -21.278 1.00 0.00 N ATOM 548 CA ASP A 39 0.809 15.701 -19.926 1.00 0.00 C ATOM 549 C ASP A 39 1.208 14.229 -20.056 1.00 0.00 C ATOM 550 O ASP A 39 0.677 13.502 -20.874 1.00 0.00 O ATOM 551 CB ASP A 39 -0.573 15.801 -19.275 1.00 0.00 C ATOM 552 CG ASP A 39 -1.227 17.126 -19.668 1.00 0.00 C ATOM 553 OD1 ASP A 39 -0.503 18.094 -19.841 1.00 0.00 O ATOM 554 OD2 ASP A 39 -2.440 17.153 -19.789 1.00 0.00 O ATOM 0 H ASP A 39 -0.128 16.263 -21.759 1.00 0.00 H new ATOM 0 HA ASP A 39 1.539 16.222 -19.307 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.198 14.966 -19.593 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.482 15.736 -18.191 1.00 0.00 H new ATOM 559 N VAL A 40 2.138 13.785 -19.258 1.00 0.00 N ATOM 560 CA VAL A 40 2.572 12.362 -19.338 1.00 0.00 C ATOM 561 C VAL A 40 2.043 11.598 -18.120 1.00 0.00 C ATOM 562 O VAL A 40 2.418 11.868 -16.997 1.00 0.00 O ATOM 563 CB VAL A 40 4.099 12.295 -19.356 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.549 10.837 -19.244 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.619 12.890 -20.667 1.00 0.00 C ATOM 0 H VAL A 40 2.617 14.346 -18.553 1.00 0.00 H new ATOM 0 HA VAL A 40 2.177 11.913 -20.249 1.00 0.00 H new ATOM 0 HB VAL A 40 4.497 12.862 -18.515 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.638 10.790 -19.257 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.179 10.413 -18.311 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.151 10.268 -20.084 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.708 12.843 -20.681 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.220 12.322 -21.508 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.300 13.929 -20.747 1.00 0.00 H new ATOM 575 N MET A 41 1.177 10.646 -18.335 1.00 0.00 N ATOM 576 CA MET A 41 0.629 9.867 -17.190 1.00 0.00 C ATOM 577 C MET A 41 1.103 8.415 -17.290 1.00 0.00 C ATOM 578 O MET A 41 0.588 7.635 -18.065 1.00 0.00 O ATOM 579 CB MET A 41 -0.900 9.907 -17.229 1.00 0.00 C ATOM 580 CG MET A 41 -1.464 8.774 -16.368 1.00 0.00 C ATOM 581 SD MET A 41 -3.246 9.007 -16.156 1.00 0.00 S ATOM 582 CE MET A 41 -3.505 7.688 -14.944 1.00 0.00 C ATOM 0 H MET A 41 0.826 10.374 -19.253 1.00 0.00 H new ATOM 0 HA MET A 41 0.979 10.302 -16.254 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.258 10.869 -16.863 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.251 9.806 -18.256 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.266 7.811 -16.839 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.970 8.761 -15.396 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.335 7.953 -14.290 1.00 0.00 H new ATOM 0 HE2 MET A 41 -3.735 6.757 -15.463 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.601 7.558 -14.349 1.00 0.00 H new ATOM 592 N GLN A 42 2.085 8.047 -16.511 1.00 0.00 N ATOM 593 CA GLN A 42 2.593 6.647 -16.564 1.00 0.00 C ATOM 594 C GLN A 42 1.736 5.758 -15.661 1.00 0.00 C ATOM 595 O GLN A 42 1.124 6.219 -14.718 1.00 0.00 O ATOM 596 CB GLN A 42 4.045 6.611 -16.083 1.00 0.00 C ATOM 597 CG GLN A 42 4.575 5.179 -16.164 1.00 0.00 C ATOM 598 CD GLN A 42 6.067 5.166 -15.828 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.653 6.277 -15.474 1.00 0.00 O flip ATOM 600 NE2 GLN A 42 6.707 4.135 -15.889 1.00 0.00 N flip ATOM 0 H GLN A 42 2.556 8.655 -15.841 1.00 0.00 H new ATOM 0 HA GLN A 42 2.541 6.282 -17.590 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.658 7.272 -16.695 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.109 6.976 -15.058 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.030 4.539 -15.471 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.413 4.776 -17.164 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.249 3.266 -16.166 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.702 4.138 -15.664 1.00 0.00 H new ATOM 609 N LEU A 43 1.689 4.484 -15.941 1.00 0.00 N ATOM 610 CA LEU A 43 0.875 3.565 -15.098 1.00 0.00 C ATOM 611 C LEU A 43 1.390 2.133 -15.255 1.00 0.00 C ATOM 612 O LEU A 43 1.250 1.524 -16.297 1.00 0.00 O ATOM 613 CB LEU A 43 -0.590 3.629 -15.538 1.00 0.00 C ATOM 614 CG LEU A 43 -1.487 3.143 -14.399 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.190 4.340 -13.754 1.00 0.00 C ATOM 616 CD2 LEU A 43 -2.535 2.175 -14.953 1.00 0.00 C ATOM 0 H LEU A 43 2.180 4.040 -16.718 1.00 0.00 H new ATOM 0 HA LEU A 43 0.955 3.868 -14.054 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.854 4.650 -15.812 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.742 3.012 -16.423 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.879 2.633 -13.651 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.829 3.993 -12.942 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.445 5.030 -13.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.798 4.851 -14.501 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.175 1.828 -14.142 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.142 2.685 -15.701 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.036 1.321 -15.411 1.00 0.00 H new ATOM 628 N GLN A 44 1.986 1.590 -14.229 1.00 0.00 N ATOM 629 CA GLN A 44 2.508 0.198 -14.322 1.00 0.00 C ATOM 630 C GLN A 44 1.740 -0.699 -13.349 1.00 0.00 C ATOM 631 O GLN A 44 1.685 -0.441 -12.162 1.00 0.00 O ATOM 632 CB GLN A 44 3.996 0.183 -13.964 1.00 0.00 C ATOM 633 CG GLN A 44 4.565 -1.216 -14.202 1.00 0.00 C ATOM 634 CD GLN A 44 6.089 -1.176 -14.082 1.00 0.00 C ATOM 635 OE1 GLN A 44 6.755 -2.165 -14.315 1.00 0.00 O ATOM 636 NE2 GLN A 44 6.674 -0.066 -13.723 1.00 0.00 N ATOM 0 H GLN A 44 2.134 2.050 -13.331 1.00 0.00 H new ATOM 0 HA GLN A 44 2.377 -0.171 -15.339 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.534 0.913 -14.569 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.133 0.470 -12.921 1.00 0.00 H new ATOM 0 HG2 GLN A 44 4.151 -1.916 -13.477 1.00 0.00 H new ATOM 0 HG3 GLN A 44 4.277 -1.574 -15.191 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.115 0.765 -13.527 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.690 -0.029 -13.638 1.00 0.00 H new ATOM 645 N ILE A 45 1.144 -1.749 -13.842 1.00 0.00 N ATOM 646 CA ILE A 45 0.378 -2.660 -12.947 1.00 0.00 C ATOM 647 C ILE A 45 1.192 -3.932 -12.695 1.00 0.00 C ATOM 648 O ILE A 45 2.013 -4.324 -13.501 1.00 0.00 O ATOM 649 CB ILE A 45 -0.949 -3.026 -13.613 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.740 -3.157 -15.123 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.979 -1.929 -13.335 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.516 -4.368 -15.645 1.00 0.00 C ATOM 0 H ILE A 45 1.154 -2.015 -14.827 1.00 0.00 H new ATOM 0 HA ILE A 45 0.184 -2.161 -11.998 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.309 -3.973 -13.211 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.077 -2.251 -15.627 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.321 -3.269 -15.345 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.925 -2.189 -13.810 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.127 -1.833 -12.259 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.620 -0.982 -13.738 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.366 -4.460 -16.721 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.158 -5.271 -15.150 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.578 -4.237 -15.436 1.00 0.00 H new ATOM 664 N LYS A 46 0.976 -4.577 -11.582 1.00 0.00 N ATOM 665 CA LYS A 46 1.742 -5.820 -11.282 1.00 0.00 C ATOM 666 C LYS A 46 0.771 -6.961 -10.970 1.00 0.00 C ATOM 667 O LYS A 46 -0.173 -6.800 -10.223 1.00 0.00 O ATOM 668 CB LYS A 46 2.648 -5.580 -10.072 1.00 0.00 C ATOM 669 CG LYS A 46 3.536 -4.361 -10.332 1.00 0.00 C ATOM 670 CD LYS A 46 4.865 -4.530 -9.592 1.00 0.00 C ATOM 671 CE LYS A 46 5.614 -3.197 -9.576 1.00 0.00 C ATOM 672 NZ LYS A 46 7.081 -3.450 -9.654 1.00 0.00 N ATOM 0 H LYS A 46 0.303 -4.298 -10.868 1.00 0.00 H new ATOM 0 HA LYS A 46 2.349 -6.087 -12.147 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.044 -5.419 -9.179 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.265 -6.459 -9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.715 -4.250 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.034 -3.454 -9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.685 -4.870 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.471 -5.294 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.296 -2.579 -10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.377 -2.646 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.591 -2.544 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.378 -4.024 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.299 -3.959 -10.534 1.00 0.00 H new ATOM 686 N VAL A 47 0.999 -8.115 -11.536 1.00 0.00 N ATOM 687 CA VAL A 47 0.095 -9.269 -11.271 1.00 0.00 C ATOM 688 C VAL A 47 0.933 -10.479 -10.853 1.00 0.00 C ATOM 689 O VAL A 47 2.054 -10.649 -11.289 1.00 0.00 O ATOM 690 CB VAL A 47 -0.690 -9.604 -12.541 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.911 -10.450 -12.178 1.00 0.00 C ATOM 692 CG2 VAL A 47 -1.150 -8.308 -13.212 1.00 0.00 C ATOM 0 H VAL A 47 1.773 -8.308 -12.171 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.602 -9.014 -10.473 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.052 -10.162 -13.226 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.470 -10.689 -13.083 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.585 -11.373 -11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.550 -9.892 -11.493 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.709 -8.545 -14.117 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.788 -7.750 -12.527 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.280 -7.704 -13.471 1.00 0.00 H new ATOM 702 N ASP A 48 0.403 -11.324 -10.011 1.00 0.00 N ATOM 703 CA ASP A 48 1.178 -12.518 -9.570 1.00 0.00 C ATOM 704 C ASP A 48 1.239 -13.540 -10.708 1.00 0.00 C ATOM 705 O ASP A 48 2.094 -13.474 -11.568 1.00 0.00 O ATOM 706 CB ASP A 48 0.504 -13.148 -8.350 1.00 0.00 C ATOM 707 CG ASP A 48 1.292 -12.787 -7.090 1.00 0.00 C ATOM 708 OD1 ASP A 48 2.023 -11.811 -7.130 1.00 0.00 O ATOM 709 OD2 ASP A 48 1.153 -13.495 -6.105 1.00 0.00 O ATOM 0 H ASP A 48 -0.531 -11.239 -9.610 1.00 0.00 H new ATOM 0 HA ASP A 48 2.190 -12.212 -9.304 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.523 -12.792 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.458 -14.231 -8.465 1.00 0.00 H new ATOM 714 N ASP A 49 0.339 -14.485 -10.720 1.00 0.00 N ATOM 715 CA ASP A 49 0.350 -15.508 -11.803 1.00 0.00 