USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 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 69 SER OG : rot -170:sc= -0.458! USER MOD Set 1.2: A 106 CYS SG : rot 180:sc= 1.14 USER MOD Set 2.1: A 57 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 LYS NZ :NH3+ -159:sc= -0.296 (180deg=-0.345) USER MOD Set 3.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 44 GLN : amide:sc= -1.75! C(o=-3.6!,f=-9!) USER MOD Set 3.3: A 46 LYS NZ :NH3+ 174:sc= -1.88! (180deg=-0.145) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.839 K(o=-0.84,f=-2.1) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -157:sc= -0.127 (180deg=-0.447) USER MOD Single : A 42 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.3!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -130:sc= -1.21 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= -1.84! USER MOD Single : A 65 SER OG : rot 38:sc= 0.143 USER MOD Single : A 70 SER OG : rot -38:sc= -0.0295 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 74:sc= -3.2! USER MOD Single : A 78 LYS NZ :NH3+ -138:sc= 1.22 (180deg=-0.729) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 0.499 (180deg=0.361) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0589 USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0255) USER MOD Single : A 90 ASN : amide:sc= 0.02 K(o=0.02,f=-3.9!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.646 F(o=-1.7!,f=-0.65) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-6.3!) USER MOD Single : A 107 SER OG : rot -171:sc= 1.14 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ -141:sc= -0.277 (180deg=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 374 N ASP A 24 9.435 -9.905 -15.625 1.00 0.00 N ATOM 375 CA ASP A 24 8.514 -9.990 -16.793 1.00 0.00 C ATOM 376 C ASP A 24 7.450 -11.058 -16.528 1.00 0.00 C ATOM 377 O ASP A 24 7.273 -11.507 -15.414 1.00 0.00 O ATOM 378 CB ASP A 24 9.311 -10.363 -18.046 1.00 0.00 C ATOM 379 CG ASP A 24 9.634 -9.097 -18.842 1.00 0.00 C ATOM 380 OD1 ASP A 24 9.980 -8.104 -18.222 1.00 0.00 O ATOM 381 OD2 ASP A 24 9.531 -9.141 -20.056 1.00 0.00 O ATOM 0 HA ASP A 24 8.030 -9.025 -16.944 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.232 -10.874 -17.765 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.737 -11.056 -18.662 1.00 0.00 H new ATOM 386 N SER A 25 6.742 -11.470 -17.544 1.00 0.00 N ATOM 387 CA SER A 25 5.692 -12.510 -17.349 1.00 0.00 C ATOM 388 C SER A 25 4.657 -12.007 -16.341 1.00 0.00 C ATOM 389 O SER A 25 3.684 -12.674 -16.049 1.00 0.00 O ATOM 390 CB SER A 25 6.336 -13.791 -16.821 1.00 0.00 C ATOM 391 OG SER A 25 6.503 -14.709 -17.892 1.00 0.00 O ATOM 0 H SER A 25 6.845 -11.131 -18.501 1.00 0.00 H new ATOM 0 HA SER A 25 5.202 -12.715 -18.301 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.301 -13.566 -16.366 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.712 -14.231 -16.043 1.00 0.00 H new ATOM 0 HG SER A 25 6.918 -15.531 -17.556 1.00 0.00 H new ATOM 397 N ASN A 26 4.858 -10.834 -15.806 1.00 0.00 N ATOM 398 CA ASN A 26 3.886 -10.289 -14.817 1.00 0.00 C ATOM 399 C ASN A 26 4.181 -8.807 -14.579 1.00 0.00 C ATOM 400 O ASN A 26 3.916 -8.273 -13.520 1.00 0.00 O ATOM 401 CB ASN A 26 4.017 -11.055 -13.499 1.00 0.00 C ATOM 402 CG ASN A 26 5.423 -10.853 -12.928 1.00 0.00 C ATOM 403 OD1 ASN A 26 6.281 -11.699 -13.082 1.00 0.00 O ATOM 404 ND2 ASN A 26 5.696 -9.759 -12.271 1.00 0.00 N ATOM 0 H ASN A 26 5.654 -10.229 -16.011 1.00 0.00 H new ATOM 0 HA ASN A 26 2.872 -10.401 -15.202 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.270 -10.705 -12.787 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.828 -12.116 -13.663 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.630 -9.614 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.976 -9.049 -12.142 1.00 0.00 H new ATOM 411 N VAL A 27 4.729 -8.139 -15.556 1.00 0.00 N ATOM 412 CA VAL A 27 5.043 -6.693 -15.386 1.00 0.00 C ATOM 413 C VAL A 27 4.391 -5.893 -16.516 1.00 0.00 C ATOM 414 O VAL A 27 4.959 -5.724 -17.578 1.00 0.00 O ATOM 415 CB VAL A 27 6.558 -6.493 -15.429 1.00 0.00 C ATOM 416 CG1 VAL A 27 6.875 -5.002 -15.538 1.00 0.00 C ATOM 417 CG2 VAL A 27 7.182 -7.053 -14.149 1.00 0.00 C ATOM 0 H VAL A 27 4.973 -8.532 -16.465 1.00 0.00 H new ATOM 0 HA VAL A 27 4.657 -6.347 -14.427 1.00 0.00 H new ATOM 0 HB VAL A 27 6.968 -7.015 -16.294 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.955 -4.861 -15.569 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.431 -4.601 -16.449 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.465 -4.479 -14.674 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.262 -6.911 -14.179 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.771 -6.531 -13.285 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.958 -8.117 -14.070 1.00 0.00 H new ATOM 427 N GLY A 28 3.204 -5.398 -16.297 1.00 0.00 N ATOM 428 CA GLY A 28 2.517 -4.609 -17.360 1.00 0.00 C ATOM 429 C GLY A 28 2.902 -3.133 -17.234 1.00 0.00 C ATOM 430 O GLY A 28 3.083 -2.619 -16.149 1.00 0.00 O ATOM 0 H GLY A 28 2.680 -5.505 -15.429 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.796 -4.985 -18.344 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.437 -4.722 -17.270 1.00 0.00 H new ATOM 434 N THR A 29 3.028 -2.449 -18.338 1.00 0.00 N ATOM 435 CA THR A 29 3.401 -1.008 -18.283 1.00 0.00 C ATOM 436 C THR A 29 2.515 -0.215 -19.246 1.00 0.00 C ATOM 437 O THR A 29 2.360 -0.573 -20.397 1.00 0.00 O ATOM 438 CB THR A 29 4.869 -0.845 -18.688 1.00 0.00 C ATOM 439 OG1 THR A 29 5.643 -1.864 -18.072 1.00 0.00 O ATOM 440 CG2 THR A 29 5.376 0.527 -18.239 1.00 0.00 C ATOM 0 H THR A 29 2.889 -2.826 -19.275 1.00 0.00 H new ATOM 0 HA THR A 29 3.260 -0.634 -17.269 1.00 0.00 H new ATOM 0 HB THR A 29 4.959 -0.924 -19.771 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.583 -1.763 -18.331 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.421 0.641 -18.528 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.781 1.308 -18.713 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.288 0.611 -17.156 1.00 0.00 H new ATOM 448 N GLY A 30 1.933 0.859 -18.787 1.00 0.00 N ATOM 449 CA GLY A 30 1.057 1.671 -19.679 1.00 0.00 C ATOM 450 C GLY A 30 1.667 3.061 -19.867 1.00 0.00 C ATOM 451 O GLY A 30 2.198 3.646 -18.945 1.00 0.00 O ATOM 0 H GLY A 30 2.026 1.209 -17.834 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.946 1.177 -20.645 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.060 1.755 -19.248 1.00 0.00 H new ATOM 455 N MET A 31 1.596 3.594 -21.056 1.00 0.00 N ATOM 456 CA MET A 31 2.175 4.946 -21.300 1.00 0.00 C ATOM 457 C MET A 31 1.225 5.759 -22.182 1.00 0.00 C ATOM 458 O MET A 31 0.850 5.340 -23.261 1.00 0.00 O ATOM 459 CB MET A 31 3.527 4.802 -22.001 1.00 0.00 C ATOM 460 CG MET A 31 4.482 5.883 -21.491 1.00 0.00 C ATOM 461 SD MET A 31 5.734 6.227 -22.752 1.00 0.00 S ATOM 462 CE MET A 31 6.986 6.920 -21.645 1.00 0.00 C ATOM 0 H MET A 31 1.163 3.153 -21.868 1.00 0.00 H new ATOM 0 HA MET A 31 2.312 5.459 -20.348 1.00 0.00 H new ATOM 0 HB2 MET A 31 3.944 3.813 -21.810 1.00 0.00 H new ATOM 0 HB3 MET A 31 3.401 4.892 -23.080 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.928 6.792 -21.257 1.00 0.00 H new ATOM 0 HG3 MET A 31 4.961 5.555 -20.568 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.864 7.207 -22.223 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.581 7.798 -21.142 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.268 6.174 -20.902 1.00 0.00 H new ATOM 472 N VAL A 32 0.835 6.920 -21.734 1.00 0.00 N ATOM 473 CA VAL A 32 -0.090 7.764 -22.543 1.00 0.00 C ATOM 474 C VAL A 32 0.332 9.232 -22.427 1.00 0.00 C ATOM 475 O VAL A 32 1.175 9.581 -21.626 1.00 0.00 O ATOM 476 CB VAL A 32 -1.518 7.601 -22.021 1.00 0.00 C ATOM 477 CG1 VAL A 32 -2.258 6.566 -22.870 1.00 0.00 C ATOM 478 CG2 VAL A 32 -1.475 7.127 -20.566 1.00 0.00 C ATOM 0 H VAL A 32 1.117 7.322 -20.840 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.049 7.453 -23.587 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.038 8.557 -22.080 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.276 6.450 -22.497 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.287 6.900 -23.907 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.739 5.609 -22.811 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.492 7.010 -20.191 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.955 6.170 -20.510 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.947 7.863 -19.959 1.00 0.00 H new ATOM 488 N GLY A 33 -0.246 10.092 -23.220 1.00 0.00 N ATOM 489 CA GLY A 33 0.127 11.534 -23.150 1.00 0.00 C ATOM 490 C GLY A 33 -0.955 12.383 -23.819 1.00 0.00 C ATOM 491 O GLY A 33 -1.519 12.008 -24.829 1.00 0.00 O ATOM 0 H GLY A 33 -0.959 9.860 -23.912 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.249 11.837 -22.110 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.085 11.695 -23.643 1.00 0.00 H new ATOM 495 N ALA A 34 -1.248 13.529 -23.267 1.00 0.00 N ATOM 496 CA ALA A 34 -2.291 14.406 -23.870 1.00 0.00 C ATOM 497 C ALA A 34 -1.621 15.654 -24.460 1.00 0.00 C ATOM 498 O ALA A 34 -0.846 16.314 -23.798 1.00 0.00 O ATOM 499 CB ALA A 34 -3.286 14.829 -22.788 1.00 0.00 C ATOM 0 H ALA A 34 -0.809 13.896 -22.423 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.816 13.864 -24.656 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.050 15.471 -23.227 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.757 13.944 -22.361 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.761 15.374 -22.004 1.00 0.00 H new ATOM 505 N PRO A 35 -1.909 15.979 -25.698 1.00 0.00 N ATOM 506 CA PRO A 35 -1.315 17.167 -26.373 1.00 0.00 C ATOM 507 C PRO A 35 -1.970 18.479 -25.926 1.00 0.00 C ATOM 508 O PRO A 35 -1.301 19.456 -25.654 1.00 0.00 O ATOM 509 CB PRO A 35 -1.590 16.912 -27.854 1.00 0.00 C ATOM 510 CG PRO A 35 -2.823 16.071 -27.883 1.00 0.00 C ATOM 511 CD PRO A 35 -2.831 