C ATOM 716 C ASP A 49 -1.049 -16.106 -11.953 1.00 0.00 C ATOM 717 O ASP A 49 -1.219 -17.186 -12.484 1.00 0.00 O ATOM 718 CB ASP A 49 1.346 -16.615 -11.450 1.00 0.00 C ATOM 719 CG ASP A 49 1.542 -16.662 -9.934 1.00 0.00 C ATOM 720 OD1 ASP A 49 0.560 -16.511 -9.224 1.00 0.00 O ATOM 721 OD2 ASP A 49 2.670 -16.848 -9.507 1.00 0.00 O ATOM 0 H ASP A 49 -0.402 -14.593 -10.028 1.00 0.00 H new ATOM 0 HA ASP A 49 0.647 -15.041 -12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.980 -17.576 -11.810 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.300 -16.432 -11.945 1.00 0.00 H new ATOM 726 N ASN A 50 -2.053 -15.415 -11.489 1.00 0.00 N ATOM 727 CA ASN A 50 -3.440 -15.947 -11.604 1.00 0.00 C ATOM 728 C ASN A 50 -4.365 -14.849 -12.136 1.00 0.00 C ATOM 729 O ASN A 50 -5.545 -15.061 -12.334 1.00 0.00 O ATOM 730 CB ASN A 50 -3.926 -16.406 -10.226 1.00 0.00 C ATOM 731 CG ASN A 50 -2.798 -16.237 -9.206 1.00 0.00 C ATOM 732 OD1 ASN A 50 -2.444 -15.037 -8.835 1.00 0.00 O flip ATOM 733 ND2 ASN A 50 -2.234 -17.207 -8.741 1.00 0.00 N flip ATOM 0 H ASN A 50 -1.973 -14.505 -11.035 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.450 -16.793 -12.291 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.796 -15.823 -9.922 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.240 -17.449 -10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.510 -18.145 -9.031 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.484 -17.083 -8.061 1.00 0.00 H new ATOM 740 N GLY A 51 -3.839 -13.679 -12.370 1.00 0.00 N ATOM 741 CA GLY A 51 -4.689 -12.570 -12.889 1.00 0.00 C ATOM 742 C GLY A 51 -5.073 -11.638 -11.739 1.00 0.00 C ATOM 743 O GLY A 51 -5.967 -10.825 -11.858 1.00 0.00 O ATOM 0 H GLY A 51 -2.858 -13.442 -12.224 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.151 -12.014 -13.657 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.586 -12.974 -13.358 1.00 0.00 H new ATOM 747 N ILE A 52 -4.401 -11.747 -10.626 1.00 0.00 N ATOM 748 CA ILE A 52 -4.727 -10.868 -9.469 1.00 0.00 C ATOM 749 C ILE A 52 -3.649 -9.790 -9.328 1.00 0.00 C ATOM 750 O ILE A 52 -2.480 -10.085 -9.179 1.00 0.00 O ATOM 751 CB ILE A 52 -4.775 -11.706 -8.191 1.00 0.00 C ATOM 752 CG1 ILE A 52 -6.091 -12.488 -8.142 1.00 0.00 C ATOM 753 CG2 ILE A 52 -4.685 -10.785 -6.972 1.00 0.00 C ATOM 754 CD1 ILE A 52 -7.190 -11.606 -7.546 1.00 0.00 C ATOM 0 H ILE A 52 -3.640 -12.407 -10.468 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.696 -10.396 -9.633 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.937 -12.403 -8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.372 -12.809 -9.145 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.968 -13.389 -7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.719 -11.383 -6.061 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.749 -10.228 -7.005 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.523 -10.088 -6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.126 -12.164 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.909 -11.307 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.319 -10.718 -8.165 1.00 0.00 H new ATOM 766 N ILE A 53 -4.033 -8.543 -9.373 1.00 0.00 N ATOM 767 CA ILE A 53 -3.028 -7.451 -9.237 1.00 0.00 C ATOM 768 C ILE A 53 -2.465 -7.458 -7.815 1.00 0.00 C ATOM 769 O ILE A 53 -3.159 -7.163 -6.862 1.00 0.00 O ATOM 770 CB ILE A 53 -3.693 -6.103 -9.517 1.00 0.00 C ATOM 771 CG1 ILE A 53 -4.067 -6.019 -10.999 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.721 -4.972 -9.175 1.00 0.00 C ATOM 773 CD1 ILE A 53 -5.312 -5.146 -11.164 1.00 0.00 C ATOM 0 H ILE A 53 -4.997 -8.234 -9.498 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.220 -7.608 -9.951 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.591 -6.008 -8.907 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.239 -5.601 -11.571 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.255 -7.017 -11.394 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.196 -4.011 -9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.451 -5.031 -8.121 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.823 -5.067 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.578 -5.087 -12.219 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.140 -5.583 -10.606 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.107 -4.145 -10.785 1.00 0.00 H new ATOM 785 N GLU A 54 -1.216 -7.799 -7.663 1.00 0.00 N ATOM 786 CA GLU A 54 -0.614 -7.831 -6.300 1.00 0.00 C ATOM 787 C GLU A 54 -0.051 -6.452 -5.949 1.00 0.00 C ATOM 788 O GLU A 54 0.359 -6.206 -4.832 1.00 0.00 O ATOM 789 CB GLU A 54 0.513 -8.865 -6.266 1.00 0.00 C ATOM 790 CG GLU A 54 0.847 -9.209 -4.813 1.00 0.00 C ATOM 791 CD GLU A 54 1.771 -8.137 -4.233 1.00 0.00 C ATOM 792 OE1 GLU A 54 2.570 -7.602 -4.984 1.00 0.00 O ATOM 793 OE2 GLU A 54 1.663 -7.868 -3.048 1.00 0.00 O ATOM 0 H GLU A 54 -0.586 -8.057 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.381 -8.101 -5.574 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.212 -9.764 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.396 -8.473 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.068 -9.273 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.328 -10.186 -4.761 1.00 0.00 H new ATOM 800 N ASP A 55 -0.024 -5.549 -6.891 1.00 0.00 N ATOM 801 CA ASP A 55 0.517 -4.191 -6.600 1.00 0.00 C ATOM 802 C ASP A 55 0.258 -3.266 -7.791 1.00 0.00 C ATOM 803 O ASP A 55 -0.074 -3.709 -8.873 1.00 0.00 O ATOM 804 CB ASP A 55 2.022 -4.288 -6.347 1.00 0.00 C ATOM 805 CG ASP A 55 2.646 -2.894 -6.435 1.00 0.00 C ATOM 806 OD1 ASP A 55 2.404 -2.101 -5.539 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.356 -2.643 -7.395 1.00 0.00 O ATOM 0 H ASP A 55 -0.352 -5.692 -7.846 1.00 0.00 H new ATOM 0 HA ASP A 55 0.023 -3.787 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.209 -4.720 -5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.483 -4.951 -7.079 1.00 0.00 H new ATOM 812 N ALA A 56 0.409 -1.983 -7.600 1.00 0.00 N ATOM 813 CA ALA A 56 0.173 -1.028 -8.718 1.00 0.00 C ATOM 814 C ALA A 56 1.076 0.196 -8.543 1.00 0.00 C ATOM 815 O ALA A 56 1.266 0.688 -7.448 1.00 0.00 O ATOM 816 CB ALA A 56 -1.291 -0.586 -8.711 1.00 0.00 C ATOM 0 H ALA A 56 0.686 -1.556 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 56 0.401 -1.515 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.464 0.113 -9.529 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.935 -1.457 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.519 -0.099 -7.763 1.00 0.00 H new ATOM 822 N LYS A 57 1.632 0.692 -9.615 1.00 0.00 N ATOM 823 CA LYS A 57 2.521 1.885 -9.511 1.00 0.00 C ATOM 824 C LYS A 57 2.148 2.892 -10.602 1.00 0.00 C ATOM 825 O LYS A 57 1.440 2.571 -11.536 1.00 0.00 O ATOM 826 CB LYS A 57 3.978 1.452 -9.691 1.00 0.00 C ATOM 827 CG LYS A 57 4.566 1.065 -8.333 1.00 0.00 C ATOM 828 CD LYS A 57 5.380 2.234 -7.777 1.00 0.00 C ATOM 829 CE LYS A 57 6.827 2.124 -8.260 1.00 0.00 C ATOM 830 NZ LYS A 57 7.540 1.088 -7.460 1.00 0.00 N ATOM 0 H LYS A 57 1.509 0.323 -10.558 1.00 0.00 H new ATOM 0 HA LYS A 57 2.399 2.347 -8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.036 0.608 -10.378 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.558 2.263 -10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.766 0.803 -7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.199 0.184 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.947 3.180 -8.103 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.348 2.228 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.850 1.862 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.329 3.086 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.538 1.359 -7.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.099 1.010 -6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.481 0.171 -7.948 1.00 0.00 H new ATOM 844 N PHE A 58 2.613 4.107 -10.492 1.00 0.00 N ATOM 845 CA PHE A 58 2.277 5.125 -11.527 1.00 0.00 C ATOM 846 C PHE A 58 3.117 6.385 -11.307 1.00 0.00 C ATOM 847 O PHE A 58 3.984 6.427 -10.457 1.00 0.00 O ATOM 848 CB PHE A 58 0.792 5.483 -11.426 1.00 0.00 C ATOM 849 CG PHE A 58 0.551 6.276 -10.165 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.686 5.661 -8.915 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.191 7.627 -10.244 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.462 6.395 -7.744 1.00 0.00 C ATOM 853 CE2 PHE A 58 -0.033 8.363 -9.074 1.00 0.00 C ATOM 854 CZ PHE A 58 0.103 7.747 -7.824 1.00 0.00 C ATOM 0 H PHE A 58 3.209 4.437 -9.733 1.00 0.00 H new ATOM 0 HA PHE A 58 2.491 4.716 -12.515 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.487 6.063 -12.297 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.188 4.576 -11.419 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.963 4.619 -8.854 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.086 8.102 -11.208 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.566 5.919 -6.780 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.310 9.405 -9.136 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.069 8.314 -6.921 1.00 0.00 H new ATOM 864 N LYS A 59 2.860 7.415 -12.068 1.00 0.00 N ATOM 865 CA LYS A 59 3.634 8.677 -11.911 1.00 0.00 C ATOM 866 C LYS A 59 2.997 9.765 -12.780 1.00 0.00 C ATOM 867 O LYS A 59 3.039 9.708 -13.993 1.00 0.00 O ATOM 868 CB LYS A 59 5.083 8.449 -12.352 1.00 0.00 C ATOM 869 CG LYS A 59 6.022 8.680 -11.165 1.00 0.00 C ATOM 870 CD LYS A 59 7.460 8.825 -11.672 1.00 0.00 C ATOM 871 CE LYS A 59 8.399 9.061 -10.488 1.00 0.00 C ATOM 872 NZ LYS A 59 9.094 7.789 -10.144 1.00 0.00 N ATOM 0 H LYS A 59 2.144 7.435 -12.794 1.00 0.00 H new ATOM 0 HA LYS A 59 3.623 8.988 -10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.203 7.434 -12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.337 9.127 -13.167 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.725 9.577 -10.621 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.954 7.846 -10.466 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.758 7.927 -12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.527 9.656 -12.374 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.129 9.831 -10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.834 9.423 -9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.733 7.949 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.390 7.067 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.645 7.462 -10.963 1.00 0.00 H new ATOM 886 N THR A 60 2.400 10.751 -12.168 1.00 0.00 N ATOM 887 CA THR A 60 1.753 11.837 -12.959 1.00 0.00 C ATOM 888 C THR A 60 2.795 12.888 -13.346 1.00 0.00 C ATOM 889 O THR A 60 3.753 13.120 -12.636 1.00 0.00 O ATOM 890 CB THR A 60 0.658 12.496 -12.116 1.00 0.00 C ATOM 891 OG1 THR A 60 1.228 12.997 -10.915 1.00 0.00 O ATOM 892 CG2 THR A 60 -0.423 11.467 -11.783 1.00 0.00 C ATOM 0 H THR A 60 2.332 10.852 -11.155 1.00 0.00 H new ATOM 0 HA THR A 60 1.317 11.412 -13.863 1.00 0.00 H new ATOM 0 HB THR A 60 0.210 13.317 -12.676 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.799 12.568 -10.145 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.201 11.938 -11.183 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.858 11.085 -12.706 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.019 10.644 -11.222 1.00 0.00 H new ATOM 900 N TYR A 61 2.609 13.530 -14.468 1.00 0.00 N ATOM 901 CA TYR A 61 3.583 14.570 -14.902 1.00 0.00 C ATOM 902 C TYR A 61 2.915 15.495 -15.922 1.00 0.00 C ATOM 903 O TYR A 61 2.538 15.079 -16.999 1.00 0.00 O ATOM 904 CB TYR A 61 4.800 13.899 -15.542 1.00 0.00 C ATOM 905 CG TYR A 61 6.063 14.506 -14.981 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.146 15.890 -14.786 1.00 0.00 C ATOM 907 CD2 TYR A 61 7.149 13.687 -14.654 1.00 0.00 C ATOM 908 CE1 TYR A 61 7.316 16.455 -14.265 1.00 0.00 C ATOM 909 CE2 TYR A 61 8.320 14.251 -14.133 1.00 0.00 C ATOM 910 CZ TYR A 61 8.402 15.636 -13.938 1.00 0.00 C ATOM 911 OH TYR A 61 9.556 16.193 -13.424 1.00 0.00 O ATOM 0 H TYR A 61 1.824 13.379 -15.102 1.00 0.00 H new ATOM 0 HA TYR A 61 3.905 15.150 -14.037 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.782 12.827 -15.347 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.772 14.027 -16.624 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.307 16.522 -15.038 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.084 12.619 -14.803 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.380 17.523 -14.116 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.159 13.619 -13.882 1.00 0.00 H new ATOM 0 HH TYR A 61 10.211 15.486 -13.250 1.00 0.00 H new ATOM 921 N GLY A 62 2.765 16.747 -15.589 1.00 0.00 N ATOM 922 CA GLY A 62 2.121 17.699 -16.537 1.00 0.00 C ATOM 923 C GLY A 62 1.412 18.803 -15.749 1.00 0.00 C ATOM 924 O GLY A 62 1.973 19.848 -15.485 1.00 0.00 O ATOM 0 H GLY A 62 3.061 17.152 -14.701 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.871 18.134 -17.198 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.406 17.172 -17.169 1.00 0.00 H new ATOM 928 N CYS A 63 0.184 18.579 -15.372 1.00 0.00 N ATOM 929 CA CYS A 63 -0.560 19.615 -14.602 1.00 0.00 C ATOM 930 C CYS A 63 -0.683 19.174 -13.142 1.00 0.00 C ATOM 931 O CYS A 63 -0.904 18.016 -12.849 1.00 0.00 O ATOM 932 CB CYS A 63 -1.957 19.790 -15.201 1.00 0.00 C ATOM 933 SG CYS A 63 -2.338 21.553 -15.335 1.00 0.00 S ATOM 0 H CYS A 63 -0.337 17.723 -15.564 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.022 20.562 -14.652 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.004 19.321 -16.184 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.698 19.293 -14.575 1.00 0.00 H new ATOM 0 HG CYS A 63 -3.524 21.703 -15.846 1.00 0.00 H new ATOM 939 N GLY A 64 -0.541 20.090 -12.222 1.00 0.00 N ATOM 940 CA GLY A 64 -0.650 19.724 -10.782 1.00 0.00 C ATOM 941 C GLY A 64 -2.100 19.886 -10.322 1.00 0.00 C ATOM 942 O GLY A 64 -2.386 20.585 -9.371 1.00 0.00 O ATOM 0 H GLY A 64 -0.354 21.076 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.323 18.695 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.005 20.358 -10.184 1.00 0.00 H new ATOM 946 N SER A 65 -3.018 19.242 -10.989 1.00 0.00 N ATOM 947 CA SER A 65 -4.449 19.357 -10.590 1.00 0.00 C ATOM 948 C SER A 65 -5.143 18.010 -10.796 1.00 0.00 C ATOM 949 O SER A 65 -6.047 17.648 -10.069 1.00 0.00 O ATOM 950 CB SER A 65 -5.136 20.420 -11.448 1.00 0.00 C ATOM 951 OG SER A 65 -4.203 21.448 -11.757 1.00 0.00 O ATOM 0 H SER A 65 -2.839 18.641 -11.793 1.00 0.00 H new ATOM 0 HA SER A 65 -4.511 19.643 -9.540 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.519 19.972 -12.365 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.991 20.837 -10.916 1.00 0.00 H new ATOM 0 HG SER A 65 -4.639 22.131 -12.308 1.00 0.00 H new ATOM 957 N ALA A 66 -4.727 17.265 -11.782 1.00 0.00 N ATOM 958 CA ALA A 66 -5.362 15.940 -12.037 1.00 0.00 C ATOM 959 C ALA A 66 -4.727 14.886 -11.127 1.00 0.00 C ATOM 960 O ALA A 66 -5.072 13.722 -11.177 1.00 0.00 O ATOM 961 CB ALA A 66 -5.150 15.547 -13.499 1.00 0.00 C ATOM 0 H ALA A 66 -3.974 17.516 -12.423 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.430 16.002 -11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.614 14.579 -13.686 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.603 16.298 -14.147 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.082 15.484 -13.708 1.00 0.00 H new ATOM 967 N ILE A 67 -3.801 15.283 -10.297 1.00 0.00 N ATOM 968 CA ILE A 67 -3.146 14.301 -9.386 1.00 0.00 C ATOM 969 C ILE A 67 -4.204 13.644 -8.500 1.00 0.00 C ATOM 970 O ILE A 67 -3.893 12.867 -7.619 1.00 0.00 O ATOM 971 CB ILE A 67 -2.125 15.023 -8.507 1.00 0.00 C ATOM 972 CG1 ILE A 67 -1.369 16.058 -9.344 1.00 0.00 C ATOM 973 CG2 ILE A 67 -1.134 14.007 -7.937 1.00 0.00 C ATOM 974 CD1 ILE A 67 -0.889 15.413 -10.646 1.00 0.00 C ATOM 0 H ILE A 67 -3.470 16.244 -10.210 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.641 13.538 -9.978 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.642 15.526 -7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.017 16.906 -9.564 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.518 16.444 -8.782 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.406 14.521 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.671 13.271 -7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.618 13.504 -8.755 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.351 16.151 -11.241 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.226 14.579 -10.416 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.748 15.049 -11.210 1.00 0.00 H new ATOM 986 N ALA A 68 -5.452 13.950 -8.722 1.00 0.00 N ATOM 987 CA ALA A 68 -6.528 13.343 -7.889 1.00 0.00 C ATOM 988 C ALA A 68 -7.071 12.093 -8.586 1.00 0.00 C ATOM 989 O ALA A 68 -7.372 11.101 -7.953 1.00 0.00 O ATOM 990 CB ALA A 68 -7.660 14.355 -7.703 1.00 0.00 C ATOM 0 H ALA A 68 -5.774 14.594 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.122 13.068 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.448 13.912 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.274 15.245 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.066 14.630 -8.677 1.00 0.00 H new ATOM 996 N SER A 69 -7.198 12.135 -9.883 1.00 0.00 N ATOM 997 CA SER A 69 -7.723 10.950 -10.618 1.00 0.00 C ATOM 998 C SER A 69 -6.678 9.833 -10.595 1.00 0.00 C ATOM 999 O SER A 69 -6.960 8.713 -10.216 1.00 0.00 O ATOM 1000 CB SER A 69 -8.019 11.340 -12.067 1.00 0.00 C ATOM 1001 OG SER A 69 -9.219 10.703 -12.488 1.00 0.00 O ATOM 0 H SER A 69 -6.961 12.938 -10.466 1.00 0.00 H new ATOM 0 HA SER A 69 -8.639 10.602 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.119 12.422 -12.152 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.191 11.045 -12.712 1.00 0.00 H new ATOM 0 HG SER A 69 -9.413 10.952 -13.416 1.00 0.00 H new ATOM 1007 N SER A 70 -5.473 10.127 -10.999 1.00 0.00 N ATOM 1008 CA SER A 70 -4.411 9.082 -11.000 1.00 0.00 C ATOM 1009 C SER A 70 -4.324 8.440 -9.613 1.00 0.00 C ATOM 1010 O SER A 70 -4.040 7.267 -9.479 1.00 0.00 O ATOM 1011 CB SER A 70 -3.068 9.724 -11.353 1.00 0.00 C ATOM 1012 OG SER A 70 -3.246 11.127 -11.508 1.00 0.00 O ATOM 0 H SER A 70 -5.178 11.046 -11.329 1.00 0.00 H new ATOM 0 HA SER A 70 -4.653 8.317 -11.737 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.338 9.522 -10.569 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.675 9.291 -12.273 1.00 0.00 H new ATOM 0 HG SER A 70 -3.145 11.367 -12.453 1.00 0.00 H new ATOM 1018 N SER A 71 -4.566 9.201 -8.581 1.00 0.00 N ATOM 1019 CA SER A 71 -4.497 8.634 -7.204 1.00 0.00 C ATOM 1020 C SER A 71 -5.689 7.703 -6.975 1.00 0.00 C ATOM 1021 O SER A 71 -5.582 6.693 -6.307 1.00 0.00 O ATOM 1022 CB SER A 71 -4.534 9.773 -6.183 1.00 0.00 C ATOM 1023 OG SER A 71 -3.243 10.358 -6.084 1.00 0.00 O ATOM 0 H SER A 71 -4.808 10.190 -8.631 1.00 0.00 H new ATOM 0 HA SER A 71 -3.571 8.071 -7.088 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.264 10.524 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.850 9.395 -5.211 1.00 0.00 H new ATOM 0 HG SER A 71 -3.240 11.224 -6.544 1.00 0.00 H new ATOM 1029 N LEU A 72 -6.827 8.035 -7.523 1.00 0.00 N ATOM 1030 CA LEU A 72 -8.027 7.171 -7.337 1.00 0.00 C ATOM 1031 C LEU A 72 -7.829 5.853 -8.090 1.00 0.00 C ATOM 1032 O LEU A 72 -7.737 4.795 -7.498 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.259 7.894 -7.887 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.474 6.967 -7.822 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -10.803 6.655 -6.361 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.674 7.656 -8.478 1.00 0.00 C ATOM 0 H LEU A 72 -6.977 8.868 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.168 6.963 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.449 8.799 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.081 8.204 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.251 6.039 -8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.669 5.994 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.949 6.166 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.026 7.582 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.541 6.997 -8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.895 8.583 -7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.441 7.879 -9.519 1.00 0.00 H new ATOM 1048 N ILE A 73 -7.761 5.910 -9.391 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.571 4.664 -10.186 1.00 0.00 C ATOM 1050 C ILE A 73 -6.462 3.815 -9.561 1.00 0.00 C ATOM 1051 O ILE A 73 -6.551 2.605 -9.504 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.182 5.031 -11.618 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -6.525 3.823 -12.292 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -6.195 6.199 -11.596 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -6.663 3.947 -13.810 1.00 0.00 C ATOM 0 H ILE A 73 -7.829 6.767 -9.939 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.501 4.095 -10.192 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.074 5.320 -12.174 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.472 3.767 -12.015 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.994 2.901 -11.948 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.918 6.460 -12.617 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.660 7.059 -11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.303 5.911 -11.040 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.195 3.087 -14.289 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.719 3.982 -14.078 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.173 4.861 -14.146 1.00 0.00 H new ATOM 1067 N THR A 74 -5.414 4.438 -9.097 1.00 0.00 N ATOM 1068 CA THR A 74 -4.297 3.665 -8.483 1.00 0.00 C ATOM 1069 C THR A 74 -4.795 2.931 -7.235 1.00 0.00 C ATOM 1070 O THR A 74 -4.428 1.802 -6.981 1.00 0.00 O ATOM 1071 CB THR A 74 -3.170 4.624 -8.090 1.00 0.00 C ATOM 1072 OG1 THR A 74 -3.719 5.743 -7.409 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.439 5.096 -9.347 1.00 0.00 C ATOM 0 H THR A 74 -5.282 5.449 -9.116 1.00 0.00 H new ATOM 0 HA THR A 74 -3.927 2.937 -9.205 1.00 0.00 H new ATOM 0 HB THR A 74 -2.466 4.110 -7.435 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.632 5.534 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.637 5.779 -9.067 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.018 4.236 -9.868 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.140 5.610 -10.004 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.624 3.565 -6.451 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.134 2.900 -5.218 1.00 0.00 C ATOM 1083 C GLU A 75 -7.374 2.068 -5.550 1.00 0.00 C ATOM 1084 O GLU A 75 -7.973 1.462 -4.684 1.00 0.00 O ATOM 1085 CB GLU A 75 -6.503 3.966 -4.180 1.00 0.00 C ATOM 1086 CG GLU A 75 -5.335 4.177 -3.212 1.00 0.00 C ATOM 1087 CD GLU A 75 -4.242 4.997 -3.900 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -4.303 6.213 -3.819 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -3.363 4.395 -4.494 1.00 0.00 O ATOM 0 H GLU A 75 -5.969 4.512 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.359 2.247 -4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.747 4.904 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.392 3.658 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.681 4.692 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.935 3.215 -2.893 1.00 0.00 H new ATOM 1096 N TRP A 76 -7.771 2.034 -6.792 1.00 0.00 N ATOM 1097 CA TRP A 76 -8.976 1.239 -7.162 1.00 0.00 C ATOM 1098 C TRP A 76 -8.551 -0.042 -7.885 1.00 0.00 C ATOM 1099 O TRP A 76 -9.314 -0.981 -8.001 1.00 0.00 O ATOM 1100 CB TRP A 76 -9.875 2.069 -8.084 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.277 2.055 -7.561 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -11.629 2.310 -6.280 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.514 1.776 -8.278 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -13.003 2.205 -6.165 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.594 1.878 -7.369 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -12.800 1.448 -9.615 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -14.912 1.661 -7.773 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.127 1.230 -10.025 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.179 1.336 -9.105 1.00 0.00 C ATOM 0 H TRP A 76 -7.315 2.520 -7.564 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.524 0.977 -6.257 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.507 3.094 -8.141 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -9.849 1.664 -9.096 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.948 2.555 -5.478 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -13.517 2.351 -5.296 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -11.996 1.363 -10.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -15.720 1.744 -7.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -14.337 0.980 -11.054 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.196 1.166 -9.426 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.342 -0.094 -8.371 1.00 0.00 N ATOM 1121 CA VAL A 77 -6.880 -1.318 -9.085 1.00 0.00 C ATOM 1122 C VAL A 77 -5.762 -1.989 -8.285 1.00 0.00 C ATOM 1123 O VAL A 77 -4.690 -2.248 -8.796 1.00 0.00 O ATOM 1124 CB VAL A 77 -6.357 -0.938 -10.470 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -7.522 -0.466 -11.343 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.327 0.187 -10.338 1.00 0.00 C ATOM 0 H VAL A 77 -6.655 0.657 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.716 -2.010 -9.190 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.886 -1.806 -10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.150 -0.195 -12.331 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.253 -1.268 -11.439 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.994 0.402 -10.882 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.955 0.457 -11.326 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.795 1.056 -9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.497 -0.151 -9.717 1.00 0.00 H new ATOM 1136 N LYS A 78 -6.002 -2.275 -7.035 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.952 -2.932 -6.208 1.00 0.00 C ATOM 1138 C LYS A 78 -5.526 -4.199 -5.572 1.00 0.00 C ATOM 1139 O LYS A 78 -6.284 -4.141 -4.623 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.491 -1.972 -5.110 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.131 -2.424 -4.576 1.00 0.00 C ATOM 1142 CD LYS A 78 -2.768 -1.602 -3.337 1.00 0.00 C ATOM 1143 CE LYS A 78 -1.260 -1.349 -3.317 1.00 0.00 C ATOM 1144 NZ LYS A 78 -0.538 -2.651 -3.366 1.00 0.00 N ATOM 0 H LYS A 78 -6.879 -2.082 -6.551 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.103 -3.194 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.420 -0.958 -5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.222 -1.949 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.161 -3.484 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.368 -2.300 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.306 -0.654 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.071 -2.132 -2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.973 -0.730 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.984 -0.802 -2.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.291 -2.565 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.227 -2.912 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.173 -3.387 -3.736 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.171 -5.344 -6.086 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.698 -6.614 -5.511 1.00 0.00 C ATOM 1160 C GLY A 79 -6.869 -7.111 -6.361 1.00 0.00 C ATOM 1161 O GLY A 79 -7.181 -8.286 -6.380 1.00 0.00 O ATOM 0 H GLY A 79 -4.539 -5.455 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.910 -7.367 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.023 -6.453 -4.483 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.518 -6.226 -7.067 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.668 -6.647 -7.915 1.00 0.00 C ATOM 1167 C LYS A 80 -8.167 -7.563 -9.032 1.00 0.00 C ATOM 1168 O LYS A 80 -6.991 -7.856 -9.129 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.331 -5.411 -8.527 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.619 -4.387 -7.425 1.00 0.00 C ATOM 1171 CD LYS A 80 -10.921 -4.755 -6.712 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.158 -3.787 -5.551 1.00 0.00 C ATOM 1173 NZ LYS A 80 -12.299 -2.886 -5.879 1.00 0.00 N ATOM 0 H LYS A 80 -7.301 -5.230 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.394 -7.182 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.680 -4.973 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.257 -5.693 -9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.795 -4.364 -6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.697 -3.388 -7.854 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.756 -4.712 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.868 -5.779 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.371 -4.343 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.259 -3.199 -5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.460 -2.228 -5.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.079 -2.346 -6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.156 -3.454 -6.036 1.00 0.00 H new ATOM 1187 N SER A 81 -9.048 -8.021 -9.878 1.00 0.00 N ATOM 1188 CA SER A 81 -8.621 -8.920 -10.984 1.00 0.00 C ATOM 1189 C SER A 81 -8.534 -8.125 -12.289 1.00 0.00 C ATOM 1190 O SER A 81 -9.128 -7.073 -12.430 1.00 0.00 O ATOM 1191 CB SER A 81 -9.639 -10.049 -11.144 1.00 0.00 C ATOM 1192 OG SER A 81 -8.951 -11.284 -11.301 1.00 0.00 O ATOM 0 H SER A 81 -10.046 -7.811 -9.850 1.00 0.00 H new ATOM 0 HA SER A 81 -7.643 -9.340 -10.750 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.292 -10.092 -10.272 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.275 -9.861 -12.009 1.00 0.00 H new ATOM 0 HG SER A 81 -8.021 -11.110 -11.557 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.797 -8.621 -13.246 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.674 -7.897 -14.541 1.00 0.00 C ATOM 1200 C LEU A 82 -9.067 -7.675 -15.130 1.00 0.00 C ATOM 1201 O LEU A 82 -9.278 -6.791 -15.936 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.832 -8.727 -15.513 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.361 -8.332 -15.381 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -4.476 -9.523 -15.754 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -5.063 -7.163 -16.323 1.00 0.00 C ATOM 0 H LEU A 82 -7.276 -9.496 -13.186 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.190 -6.934 -14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.955 -9.789 -15.301 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.173 -8.565 -16.536 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.155 -8.035 -14.353 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.427 -9.241 -15.660 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.689 -10.358 -15.