15.253 -26.590 1.00 0.00 C ATOM 0 HA PRO A 35 -0.257 17.281 -26.137 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.738 17.847 -28.394 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.753 16.400 -28.328 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.715 16.694 -27.952 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.824 15.416 -28.755 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.832 15.192 -26.164 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.495 14.231 -26.763 1.00 0.00 H new ATOM 519 N ALA A 36 -3.272 18.509 -25.855 1.00 0.00 N ATOM 520 CA ALA A 36 -3.968 19.757 -25.432 1.00 0.00 C ATOM 521 C ALA A 36 -3.172 20.444 -24.318 1.00 0.00 C ATOM 522 O ALA A 36 -2.818 21.602 -24.421 1.00 0.00 O ATOM 523 CB ALA A 36 -5.368 19.412 -24.921 1.00 0.00 C ATOM 0 H ALA A 36 -3.885 17.723 -26.072 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.046 20.431 -26.285 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.877 20.325 -24.611 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.937 18.931 -25.716 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.288 18.735 -24.071 1.00 0.00 H new ATOM 529 N CYS A 37 -2.893 19.745 -23.252 1.00 0.00 N ATOM 530 CA CYS A 37 -2.125 20.369 -22.135 1.00 0.00 C ATOM 531 C CYS A 37 -0.758 19.695 -22.010 1.00 0.00 C ATOM 532 O CYS A 37 -0.183 19.633 -20.941 1.00 0.00 O ATOM 533 CB CYS A 37 -2.899 20.196 -20.827 1.00 0.00 C ATOM 534 SG CYS A 37 -3.646 21.777 -20.355 1.00 0.00 S ATOM 0 H CYS A 37 -3.162 18.772 -23.105 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.987 21.430 -22.341 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.672 19.437 -20.947 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.231 19.848 -20.040 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.306 21.631 -19.245 1.00 0.00 H new ATOM 540 N GLY A 38 -0.228 19.193 -23.093 1.00 0.00 N ATOM 541 CA GLY A 38 1.104 18.526 -23.034 1.00 0.00 C ATOM 542 C GLY A 38 1.260 17.803 -21.695 1.00 0.00 C ATOM 543 O GLY A 38 2.235 17.983 -20.992 1.00 0.00 O ATOM 0 H GLY A 38 -0.661 19.216 -24.016 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.203 17.816 -23.855 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.897 19.264 -23.154 1.00 0.00 H new ATOM 547 N ASP A 39 0.308 16.987 -21.334 1.00 0.00 N ATOM 548 CA ASP A 39 0.406 16.255 -20.040 1.00 0.00 C ATOM 549 C ASP A 39 0.833 14.810 -20.304 1.00 0.00 C ATOM 550 O ASP A 39 0.094 14.026 -20.866 1.00 0.00 O ATOM 551 CB ASP A 39 -0.958 16.264 -19.347 1.00 0.00 C ATOM 552 CG ASP A 39 -1.366 17.706 -19.039 1.00 0.00 C ATOM 553 OD1 ASP A 39 -0.482 18.532 -18.883 1.00 0.00 O ATOM 554 OD2 ASP A 39 -2.558 17.960 -18.964 1.00 0.00 O ATOM 0 H ASP A 39 -0.533 16.796 -21.879 1.00 0.00 H new ATOM 0 HA ASP A 39 1.143 16.741 -19.401 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.705 15.792 -19.985 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.913 15.683 -18.426 1.00 0.00 H new ATOM 559 N VAL A 40 2.021 14.449 -19.901 1.00 0.00 N ATOM 560 CA VAL A 40 2.493 13.054 -20.130 1.00 0.00 C ATOM 561 C VAL A 40 2.312 12.237 -18.848 1.00 0.00 C ATOM 562 O VAL A 40 2.701 12.654 -17.775 1.00 0.00 O ATOM 563 CB VAL A 40 3.974 13.076 -20.515 1.00 0.00 C ATOM 564 CG1 VAL A 40 4.759 13.889 -19.484 1.00 0.00 C ATOM 565 CG2 VAL A 40 4.511 11.643 -20.548 1.00 0.00 C ATOM 0 H VAL A 40 2.684 15.059 -19.424 1.00 0.00 H new ATOM 0 HA VAL A 40 1.914 12.601 -20.934 1.00 0.00 H new ATOM 0 HB VAL A 40 4.087 13.532 -21.499 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.814 13.904 -19.759 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.376 14.909 -19.457 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.647 13.434 -18.500 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.566 11.656 -20.822 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.397 11.189 -19.564 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.953 11.062 -21.282 1.00 0.00 H new ATOM 575 N MET A 41 1.723 11.078 -18.952 1.00 0.00 N ATOM 576 CA MET A 41 1.517 10.235 -17.740 1.00 0.00 C ATOM 577 C MET A 41 1.851 8.780 -18.068 1.00 0.00 C ATOM 578 O MET A 41 1.709 8.338 -19.191 1.00 0.00 O ATOM 579 CB MET A 41 0.058 10.336 -17.290 1.00 0.00 C ATOM 580 CG MET A 41 -0.233 9.252 -16.249 1.00 0.00 C ATOM 581 SD MET A 41 -0.929 7.796 -17.071 1.00 0.00 S ATOM 582 CE MET A 41 -2.457 7.700 -16.107 1.00 0.00 C ATOM 0 H MET A 41 1.375 10.678 -19.823 1.00 0.00 H new ATOM 0 HA MET A 41 2.168 10.585 -16.939 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.136 11.322 -16.867 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.606 10.220 -18.146 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.683 8.983 -15.723 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.931 9.629 -15.501 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.847 6.683 -16.143 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.252 7.974 -15.072 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.194 