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.681 -9.820 -16.783 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.015 -6.879 -16.231 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.269 -7.462 -17.351 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.693 -6.314 -16.059 1.00 0.00 H new ATOM 1217 N GLU A 83 -10.023 -8.470 -14.730 1.00 0.00 N ATOM 1218 CA GLU A 83 -11.403 -8.299 -15.265 1.00 0.00 C ATOM 1219 C GLU A 83 -11.982 -6.984 -14.746 1.00 0.00 C ATOM 1220 O GLU A 83 -12.549 -6.207 -15.489 1.00 0.00 O ATOM 1221 CB GLU A 83 -12.281 -9.463 -14.801 1.00 0.00 C ATOM 1222 CG GLU A 83 -13.531 -9.542 -15.680 1.00 0.00 C ATOM 1223 CD GLU A 83 -14.675 -10.180 -14.889 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -15.274 -9.484 -14.086 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -14.931 -11.354 -15.100 1.00 0.00 O ATOM 0 H GLU A 83 -9.908 -9.228 -14.058 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.374 -8.283 -16.354 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.724 -10.398 -14.858 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.565 -9.325 -13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.818 -8.544 -16.013 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.322 -10.129 -16.575 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.843 -6.724 -13.474 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.380 -5.455 -12.910 1.00 0.00 C ATOM 1234 C GLU A 84 -11.695 -4.273 -13.595 1.00 0.00 C ATOM 1235 O GLU A 84 -12.334 -3.320 -13.996 1.00 0.00 O ATOM 1236 CB GLU A 84 -12.105 -5.405 -11.405 1.00 0.00 C ATOM 1237 CG GLU A 84 -12.966 -4.315 -10.765 1.00 0.00 C ATOM 1238 CD GLU A 84 -14.380 -4.849 -10.535 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -15.194 -4.722 -11.436 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -14.627 -5.377 -9.463 1.00 0.00 O ATOM 0 H GLU A 84 -11.381 -7.336 -12.802 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.456 -5.405 -13.080 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.327 -6.371 -10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.049 -5.203 -11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.527 -3.999 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.998 -3.437 -11.410 1.00 0.00 H new ATOM 1247 N ALA A 85 -10.398 -4.327 -13.738 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.678 -3.207 -14.403 1.00 0.00 C ATOM 1249 C ALA A 85 -10.246 -3.010 -15.809 1.00 0.00 C ATOM 1250 O ALA A 85 -10.364 -1.902 -16.293 1.00 0.00 O ATOM 1251 CB ALA A 85 -8.188 -3.541 -14.493 1.00 0.00 C ATOM 0 H ALA A 85 -9.808 -5.097 -13.423 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.807 -2.292 -13.825 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.660 -2.721 -14.980 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.786 -3.686 -13.490 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.054 -4.454 -15.073 1.00 0.00 H new ATOM 1257 N GLY A 86 -10.604 -4.079 -16.467 1.00 0.00 N ATOM 1258 CA GLY A 86 -11.170 -3.957 -17.839 1.00 0.00 C ATOM 1259 C GLY A 86 -12.664 -3.642 -17.743 1.00 0.00 C ATOM 1260 O GLY A 86 -13.484 -4.271 -18.382 1.00 0.00 O ATOM 0 H GLY A 86 -10.529 -5.032 -16.112 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.655 -3.169 -18.389 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.017 -4.884 -18.392 1.00 0.00 H new ATOM 1264 N ALA A 87 -13.022 -2.674 -16.945 1.00 0.00 N ATOM 1265 CA ALA A 87 -14.462 -2.317 -16.802 1.00 0.00 C ATOM 1266 C ALA A 87 -14.576 -0.950 -16.127 1.00 0.00 C ATOM 1267 O ALA A 87 -15.479 -0.184 -16.403 1.00 0.00 O ATOM 1268 CB ALA A 87 -15.167 -3.370 -15.945 1.00 0.00 C ATOM 0 H ALA A 87 -12.379 -2.114 -16.385 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.930 -2.280 -17.786 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -16.220 -3.109 -15.841 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.081 -4.346 -16.423 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.703 -3.407 -14.959 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.664 -0.638 -15.246 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.711 0.678 -14.551 1.00 0.00 C ATOM 1276 C ILE A 88 -14.260 1.740 -15.507 1.00 0.00 C ATOM 1277 O ILE A 88 -15.092 2.546 -15.142 1.00 0.00 O ATOM 1278 CB ILE A 88 -12.298 1.065 -14.111 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.331 0.876 -15.282 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -11.864 0.176 -12.945 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -9.893 0.869 -14.761 1.00 0.00 C ATOM 0 H ILE A 88 -12.886 -1.241 -14.978 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.359 0.610 -13.678 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.289 2.108 -13.795 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.547 -0.060 -15.798 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.462 1.678 -16.008 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.857 0.452 -12.632 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.553 0.309 -12.111 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.872 -0.867 -13.260 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.204 0.734 -15.595 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -9.681 1.816 -14.265 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -9.767 0.051 -14.051 1.00 0.00 H new ATOM 1293 N LYS A 89 -13.801 1.744 -16.727 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.298 2.750 -17.707 1.00 0.00 C ATOM 1295 C LYS A 89 -14.042 4.159 -17.169 1.00 0.00 C ATOM 1296 O LYS A 89 -14.118 4.403 -15.982 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.800 2.552 -17.924 1.00 0.00 C ATOM 1298 CG LYS A 89 -16.026 1.504 -19.014 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.508 1.122 -19.057 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.677 -0.186 -19.832 1.00 0.00 C ATOM 1301 NZ LYS A 89 -19.094 -0.325 -20.269 1.00 0.00 N ATOM 0 H LYS A 89 -13.103 1.094 -17.088 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.774 2.623 -18.654 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.273 2.233 -16.995 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.264 3.496 -18.211 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.713 1.897 -19.981 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.418 0.621 -18.816 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.895 1.009 -18.044 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.085 1.915 -19.532 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.016 -0.196 -20.698 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.394 -1.032 -19.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.209 -1.214 -20.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.715 -0.334 -19.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.348 0.476 -20.882 1.00 0.00 H new ATOM 1315 N ASN A 90 -13.741 5.089 -18.034 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.481 6.481 -17.572 1.00 0.00 C ATOM 1317 C ASN A 90 -14.800 7.129 -17.146 1.00 0.00 C ATOM 1318 O ASN A 90 -14.831 7.994 -16.294 1.00 0.00 O ATOM 1319 CB ASN A 90 -12.859 7.291 -18.711 1.00 0.00 C ATOM 1320 CG ASN A 90 -13.350 6.745 -20.054 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -12.818 5.777 -20.560 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -14.349 7.329 -20.655 1.00 0.00 N ATOM 0 H ASN A 90 -13.664 4.944 -19.041 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.794 6.461 -16.726 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -13.129 8.342 -18.613 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.772 7.235 -18.659 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -14.684 6.973 -21.550 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -14.795 8.142 -20.230 1.00 0.00 H new ATOM 1329 N SER A 91 -15.891 6.717 -17.733 1.00 0.00 N ATOM 1330 CA SER A 91 -17.206 7.310 -17.360 1.00 0.00 C ATOM 1331 C SER A 91 -17.408 7.187 -15.848 1.00 0.00 C ATOM 1332 O SER A 91 -17.906 8.088 -15.204 1.00 0.00 O ATOM 1333 CB SER A 91 -18.326 6.564 -18.087 1.00 0.00 C ATOM 1334 OG SER A 91 -18.287 5.190 -17.728 1.00 0.00 O ATOM 0 H SER A 91 -15.928 5.996 -18.454 1.00 0.00 H new ATOM 0 HA SER A 91 -17.226 8.362 -17.646 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.293 6.993 -17.825 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.211 6.673 -19.165 1.00 0.00 H new ATOM 0 HG SER A 91 -19.005 4.710 -18.191 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.022 6.078 -15.278 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.189 5.900 -13.808 1.00 0.00 C ATOM 1342 C GLN A 92 -16.190 6.794 -13.071 1.00 0.00 C ATOM 1343 O GLN A 92 -16.555 7.580 -12.220 1.00 0.00 O ATOM 1344 CB GLN A 92 -16.936 4.436 -13.438 1.00 0.00 C ATOM 1345 CG GLN A 92 -18.038 3.949 -12.496 1.00 0.00 C ATOM 1346 CD GLN A 92 -19.330 3.739 -13.289 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -20.266 4.502 -13.160 1.00 0.00 O ATOM 1348 NE2 GLN A 92 -19.420 2.731 -14.111 1.00 0.00 N ATOM 0 H GLN A 92 -16.599 5.289 -15.766 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.204 6.175 -13.521 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -16.914 3.821 -14.338 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -15.962 4.334 -12.959 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.737 3.017 -12.017 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.200 4.677 -11.702 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -18.634 2.090 -14.220 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -20.276 2.584 -14.645 1.00 0.00 H new ATOM 1357 N ILE A 93 -14.931 6.680 -13.391 1.00 0.00 N ATOM 1358 CA ILE A 93 -13.909 7.523 -12.709 1.00 0.00 C ATOM 1359 C ILE A 93 -14.334 8.991 -12.774 1.00 0.00 C ATOM 1360 O ILE A 93 -14.192 9.732 -11.822 1.00 0.00 O ATOM 1361 CB ILE A 93 -12.559 7.351 -13.406 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.281 5.860 -13.613 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -11.454 7.958 -12.541 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -10.953 5.683 -14.350 1.00 0.00 C ATOM 0 H ILE A 93 -14.565 6.039 -14.095 1.00 0.00 H new ATOM 0 HA ILE A 93 -13.821 7.216 -11.667 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.582 7.857 -14.371 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -12.245 5.349 -12.651 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.089 5.405 -14.185 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -10.493 7.834 -13.039 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -11.651 9.019 -12.391 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -11.429 7.453 -11.575 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -10.757 4.621 -14.496 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -11.006 6.179 -15.319 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.148 6.123 -13.761 1.00 0.00 H new ATOM 1376 N ALA A 94 -14.857 9.418 -13.892 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.293 10.837 -14.015 1.00 0.00 C ATOM 1378 C ALA A 94 -16.444 11.101 -13.042 1.00 0.00 C ATOM 1379 O ALA A 94 -16.356 11.952 -12.180 1.00 0.00 O ATOM 1380 CB ALA A 94 -15.762 11.105 -15.447 1.00 0.00 C ATOM 0 H ALA A 94 -15.001 8.846 -14.724 1.00 0.00 H new ATOM 0 HA ALA A 94 -14.458 11.496 -13.778 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.081 12.143 -15.537 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.942 10.916 -16.140 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.597 10.447 -15.685 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.521 10.376 -13.171 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.673 10.587 -12.249 1.00 0.00 C ATOM 1388 C GLU A 95 -18.172 10.564 -10.804 1.00 0.00 C ATOM 1389 O GLU A 95 -18.422 11.472 -10.036 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.700 9.470 -12.450 1.00 0.00 C ATOM 1391 CG GLU A 95 -20.909 9.720 -11.545 1.00 0.00 C ATOM 1392 CD GLU A 95 -21.643 8.401 -11.297 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -21.203 7.654 -10.440 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -22.632 8.161 -11.971 1.00 0.00 O ATOM 0 H GLU A 95 -17.653 9.648 -13.873 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.139 11.549 -12.461 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -20.014 9.434 -13.493 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -19.252 8.504 -12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.585 10.151 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -21.582 10.441 -12.010 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.465 9.533 -10.428 1.00 0.00 N ATOM 1402 CA GLU A 96 -16.947 9.455 -9.034 1.00 0.00 C ATOM 1403 C GLU A 96 -16.301 10.790 -8.658 1.00 0.00 C ATOM 1404 O GLU A 96 -16.595 11.365 -7.628 1.00 0.00 O ATOM 1405 CB GLU A 96 -15.904 8.338 -8.938 1.00 0.00 C ATOM 1406 CG GLU A 96 -16.579 7.047 -8.469 1.00 0.00 C ATOM 1407 CD GLU A 96 -17.109 7.236 -7.048 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -16.832 8.272 -6.465 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -17.784 6.342 -6.564 1.00 0.00 O ATOM 0 H GLU A 96 -17.224 8.742 -11.026 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.769 9.242 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.432 8.182 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -15.115 8.622 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -17.396 6.786 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.868 6.221 -8.496 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.424 11.287 -9.486 1.00 0.00 N ATOM 1417 CA LEU A 97 -14.760 12.586 -9.180 1.00 0.00 C ATOM 1418 C LEU A 97 -15.779 13.720 -9.312 1.00 0.00 C ATOM 1419 O LEU A 97 -15.801 14.643 -8.522 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.612 12.815 -10.164 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.277 12.577 -9.456 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -12.165 11.104 -9.059 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -11.129 12.936 -10.402 1.00 0.00 C ATOM 0 H LEU A 97 -15.138 10.850 -10.362 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.368 12.565 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.709 12.141 -11.015 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.652 13.832 -10.555 1.00 0.00 H new ATOM 0 HG LEU A 97 -12.223 13.200 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.214 10.934 -8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.983 10.845 -8.387 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -12.218 10.481 -9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.177 12.767 -9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.184 12.312 -11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -11.207 13.985 -10.688 1.00 0.00 H new ATOM 1435 N GLU A 98 -16.621 13.658 -10.305 1.00 0.00 N ATOM 1436 CA GLU A 98 -17.638 14.731 -10.491 1.00 0.00 C ATOM 1437 C GLU A 98 -16.998 15.920 -11.207 1.00 0.00 C ATOM 1438 O GLU A 98 -17.355 17.059 -10.978 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.165 15.180 -9.126 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.604 15.678 -9.272 1.00 0.00 C ATOM 1441 CD GLU A 98 -20.552 14.482 -9.376 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -20.497 13.793 -10.381 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -21.316 14.275 -8.448 1.00 0.00 O ATOM 0 H GLU A 98 -16.649 12.909 -10.997 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.464 14.348 -11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.126 14.351 -8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -17.534 15.972 -8.724 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.874 16.296 -8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.694 16.305 -10.159 1.00 0.00 H new ATOM 1450 N LEU A 99 -16.055 15.668 -12.072 1.00 0.00 N ATOM 1451 CA LEU A 99 -15.396 16.787 -12.802 1.00 0.00 C ATOM 1452 C LEU A 99 -16.254 17.178 -14.008 1.00 0.00 C ATOM 1453 O LEU A 99 -16.892 16.345 -14.619 1.00 0.00 O ATOM 1454 CB LEU A 99 -14.014 16.339 -13.284 1.00 0.00 C ATOM 1455 CG LEU A 99 -14.162 15.130 -14.209 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -13.862 15.548 -15.649 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -13.179 14.037 -13.783 1.00 0.00 C ATOM 0 H LEU A 99 -15.712 14.736 -12.305 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.287 17.643 -12.136 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.519 17.155 -13.811 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -13.385 16.083 -12.431 1.00 0.00 H new ATOM 0 HG LEU A 99 -15.181 14.749 -14.145 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -13.968 14.686 -16.308 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.561 16.326 -15.955 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.843 15.930 -15.712 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.285 13.175 -14.442 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.160 14.419 -13.846 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -13.391 13.737 -12.757 1.00 0.00 H new ATOM 1469 N PRO A 100 -16.267 18.440 -14.347 1.00 0.00 N ATOM 1470 CA PRO A 100 -17.060 18.953 -15.502 1.00 0.00 C ATOM 1471 C PRO A 100 -16.561 18.392 -16.838 1.00 0.00 C ATOM 1472 O PRO A 100 -15.404 18.052 -16.984 1.00 0.00 O ATOM 1473 CB PRO A 100 -16.862 20.472 -15.451 1.00 0.00 C ATOM 1474 CG PRO A 100 -15.640 20.698 -14.623 1.00 0.00 C ATOM 1475 CD PRO A 100 -15.528 19.512 -13.667 1.00 0.00 C ATOM 0 HA PRO A 100 -18.106 18.655 -15.434 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -16.737 20.883 -16.453 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.729 20.964 -15.010 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -14.754 20.771 -15.254 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.716 21.634 -14.070 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.488 19.234 -13.495 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.962 19.741 -12.694 1.00 0.00 H new ATOM 1483 N PRO A 101 -17.434 18.299 -17.802 1.00 0.00 N ATOM 1484 CA PRO A 101 -17.093 17.772 -19.155 1.00 0.00 C ATOM 1485 C PRO A 101 -16.193 18.732 -19.938 1.00 0.00 C ATOM 1486 O PRO A 101 -16.103 18.667 -21.148 1.00 0.00 O ATOM 1487 CB PRO A 101 -18.450 17.628 -19.847 1.00 0.00 C ATOM 1488 CG PRO A 101 -19.359 18.578 -19.143 1.00 0.00 C ATOM 1489 CD PRO A 101 -18.849 18.691 -17.706 1.00 0.00 C ATOM 0 HA PRO A 101 -16.536 16.837 -19.095 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -18.377 17.868 -20.908 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -18.820 16.605 -19.776 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -19.355 19.552 -19.633 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -20.387 18.216 -19.161 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.958 19.705 -17.322 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -19.401 18.035 -17.033 1.00 0.00 H new ATOM 1497 N VAL A 102 -15.526 19.622 -19.256 1.00 0.00 N ATOM 1498 CA VAL A 102 -14.634 20.587 -19.960 1.00 0.00 C ATOM 1499 C VAL A 102 -13.240 19.976 -20.120 1.00 0.00 C ATOM 1500 O VAL A 102 -12.468 20.385 -20.963 1.00 0.00 O ATOM 1501 CB VAL A 102 -14.533 21.876 -19.145 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -15.925 22.491 -18.985 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -13.955 21.559 -17.764 1.00 0.00 C ATOM 0 H VAL A 102 -15.560 19.723 -18.242 1.00 0.00 H new ATOM 0 HA VAL A 102 -15.047 20.809 -20.944 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.882 22.582 -19.661 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -15.852 23.410 -18.404 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -16.339 22.715 -19.968 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -16.577 21.786 -18.469 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -13.882 22.477 -17.181 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.607 20.853 -17.250 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.963 21.121 -17.876 1.00 0.00 H new ATOM 1513 N LYS A 103 -12.910 19.001 -19.317 1.00 0.00 N ATOM 1514 CA LYS A 103 -11.563 18.373 -19.430 1.00 0.00 C ATOM 1515 C LYS A 103 -11.689 16.853 -19.316 1.00 0.00 C ATOM 1516 O LYS A 103 -10.957 16.213 -18.588 1.00 0.00 O ATOM 1517 CB LYS A 103 -10.662 18.894 -18.308 1.00 0.00 C ATOM 1518 CG LYS A 103 -9.201 18.821 -18.753 1.00 0.00 C ATOM 1519 CD LYS A 103 -8.322 19.582 -17.758 1.00 0.00 C ATOM 1520 CE LYS A 103 -6.875 19.581 -18.253 1.00 0.00 C ATOM 1521 NZ LYS A 103 -6.296 18.217 -18.094 1.00 0.00 N ATOM 0 H LYS A 103 -13.512 18.614 -18.591 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.128 18.627 -20.397 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.927 19.922 -18.062 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.808 18.302 -17.405 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.881 17.781 -18.815 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.092 19.248 -19.750 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.680 20.606 -17.649 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.381 19.117 -16.774 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.837 19.884 -19.299 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.286 20.305 -17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.266 18.258 -18.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.500 17.862 -17.