8.386 -16.524 1.00 0.00 H new ATOM 592 N GLN A 42 2.294 8.029 -17.097 1.00 0.00 N ATOM 593 CA GLN A 42 2.636 6.602 -17.354 1.00 0.00 C ATOM 594 C GLN A 42 2.098 5.738 -16.213 1.00 0.00 C ATOM 595 O GLN A 42 2.508 5.870 -15.076 1.00 0.00 O ATOM 596 CB GLN A 42 4.156 6.451 -17.441 1.00 0.00 C ATOM 597 CG GLN A 42 4.550 5.019 -17.078 1.00 0.00 C ATOM 598 CD GLN A 42 5.886 4.673 -17.739 1.00 0.00 C ATOM 599 OE1 GLN A 42 6.588 5.545 -18.212 1.00 0.00 O ATOM 600 NE2 GLN A 42 6.271 3.427 -17.792 1.00 0.00 N ATOM 0 H GLN A 42 2.434 8.342 -16.136 1.00 0.00 H new ATOM 0 HA GLN A 42 2.187 6.281 -18.294 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.498 6.689 -18.448 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.641 7.155 -16.765 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.630 4.916 -15.996 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.778 4.324 -17.408 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.683 2.694 -17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.160 3.186 -18.230 1.00 0.00 H new ATOM 609 N LEU A 43 1.181 4.855 -16.503 1.00 0.00 N ATOM 610 CA LEU A 43 0.618 3.988 -15.430 1.00 0.00 C ATOM 611 C LEU A 43 1.183 2.573 -15.568 1.00 0.00 C ATOM 612 O LEU A 43 1.385 2.079 -16.660 1.00 0.00 O ATOM 613 CB LEU A 43 -0.909 3.945 -15.560 1.00 0.00 C ATOM 614 CG LEU A 43 -1.534 3.455 -14.250 1.00 0.00 C ATOM 615 CD1 LEU A 43 -2.830 4.224 -13.988 1.00 0.00 C ATOM 616 CD2 LEU A 43 -1.844 1.961 -14.361 1.00 0.00 C ATOM 0 H LEU A 43 0.798 4.697 -17.435 1.00 0.00 H new ATOM 0 HA LEU A 43 0.889 4.392 -14.455 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.289 4.937 -15.805 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.194 3.283 -16.378 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.837 3.622 -13.429 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.277 3.877 -13.056 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.612 5.289 -13.911 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.526 4.054 -14.809 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.289 1.611 -13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.542 1.794 -15.181 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.922 1.411 -14.552 1.00 0.00 H new ATOM 628 N GLN A 44 1.441 1.916 -14.470 1.00 0.00 N ATOM 629 CA GLN A 44 1.993 0.535 -14.541 1.00 0.00 C ATOM 630 C GLN A 44 1.255 -0.358 -13.539 1.00 0.00 C ATOM 631 O GLN A 44 0.608 0.120 -12.629 1.00 0.00 O ATOM 632 CB GLN A 44 3.487 0.567 -14.203 1.00 0.00 C ATOM 633 CG GLN A 44 3.909 -0.769 -13.585 1.00 0.00 C ATOM 634 CD GLN A 44 5.432 -0.810 -13.448 1.00 0.00 C ATOM 635 OE1 GLN A 44 5.971 -0.451 -12.421 1.00 0.00 O ATOM 636 NE2 GLN A 44 6.152 -1.237 -14.449 1.00 0.00 N ATOM 0 H GLN A 44 1.293 2.277 -13.527 1.00 0.00 H new ATOM 0 HA GLN A 44 1.859 0.137 -15.547 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.069 0.761 -15.104 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.694 1.381 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.442 -0.893 -12.608 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.567 -1.595 -14.209 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.698 -1.538 -15.311 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.168 -1.269 -14.369 1.00 0.00 H new ATOM 645 N ILE A 45 1.347 -1.650 -13.699 1.00 0.00 N ATOM 646 CA ILE A 45 0.649 -2.566 -12.754 1.00 0.00 C ATOM 647 C ILE A 45 1.465 -3.851 -12.589 1.00 0.00 C ATOM 648 O ILE A 45 2.325 -4.158 -13.389 1.00 0.00 O ATOM 649 CB ILE A 45 -0.737 -2.910 -13.303 1.00 0.00 C ATOM 650 CG1 ILE A 45 -0.632 -3.208 -14.801 1.00 0.00 C ATOM 651 CG2 ILE A 45 -1.682 -1.728 -13.083 1.00 0.00 C ATOM 652 CD1 ILE A 45 -1.574 -4.358 -15.160 1.00 0.00 C ATOM 0 H ILE A 45 1.874 -2.110 -14.441 1.00 0.00 H new ATOM 0 HA ILE A 45 0.545 -2.075 -11.786 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.126 -3.786 -12.784 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.889 -2.320 -15.378 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.394 -3.470 -15.059 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.669 -1.974 -13.474 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.757 -1.516 -12.017 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.294 -0.851 -13.601 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.499 -4.570 -16.227 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.296 -5.246 -14.593 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.599 -4.078 -14.917 1.00 0.00 H new ATOM 664 N LYS A 46 1.199 -4.602 -11.555 1.00 0.00 N ATOM 665 CA LYS A 46 1.958 -5.866 -11.338 1.00 0.00 C ATOM 666 C LYS A 46 0.974 -7.015 -11.100 1.00 0.00 C ATOM 667 O LYS A 46 -0.012 -6.865 -10.407 1.00 0.00 O ATOM 668 CB LYS A 46 2.867 -5.709 -10.114 1.00 0.00 C ATOM 669 CG LYS A 46 3.724 -4.449 -10.271 1.00 0.00 C ATOM 670 CD LYS A 46 5.206 -4.832 -10.263 1.00 0.00 C ATOM 671 CE LYS A 46 6.058 -3.577 -10.062 1.00 0.00 C ATOM 672 NZ LYS A 46 5.878 -2.660 -11.223 1.00 0.00 N ATOM 0 H LYS A 46 0.490 -4.395 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 46 2.565 -6.084 -12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.265 -5.642 -9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.506 -6.585 -10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.474 -3.941 -11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.514 -3.751 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.403 -5.549 -9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.472 -5.318 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.770 -3.073 -9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.108 -3.850 -9.