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.716 17.577 -18.798 1.00 0.00 H new ATOM 1535 N VAL A 104 -12.606 16.266 -20.036 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.767 14.787 -19.969 1.00 0.00 C ATOM 1537 C VAL A 104 -11.456 14.124 -20.392 1.00 0.00 C ATOM 1538 O VAL A 104 -11.278 12.929 -20.258 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.892 14.351 -20.911 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -14.277 12.900 -20.616 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -15.113 15.251 -20.698 1.00 0.00 C ATOM 0 H VAL A 104 -13.249 16.746 -20.666 1.00 0.00 H new ATOM 0 HA VAL A 104 -13.018 14.489 -18.951 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.550 14.434 -21.943 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.078 12.592 -21.288 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.410 12.256 -20.766 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.617 12.816 -19.584 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.915 14.941 -21.368 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.451 15.167 -19.665 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.843 16.286 -20.909 1.00 0.00 H new ATOM 1551 N HIS A 105 -10.534 14.894 -20.903 1.00 0.00 N ATOM 1552 CA HIS A 105 -9.231 14.314 -21.337 1.00 0.00 C ATOM 1553 C HIS A 105 -8.583 13.578 -20.163 1.00 0.00 C ATOM 1554 O HIS A 105 -7.819 12.651 -20.347 1.00 0.00 O ATOM 1555 CB HIS A 105 -8.305 15.440 -21.806 1.00 0.00 C ATOM 1556 CG HIS A 105 -8.157 15.380 -23.302 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -8.321 16.498 -24.108 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -7.861 14.343 -24.154 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -8.125 16.112 -25.383 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -7.842 14.810 -25.463 1.00 0.00 N ATOM 0 H HIS A 105 -10.627 15.901 -21.039 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.399 13.614 -22.156 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -8.712 16.407 -21.509 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -7.329 15.345 -21.330 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.672 13.323 -23.853 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -8.189 16.773 -26.235 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -7.652 14.271 -26.308 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.881 13.981 -18.959 1.00 0.00 N ATOM 1569 CA CYS A 106 -8.281 13.302 -17.777 1.00 0.00 C ATOM 1570 C CYS A 106 -8.871 11.896 -17.642 1.00 0.00 C ATOM 1571 O CYS A 106 -8.175 10.907 -17.762 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.588 14.109 -16.514 1.00 0.00 C ATOM 1573 SG CYS A 106 -7.784 13.331 -15.091 1.00 0.00 S ATOM 0 H CYS A 106 -9.514 14.751 -18.743 1.00 0.00 H new ATOM 0 HA CYS A 106 -7.201 13.231 -17.908 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.235 15.134 -16.629 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -9.665 14.159 -16.354 1.00 0.00 H new ATOM 0 HG CYS A 106 -8.043 14.017 -14.018 1.00 0.00 H new ATOM 1579 N SER A 107 -10.149 11.800 -17.396 1.00 0.00 N ATOM 1580 CA SER A 107 -10.780 10.457 -17.255 1.00 0.00 C ATOM 1581 C SER A 107 -10.372 9.578 -18.439 1.00 0.00 C ATOM 1582 O SER A 107 -9.690 8.585 -18.281 1.00 0.00 O ATOM 1583 CB SER A 107 -12.301 10.608 -17.232 1.00 0.00 C ATOM 1584 OG SER A 107 -12.860 9.598 -16.402 1.00 0.00 O ATOM 0 H SER A 107 -10.783 12.592 -17.287 1.00 0.00 H new ATOM 0 HA SER A 107 -10.448 9.994 -16.326 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.575 11.595 -16.858 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.701 10.528 -18.243 1.00 0.00 H new ATOM 0 HG SER A 107 -13.741 9.342 -16.747 1.00 0.00 H new ATOM 1590 N ILE A 108 -10.782 9.935 -19.626 1.00 0.00 N ATOM 1591 CA ILE A 108 -10.414 9.119 -20.817 1.00 0.00 C ATOM 1592 C ILE A 108 -8.956 8.673 -20.695 1.00 0.00 C ATOM 1593 O ILE A 108 -8.621 7.534 -20.949 1.00 0.00 O ATOM 1594 CB ILE A 108 -10.591 9.957 -22.084 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -12.083 10.181 -22.341 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -9.973 9.223 -23.274 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -12.261 11.245 -23.425 1.00 0.00 C ATOM 0 H ILE A 108 -11.355 10.756 -19.822 1.00 0.00 H new ATOM 0 HA ILE A 108 -11.058 8.242 -20.872 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.095 10.919 -21.955 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -12.553 9.248 -22.652 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.578 10.497 -21.422 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.100 9.821 -24.176 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.910 9.063 -23.091 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.467 8.260 -23.404 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -13.324 11.404 -23.608 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.805 12.179 -23.096 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.781 10.911 -24.345 1.00 0.00 H new ATOM 1609 N LEU A 109 -8.085 9.564 -20.304 1.00 0.00 N ATOM 1610 CA LEU A 109 -6.651 9.187 -20.164 1.00 0.00 C ATOM 1611 C LEU A 109 -6.530 8.019 -19.184 1.00 0.00 C ATOM 1612 O LEU A 109 -5.815 7.066 -19.423 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.856 10.383 -19.633 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.950 10.926 -20.740 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.808 11.549 -21.842 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -4.017 11.990 -20.158 1.00 0.00 C ATOM 0 H LEU A 109 -8.305 10.534 -20.076 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.255 8.893 -21.136 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.537 11.162 -19.291 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -5.257 10.082 -18.773 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.358 10.111 -21.157 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.163 11.936 -22.631 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.474 10.792 -22.257 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.400 12.364 -21.425 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.371 12.378 -20.946 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.609 12.804 -19.741 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.405 11.547 -19.372 1.00 0.00 H new ATOM 1628 N ALA A 110 -7.229 8.083 -18.083 1.00 0.00 N ATOM 1629 CA ALA A 110 -7.157 6.974 -17.090 1.00 0.00 C ATOM 1630 C ALA A 110 -7.564 5.664 -17.766 1.00 0.00 C ATOM 1631 O ALA A 110 -6.895 4.658 -17.646 1.00 0.00 O ATOM 1632 CB ALA A 110 -8.109 7.267 -15.929 1.00 0.00 C ATOM 0 H ALA A 110 -7.846 8.854 -17.829 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.139 6.888 -16.710 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.057 6.456 -15.202 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.821 8.203 -15.450 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.128 7.351 -16.306 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.658 5.670 -18.479 1.00 0.00 N ATOM 1639 CA GLU A 111 -9.107 4.425 -19.164 1.00 0.00 C ATOM 1640 C GLU A 111 -8.022 3.963 -20.138 1.00 0.00 C ATOM 1641 O GLU A 111 -7.496 2.874 -20.025 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.398 4.709 -19.936 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.921 3.411 -20.560 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.882 3.523 -22.085 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -9.981 4.174 -22.589 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -11.755 2.957 -22.723 1.00 0.00 O ATOM 0 H GLU A 111 -9.259 6.482 -18.616 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.289 3.645 -18.425 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.148 5.131 -19.267 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.213 5.449 -20.714 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.314 2.567 -20.232 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.941 3.220 -20.225 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.679 4.786 -21.092 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.626 4.396 -22.072 1.00 0.00 C ATOM 1655 C ASP A 112 -5.397 3.882 -21.321 1.00 0.00 C ATOM 1656 O ASP A 112 -4.622 3.102 -21.838 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.237 5.615 -22.912 1.00 0.00 C ATOM 1658 CG ASP A 112 -5.931 5.172 -24.343 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -6.865 4.822 -25.046 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -4.769 5.190 -24.713 1.00 0.00 O ATOM 0 H ASP A 112 -8.083 5.712 -21.235 1.00 0.00 H new ATOM 0 HA ASP A 112 -7.008 3.611 -22.724 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.047 6.344 -22.911 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.366 6.106 -22.478 1.00 0.00 H new ATOM 1665 N ALA A 113 -5.210 4.314 -20.104 1.00 0.00 N ATOM 1666 CA ALA A 113 -4.030 3.852 -19.321 1.00 0.00 C ATOM 1667 C ALA A 113 -4.229 2.391 -18.908 1.00 0.00 C ATOM 1668 O ALA A 113 -3.304 1.603 -18.916 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.875 4.721 -18.071 1.00 0.00 C ATOM 0 H ALA A 113 -5.824 4.967 -19.618 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.133 3.935 -19.934 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.012 4.383 -17.498 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.731 5.760 -18.366 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.772 4.639 -17.458 1.00 0.00 H new ATOM 1675 N ILE A 114 -5.428 2.022 -18.547 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.679 0.613 -18.134 1.00 0.00 C ATOM 1677 C ILE A 114 -5.582 -0.303 -19.358 1.00 0.00 C ATOM 1678 O ILE A 114 -5.119 -1.422 -19.272 1.00 0.00 O ATOM 1679 CB ILE A 114 -7.078 0.502 -17.513 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -7.075 -0.601 -16.450 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -8.104 0.162 -18.596 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -6.545 -0.036 -15.131 1.00 0.00 C ATOM 0 H ILE A 114 -6.243 2.635 -18.520 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.934 0.311 -17.398 1.00 0.00 H new ATOM 0 HB ILE A 114 -7.344 1.455 -17.055 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.084 -0.991 -16.312 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -6.453 -1.434 -16.777 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.094 0.085 -18.148 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -8.108 0.947 -19.352 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.841 -0.788 -19.061 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -6.543 -0.820 -14.374 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -5.529 0.332 -15.275 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -7.185 0.783 -14.803 1.00 0.00 H new ATOM 1694 N LYS A 115 -6.017 0.166 -20.497 1.00 0.00 N ATOM 1695 CA LYS A 115 -5.951 -0.677 -21.723 1.00 0.00 C ATOM 1696 C LYS A 115 -4.519 -0.681 -22.265 1.00 0.00 C ATOM 1697 O LYS A 115 -4.075 -1.640 -22.863 1.00 0.00 O ATOM 1698 CB LYS A 115 -6.899 -0.113 -22.783 1.00 0.00 C ATOM 1699 CG LYS A 115 -8.269 -0.780 -22.649 1.00 0.00 C ATOM 1700 CD LYS A 115 -9.350 0.162 -23.181 1.00 0.00 C ATOM 1701 CE LYS A 115 -10.368 -0.638 -23.997 1.00 0.00 C ATOM 1702 NZ LYS A 115 -11.281 0.299 -24.709 1.00 0.00 N ATOM 0 H LYS A 115 -6.415 1.096 -20.630 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.248 -1.697 -21.478 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.995 0.966 -22.663 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.493 -0.288 -23.779 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.284 -1.718 -23.204 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -8.466 -1.024 -21.605 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -9.848 0.666 -22.353 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -8.899 0.937 -23.801 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.853 -1.277 -24.715 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.941 -1.293 -23.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -12.185 -0.177 -24.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -11.450 1.136 -24.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -10.846 0.593 -25.607 1.00 0.00 H new ATOM 1716 N ALA A 116 -3.793 0.385 -22.061 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.392 0.437 -22.564 1.00 0.00 C ATOM 1718 C ALA A 116 -1.547 -0.598 -21.819 1.00 0.00 C ATOM 1719 O ALA A 116 -0.760 -1.312 -22.408 1.00 0.00 O ATOM 1720 CB ALA A 116 -1.816 1.834 -22.327 1.00 0.00 C ATOM 0 H ALA A 116 -4.110 1.220 -21.569 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.379 0.217 -23.631 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -0.791 1.872 -22.695 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.419 2.571 -22.857 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.827 2.056 -21.260 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.704 -0.688 -20.526 1.00 0.00 N ATOM 1727 CA ALA A 117 -0.911 -1.678 -19.746 1.00 0.00 C ATOM 1728 C ALA A 117 -1.389 -3.091 -20.089 1.00 0.00 C ATOM 1729 O ALA A 117 -0.602 -4.011 -20.208 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.104 -1.423 -18.249 1.00 0.00 C ATOM 0 H ALA A 117 -2.348 -0.118 -19.977 1.00 0.00 H new ATOM 0 HA ALA A 117 0.145 -1.578 -19.996 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.523 -2.148 -17.679 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.767 -0.416 -18.005 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.159 -1.524 -17.996 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.670 -3.270 -20.251 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.198 -4.622 -20.589 1.00 0.00 C ATOM 1738 C ILE A 118 -2.555 -5.109 -21.888 1.00 0.00 C ATOM 1739 O ILE A 118 -2.120 -6.239 -21.990 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.716 -4.547 -20.766 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.391 -4.582 -19.394 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.192 -5.739 -21.599 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.855 -4.165 -19.533 1.00 0.00 C ATOM 0 H ILE A 118 -3.375 -2.538 -20.164 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.961 -5.317 -19.784 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.977 -3.620 -21.276 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.326 -5.584 -18.971 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.875 -3.912 -18.706 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.273 -5.686 -21.725 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.711 -5.715 -22.577 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.931 -6.666 -21.089 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.335 -4.190 -18.555 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -6.909 -3.154 -19.937 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.367 -4.853 -20.206 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.492 -4.266 -22.882 1.00 0.00 N ATOM 1756 CA ALA A 119 -1.877 -4.683 -24.174 1.00 0.00 C ATOM 1757 C ALA A 119 -0.378 -4.916 -23.974 1.00 0.00 C ATOM 1758 O ALA A 119 0.173 -5.901 -24.423 1.00 0.00 O ATOM 1759 CB ALA A 119 -2.085 -3.582 -25.216 1.00 0.00 C ATOM 0 H ALA A 119 -2.839 -3.307 -22.856 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.346 -5.605 -24.518 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.636 -3.886 -26.161 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.152 -3.414 -25.359 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.616 -2.661 -24.871 1.00 0.00 H new ATOM 1765 N ASP A 120 0.288 -4.016 -23.302 1.00 0.00 N ATOM 1766 CA ASP A 120 1.750 -4.186 -23.074 1.00 0.00 C ATOM 1767 C ASP A 120 1.988 -5.386 -22.156 1.00 0.00 C ATOM 1768 O ASP A 120 3.107 -5.814 -21.953 1.00 0.00 O ATOM 1769 CB ASP A 120 2.314 -2.925 -22.416 1.00 0.00 C ATOM 1770 CG ASP A 120 2.644 -1.890 -23.494 1.00 0.00 C ATOM 1771 OD1 ASP A 120 3.602 -2.103 -24.218 1.00 0.00 O ATOM 1772 OD2 ASP A 120 1.933 -0.903 -23.576 1.00 0.00 O ATOM 0 H ASP A 120 -0.118 -3.170 -22.901 1.00 0.00 H new ATOM 0 HA ASP A 120 2.248 -4.353 -24.029 1.00 0.00 H new ATOM 0 HB2 ASP A 120 1.590 -2.514 -21.712 1.00 0.00 H new ATOM 0 HB3 ASP A 120 3.210 -3.169 -21.845 1.00 0.00 H new ATOM 1777 N TYR A 121 0.943 -5.934 -21.598 1.00 0.00 N ATOM 1778 CA TYR A 121 1.110 -7.104 -20.692 1.00 0.00 C ATOM 1779 C TYR A 121 1.103 -8.395 -21.514 1.00 0.00 C ATOM 1780 O TYR A 121 1.992 -9.216 -21.407 1.00 0.00 O ATOM 1781 CB TYR A 121 -0.043 -7.136 -19.684 1.00 0.00 C ATOM 1782 CG TYR A 121 0.152 -8.288 -18.730 1.00 0.00 C ATOM 1783 CD1 TYR A 121 1.303 -8.354 -17.935 1.00 0.00 C ATOM 1784 CD2 TYR A 121 -0.819 -9.293 -18.639 1.00 0.00 C ATOM 1785 CE1 TYR A 121 1.482 -9.423 -17.050 1.00 0.00 C ATOM 1786 CE2 TYR A 121 -0.640 -10.363 -17.754 1.00 0.00 C ATOM 1787 CZ TYR A 121 0.511 -10.428 -16.959 1.00 0.00 C ATOM 1788 OH TYR A 121 0.686 -11.483 -16.086 1.00 0.00 O ATOM 0 H TYR A 121 -0.019 -5.622 -21.731 1.00 0.00 H new ATOM 0 HA TYR A 121 2.058 -7.018 -20.161 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.084 -6.197 -19.133 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.994 -7.240 -20.207 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.053 -7.580 -18.005 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -1.707 -9.243 -19.252 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.370 -9.473 -16.437 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -1.389 -11.138 -17.684 1.00 0.00 H new ATOM 0 HH TYR A 121 1.598 -11.832 -16.173 1.00 0.00 H new ATOM 1798 N LYS A 122 0.104 -8.581 -22.334 1.00 0.00 N ATOM 1799 CA LYS A 122 0.041 -9.820 -23.161 1.00 0.00 C ATOM 1800 C LYS A 122 1.251 -9.877 -24.094 1.00 0.00 C ATOM 1801 O LYS A 122 1.853 -10.915 -24.283 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.244 -9.812 -23.992 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.413 -10.292 -23.132 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.671 -10.406 -23.996 1.00 0.00 C ATOM 1805 CE LYS A 122 -4.395 -11.714 -23.672 1.00 0.00 C ATOM 1806 NZ LYS A 122 -5.768 -11.680 -24.250 1.00 0.00 N ATOM 0 H LYS A 122 -0.670 -7.930 -22.467 1.00 0.00 H new ATOM 0 HA LYS A 122 0.048 -10.692 -22.507 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -1.442 -8.807 -24.365 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.130 -10.458 -24.863 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -2.177 -11.258 -22.686 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.585 -9.595 -22.312 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.330 -9.558 -23.811 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -3.404 -10.378 -25.052 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -3.839 -12.559 -24.078 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.447 -11.855 -22.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.260 -12.569 -24.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.296 -10.882 -23.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.708 -11.565 -25.282 1.00 0.00 H new ATOM 1820 N ALA A 123 1.612 -8.769 -24.681 1.00 0.00 N ATOM 1821 CA ALA A 123 2.782 -8.761 -25.602 1.00 0.00 C ATOM 1822 C ALA A 123 4.065 -8.992 -24.802 1.00 0.00 C ATOM 1823 O ALA A 123 5.149 -9.034 -25.348 1.00 0.00 O ATOM 1824 CB ALA A 123 2.861 -7.409 -26.315 1.00 0.00 C ATOM 0 H ALA A 123 1.147 -7.869 -24.562 1.00 0.00 H new ATOM 0 HA ALA A 123 2.668 -9.555 -26.340 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.717 -7.403 -26.989 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.948 -7.245 -26.887 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.974 -6.615 -25.577 1.00 0.00 H new ATOM 1830 N LYS A 124 3.951 -9.140 -23.510 1.00 0.00 N ATOM 1831 CA LYS A 124 5.165 -9.368 -22.676 1.00 0.00 C ATOM 1832 C LYS A 124 5.242 -10.845 -22.282 1.00 0.00 C ATOM 1833 O LYS A 124 5.937 -11.215 -21.357 1.00 0.00 O ATOM 1834 CB LYS A 124 5.087 -8.505 -21.414 1.00 0.00 C ATOM 1835 CG LYS A 124 6.442 -8.510 -20.703 1.00 0.00 C ATOM 1836 CD LYS A 124 7.025 -7.094 -20.697 1.00 0.00 C ATOM 1837 CE LYS A 124 6.187 -6.200 -19.781 1.00 0.00 C ATOM 1838 NZ LYS A 124 7.087 -5.288 -19.021 1.00 0.00 N ATOM 0 H LYS A 124 3.070 -9.113 -22.996 1.00 0.00 H new ATOM 0 HA LYS A 124 6.054 -9.097 -23.246 1.00 0.00 H new ATOM 0 HB2 LYS A 124 4.806 -7.485 -21.676 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.314 -8.887 -20.747 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.326 -8.871 -19.681 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.126 -9.193 -21.207 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.059 -7.117 -20.353 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.034 -6.689 -21.709 1.00 0.00 H new ATOM 0 HE2 LYS A 124 5.477 -5.620 -20.371 1.00 0.00 H new ATOM 0 HE3 LYS A 124 5.604 -6.811 -19.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.519 -4.680 -18.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.747 -5.851 -18.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.624 -4.696 -19.687 1.00 0.00 H new