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.376 -1.766 -11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.267 -3.104 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.865 -2.470 -11.362 1.00 0.00 H new ATOM 686 N VAL A 47 1.231 -8.160 -11.674 1.00 0.00 N ATOM 687 CA VAL A 47 0.305 -9.312 -11.481 1.00 0.00 C ATOM 688 C VAL A 47 0.909 -10.298 -10.479 1.00 0.00 C ATOM 689 O VAL A 47 2.109 -10.354 -10.296 1.00 0.00 O ATOM 690 CB VAL A 47 0.086 -10.020 -12.819 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.202 -10.843 -12.757 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.028 -8.979 -13.936 1.00 0.00 C ATOM 0 H VAL A 47 2.040 -8.347 -12.267 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.648 -8.947 -11.099 1.00 0.00 H new ATOM 0 HB VAL A 47 0.930 -10.680 -13.022 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.358 -11.347 -13.711 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.122 -11.585 -11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.046 -10.184 -12.553 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.184 -9.484 -14.889 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.871 -8.318 -13.733 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.890 -8.393 -13.982 1.00 0.00 H new ATOM 702 N ASP A 48 0.086 -11.078 -9.832 1.00 0.00 N ATOM 703 CA ASP A 48 0.610 -12.063 -8.844 1.00 0.00 C ATOM 704 C ASP A 48 0.934 -13.375 -9.560 1.00 0.00 C ATOM 705 O ASP A 48 2.004 -13.929 -9.408 1.00 0.00 O ATOM 706 CB ASP A 48 -0.446 -12.318 -7.766 1.00 0.00 C ATOM 707 CG ASP A 48 0.136 -13.232 -6.687 1.00 0.00 C ATOM 708 OD1 ASP A 48 1.148 -12.865 -6.111 1.00 0.00 O ATOM 709 OD2 ASP A 48 -0.438 -14.283 -6.455 1.00 0.00 O ATOM 0 H ASP A 48 -0.928 -11.075 -9.945 1.00 0.00 H new ATOM 0 HA ASP A 48 1.513 -11.667 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.765 -11.374 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.329 -12.778 -8.209 1.00 0.00 H new ATOM 714 N ASP A 49 0.014 -13.875 -10.339 1.00 0.00 N ATOM 715 CA ASP A 49 0.261 -15.151 -11.067 1.00 0.00 C ATOM 716 C ASP A 49 -1.077 -15.751 -11.500 1.00 0.00 C ATOM 717 O ASP A 49 -1.152 -16.517 -12.440 1.00 0.00 O ATOM 718 CB ASP A 49 0.986 -16.137 -10.146 1.00 0.00 C ATOM 719 CG ASP A 49 0.530 -15.920 -8.703 1.00 0.00 C ATOM 720 OD1 ASP A 49 -0.399 -15.154 -8.504 1.00 0.00 O ATOM 721 OD2 ASP A 49 1.117 -16.523 -7.820 1.00 0.00 O ATOM 0 H ASP A 49 -0.900 -13.453 -10.503 1.00 0.00 H new ATOM 0 HA ASP A 49 0.878 -14.956 -11.944 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.775 -17.161 -10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.064 -15.996 -10.223 1.00 0.00 H new ATOM 726 N ASN A 50 -2.137 -15.409 -10.820 1.00 0.00 N ATOM 727 CA ASN A 50 -3.471 -15.959 -11.190 1.00 0.00 C ATOM 728 C ASN A 50 -4.256 -14.908 -11.978 1.00 0.00 C ATOM 729 O ASN A 50 -5.279 -15.197 -12.566 1.00 0.00 O ATOM 730 CB ASN A 50 -4.242 -16.327 -9.919 1.00 0.00 C ATOM 731 CG ASN A 50 -3.536 -17.485 -9.211 1.00 0.00 C ATOM 732 OD1 ASN A 50 -3.483 -18.585 -9.726 1.00 0.00 O ATOM 733 ND2 ASN A 50 -2.988 -17.284 -8.044 1.00 0.00 N ATOM 0 H ASN A 50 -2.136 -14.772 -10.024 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.339 -16.849 -11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.303 -15.464 -9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.264 -16.609 -10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.515 -18.050 -7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.032 -16.361 -7.612 1.00 0.00 H new ATOM 740 N GLY A 51 -3.786 -13.691 -11.997 1.00 0.00 N ATOM 741 CA GLY A 51 -4.508 -12.626 -12.751 1.00 0.00 C ATOM 742 C GLY A 51 -4.900 -11.495 -11.799 1.00 0.00 C ATOM 743 O GLY A 51 -5.633 -10.594 -12.158 1.00 0.00 O ATOM 0 H GLY A 51 -2.935 -13.388 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.874 -12.239 -13.549 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.398 -13.041 -13.223 1.00 0.00 H new ATOM 747 N ILE A 52 -4.419 -11.533 -10.586 1.00 0.00 N ATOM 748 CA ILE A 52 -4.765 -10.459 -9.613 1.00 0.00 C ATOM 749 C ILE A 52 -3.655 -9.407 -9.596 1.00 0.00 C ATOM 750 O ILE A 52 -2.500 -9.704 -9.828 1.00 0.00 O ATOM 751 CB ILE A 52 -4.912 -11.064 -8.216 1.00 0.00 C ATOM 752 CG1 ILE A 52 -5.531 -12.459 -8.328 1.00 0.00 C ATOM 753 CG2 ILE A 52 -5.818 -10.172 -7.366 1.00 0.00 C ATOM 754 CD1 ILE A 52 -6.930 -12.351 -8.941 1.00 0.00 C ATOM 0 H ILE A 52 -3.802 -12.261 -10.227 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.704 -9.992 -9.909 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.931 -11.137 -7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.901 -13.099 -8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.589 -12.923 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.923 -10.603 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.379 -9.178 -7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.799 -10.098 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.370 -13.345 -9.020 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.558 -11.726 -8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.859 -11.905 -9.933 1.00 0.00 H new ATOM 766 N ILE A 53 -3.996 -8.178 -9.322 1.00 0.00 N ATOM 767 CA ILE A 53 -2.960 -7.107 -9.289 1.00 0.00 C ATOM 768 C ILE A 53 -2.406 -6.979 -7.868 1.00 0.00 C ATOM 769 O ILE A 53 -2.969 -6.301 -7.031 1.00 0.00 O ATOM 770 CB ILE A 53 -3.586 -5.778 -9.714 1.00 0.00 C ATOM 771 CG1 ILE A 53 -3.860 -5.802 -11.219 1.00 0.00 C ATOM 772 CG2 ILE A 53 -2.621 -4.638 -9.396 1.00 0.00 C ATOM 773 CD1 ILE A 53 -4.566 -4.510 -11.629 1.00 0.00 C ATOM 0 H ILE A 53 -4.947 -7.869 -9.120 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.151 -7.362 -9.974 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.521 -5.628 -9.174 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.924 -5.908 -11.768 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.478 -6.663 -11.473 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.066 -3.690 -9.698 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.420 -4.619 -8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.687 -4.790 -9.938 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.761 -4.527 -12.701 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.509 -4.424 -11.090 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.932 -3.657 -11.389 1.00 0.00 H new ATOM 785 N GLU A 54 -1.307 -7.625 -7.589 1.00 0.00 N ATOM 786 CA GLU A 54 -0.719 -7.540 -6.222 1.00 0.00 C ATOM 787 C GLU A 54 -0.427 -6.078 -5.880 1.00 0.00 C ATOM 788 O GLU A 54 -0.743 -5.608 -4.804 1.00 0.00 O ATOM 789 CB GLU A 54 0.583 -8.344 -6.175 1.00 0.00 C ATOM 790 CG GLU A 54 1.587 -7.750 -7.165 1.00 0.00 C ATOM 791 CD GLU A 54 2.691 -8.771 -7.447 1.00 0.00 C ATOM 792 OE1 GLU A 54 2.538 -9.908 -7.032 1.00 0.00 O ATOM 793 OE2 GLU A 54 3.670 -8.398 -8.071 1.00 0.00 O ATOM 0 H GLU A 54 -0.791 -8.208 -8.248 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.425 -7.948 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.997 -8.327 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.387 -9.388 -6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.082 -7.479 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.018 -6.836 -6.757 1.00 0.00 H new ATOM 800 N ASP A 55 0.174 -5.353 -6.785 1.00 0.00 N ATOM 801 CA ASP A 55 0.485 -3.922 -6.505 1.00 0.00 C ATOM 802 C ASP A 55 0.165 -3.077 -7.739 1.00 0.00 C ATOM 803 O ASP A 55 -0.066 -3.591 -8.815 1.00 0.00 O ATOM 804 CB ASP A 55 1.969 -3.780 -6.164 1.00 0.00 C ATOM 805 CG ASP A 55 2.131 -2.839 -4.970 1.00 0.00 C ATOM 806 OD1 ASP A 55 1.342 -1.915 -4.858 1.00 0.00 O ATOM 807 OD2 ASP A 55 3.040 -3.059 -4.185 1.00 0.00 O ATOM 0 H ASP A 55 0.462 -5.689 -7.704 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.117 -3.579 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.394 -4.756 -5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.515 -3.391 -7.024 1.00 0.00 H new ATOM 812 N ALA A 56 0.153 -1.781 -7.594 1.00 0.00 N ATOM 813 CA ALA A 56 -0.152 -0.903 -8.759 1.00 0.00 C ATOM 814 C ALA A 56 0.539 0.449 -8.572 1.00 0.00 C ATOM 815 O ALA A 56 0.071 1.301 -7.844 1.00 0.00 O ATOM 816 CB ALA A 56 -1.665 -0.697 -8.857 1.00 0.00 C ATOM 0 H ALA A 56 0.341 -1.292 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 56 0.210 -1.371 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.890 -0.055 -9.709 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.156 -1.661 -8.990 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.028 -0.228 -7.943 1.00 0.00 H new ATOM 822 N LYS A 57 1.652 0.651 -9.222 1.00 0.00 N ATOM 823 CA LYS A 57 2.373 1.947 -9.080 1.00 0.00 C ATOM 824 C LYS A 57 2.043 2.848 -10.273 1.00 0.00 C ATOM 825 O LYS A 57 1.615 2.386 -11.313 1.00 0.00 O ATOM 826 CB LYS A 57 3.881 1.689 -9.034 1.00 0.00 C ATOM 827 CG LYS A 57 4.475 2.342 -7.784 1.00 0.00 C ATOM 828 CD LYS A 57 5.963 2.000 -7.688 1.00 0.00 C ATOM 829 CE LYS A 57 6.785 3.112 -8.343 1.00 0.00 C ATOM 830 NZ LYS A 57 8.093 2.560 -8.798 1.00 0.00 N ATOM 0 H LYS A 57 2.093 -0.025 -9.845 1.00 0.00 H new ATOM 0 HA LYS A 57 2.061 2.438 -8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.077 0.617 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.357 2.092 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.341 3.423 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.952 1.991 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.254 1.885 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.161 1.048 -8.181 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.241 3.531 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.947 3.924 -7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.796 3.325 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.416 1.834 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.982 2.135 -9.741 1.00 0.00 H new ATOM 844 N PHE A 58 2.237 4.130 -10.130 1.00 0.00 N ATOM 845 CA PHE A 58 1.932 5.057 -11.257 1.00 0.00 C ATOM 846 C PHE A 58 3.008 6.142 -11.334 1.00 0.00 C ATOM 847 O PHE A 58 3.983 6.118 -10.610 1.00 0.00 O ATOM 848 CB PHE A 58 0.569 5.710 -11.021 1.00 0.00 C ATOM 849 CG PHE A 58 0.602 6.495 -9.731 1.00 0.00 C ATOM 850 CD1 PHE A 58 0.463 5.831 -8.506 1.00 0.00 C ATOM 851 CD2 PHE A 58 0.772 7.884 -9.760 1.00 0.00 C ATOM 852 CE1 PHE A 58 0.494 6.558 -7.309 1.00 0.00 C ATOM 853 CE2 PHE A 58 0.803 8.611 -8.563 1.00 0.00 C ATOM 854 CZ PHE A 58 0.663 7.948 -7.338 1.00 0.00 C ATOM 0 H PHE A 58 2.593 4.575 -9.284 1.00 0.00 H new ATOM 0 HA PHE A 58 1.914 4.498 -12.192 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.321 6.368 -11.853 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.208 4.947 -10.975 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.332 4.759 -8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.879 8.395 -10.705 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.388 6.047 -6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.935 9.683 -8.585 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.685 8.509 -6.415 1.00 0.00 H new ATOM 864 N LYS A 59 2.834 7.095 -12.208 1.00 0.00 N ATOM 865 CA LYS A 59 3.842 8.185 -12.335 1.00 0.00 C ATOM 866 C LYS A 59 3.297 9.271 -13.264 1.00 0.00 C ATOM 867 O LYS A 59 3.589 9.299 -14.443 1.00 0.00 O ATOM 868 CB LYS A 59 5.140 7.616 -12.917 1.00 0.00 C ATOM 869 CG LYS A 59 6.236 7.652 -11.850 1.00 0.00 C ATOM 870 CD LYS A 59 7.410 6.778 -12.297 1.00 0.00 C ATOM 871 CE LYS A 59 8.275 6.428 -11.084 1.00 0.00 C ATOM 872 NZ LYS A 59 7.812 5.138 -10.500 1.00 0.00 N ATOM 0 H LYS A 59 2.037 7.166 -12.840 1.00 0.00 H new ATOM 0 HA LYS A 59 4.044 8.613 -11.353 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.981 6.592 -13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.446 8.196 -13.788 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.571 8.677 -11.692 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.844 7.294 -10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.041 5.867 -12.769 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.006 7.304 -13.043 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.321 6.351 -11.380 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.212 7.220 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.131 5.070 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.773 5.095 -10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.208 4.347 -11.047 1.00 0.00 H new ATOM 886 N THR A 60 2.502 10.166 -12.742 1.00 0.00 N ATOM 887 CA THR A 60 1.936 11.248 -13.595 1.00 0.00 C ATOM 888 C THR A 60 2.840 12.481 -13.530 1.00 0.00 C ATOM 889 O THR A 60 3.480 12.743 -12.532 1.00 0.00 O ATOM 890 CB THR A 60 0.537 11.613 -13.090 1.00 0.00 C ATOM 891 OG1 THR A 60 0.637 12.173 -11.788 1.00 0.00 O ATOM 892 CG2 THR A 60 -0.335 10.358 -13.044 1.00 0.00 C ATOM 0 H THR A 60 2.221 10.194 -11.762 1.00 0.00 H new ATOM 0 HA THR A 60 1.874 10.901 -14.626 1.00 0.00 H new ATOM 0 HB THR A 60 0.085 12.340 -13.764 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.003 11.725 -11.190 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.330 10.619 -12.684 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.411 9.931 -14.044 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.114 9.628 -12.371 1.00 0.00 H new ATOM 900 N TYR A 61 2.895 13.241 -14.590 1.00 0.00 N ATOM 901 CA TYR A 61 3.755 14.457 -14.593 1.00 0.00 C ATOM 902 C TYR A 61 3.208 15.461 -15.608 1.00 0.00 C ATOM 903 O TYR A 61 2.753 15.096 -16.674 1.00 0.00 O ATOM 904 CB TYR A 61 5.185 14.069 -14.977 1.00 0.00 C ATOM 905 CG TYR A 61 6.141 15.138 -14.505 1.00 0.00 C ATOM 906 CD1 TYR A 61 6.653 15.093 -13.202 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.518 16.172 -15.370 1.00 0.00 C ATOM 908 CE1 TYR A 61 7.541 16.084 -12.765 1.00 0.00 C ATOM 909 CE2 TYR A 61 7.405 17.163 -14.933 1.00 0.00 C ATOM 910 CZ TYR A 61 7.917 17.118 -13.631 1.00 0.00 C ATOM 911 OH TYR A 61 8.793 18.095 -13.200 1.00 0.00 O ATOM 0 H TYR A 61 2.381 13.071 -15.454 1.00 0.00 H new ATOM 0 HA TYR A 61 3.756 14.907 -13.600 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.446 13.110 -14.529 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.263 13.948 -16.057 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.363 14.295 -12.535 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.124 16.205 -16.375 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.936 16.051 -11.760 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.694 17.962 -15.600 1.00 0.00 H new ATOM 0 HH TYR A 61 8.950 18.736 -13.924 1.00 0.00 H new ATOM 921 N GLY A 62 3.248 16.726 -15.288 1.00 0.00 N ATOM 922 CA GLY A 62 2.728 17.751 -16.235 1.00 0.00 C ATOM 923 C GLY A 62 1.636 18.576 -15.549 1.00 0.00 C ATOM 924 O GLY A 62 1.876 19.668 -15.074 1.00 0.00 O ATOM 0 H GLY A 62 3.618 17.093 -14.411 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.538 18.402 -16.563 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.327 17.268 -17.126 1.00 0.00 H new ATOM 928 N CYS A 63 0.439 18.061 -15.490 1.00 0.00 N ATOM 929 CA CYS A 63 -0.666 18.816 -14.834 1.00 0.00 C ATOM 930 C CYS A 63 -0.594 18.611 -13.320 1.00 0.00 C ATOM 931 O CYS A 63 -0.379 17.515 -12.842 1.00 0.00 O ATOM 932 CB CYS A 63 -2.011 18.306 -15.354 1.00 0.00 C ATOM 933 SG CYS A 63 -3.267 18.496 -14.063 1.00 0.00 S ATOM 0 H CYS A 63 0.178 17.150 -15.868 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.567 19.877 -15.063 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.303 18.861 -16.245 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -1.928 17.259 -15.644 1.00 0.00 H new ATOM 0 HG CYS A 63 -4.411 18.065 -14.504 1.00 0.00 H new ATOM 939 N GLY A 64 -0.775 19.657 -12.561 1.00 0.00 N ATOM 940 CA GLY A 64 -0.719 19.521 -11.078 1.00 0.00 C ATOM 941 C GLY A 64 -2.117 19.204 -10.543 1.00 0.00 C ATOM 942 O GLY A 64 -2.567 19.782 -9.574 1.00 0.00 O ATOM 0 H GLY A 64 -0.959 20.600 -12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.023 18.729 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.347 20.443 -10.631 1.00 0.00 H new ATOM 946 N SER A 65 -2.804 18.287 -11.167 1.00 0.00 N ATOM 947 CA SER A 65 -4.172 17.931 -10.696 1.00 0.00 C ATOM 948 C SER A 65 -4.498 16.498 -11.123 1.00 0.00 C ATOM 949 O SER A 65 -4.959 15.696 -10.336 1.00 0.00 O ATOM 950 CB SER A 65 -5.189 18.892 -11.312 1.00 0.00 C ATOM 951 OG SER A 65 -5.519 19.898 -10.362 1.00 0.00 O ATOM 0 H SER A 65 -2.477 17.769 -11.983 1.00 0.00 H new ATOM 0 HA SER A 65 -4.215 18.006 -9.609 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.777 19.347 -12.213 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.086 18.349 -11.610 1.00 0.00 H new ATOM 0 HG SER A 65 -4.717 20.145 -9.855 1.00 0.00 H new ATOM 957 N ALA A 66 -4.260 16.170 -12.364 1.00 0.00 N ATOM 958 CA ALA A 66 -4.553 14.789 -12.839 1.00 0.00 C ATOM 959 C ALA A 66 -3.938 13.777 -11.871 1.00 0.00 C ATOM 960 O ALA A 66 -4.257 12.605 -11.898 1.00 0.00 O ATOM 961 CB ALA A 66 -3.954 14.590 -14.232 1.00 0.00 C ATOM 0 H ALA A 66 -3.875 16.799 -13.069 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.632 14.642 -12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.169 13.579 -14.579 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.391 15.311 -14.922 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.875 14.737 -14.188 1.00 0.00 H new ATOM 967 N ILE A 67 -3.058 14.220 -11.016 1.00 0.00 N ATOM 968 CA ILE A 67 -2.424 13.283 -10.048 1.00 0.00 C ATOM 969 C ILE A 67 -3.484 12.760 -9.077 1.00 0.00 C ATOM 970 O ILE A 67 -3.333 11.711 -8.483 1.00 0.00 O ATOM 971 CB ILE A 67 -1.332 14.017 -9.267 1.00 0.00 C ATOM 972 CG1 ILE A 67 -0.218 14.440 -10.229 1.00 0.00 C ATOM 973 CG2 ILE A 67 -0.756 13.087 -8.197 1.00 0.00 C ATOM 974 CD1 ILE A 67 0.263 15.846 -9.865 1.00 0.00 C ATOM 0 H ILE A 67 -2.751 15.190 -10.946 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.982 12.446 -10.588 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.757 14.900 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.611 13.735 -10.175 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.584 14.423 -11.256 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.022 13.610 -7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.549 12.783 -7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.330 12.204 -8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.056 16.148 -10.549 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.569 16.546 -9.942 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.645 15.847 -8.844 1.00 0.00 H new ATOM 986 N ALA A 68 -4.560 13.482 -8.914 1.00 0.00 N ATOM 987 CA ALA A 68 -5.632 13.023 -7.986 1.00 0.00 C ATOM 988 C ALA A 68 -6.319 11.794 -8.580 1.00 0.00 C ATOM 989 O ALA A 68 -6.209 10.698 -8.067 1.00 0.00 O ATOM 990 CB ALA A 68 -6.657 14.142 -7.795 1.00 0.00 C ATOM 0 H ALA A 68 -4.742 14.369 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.196 12.767 -7.020 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.441 13.806 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.164 15.019 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.097 14.400 -8.758 1.00 0.00 H new ATOM 996 N SER A 69 -7.026 11.965 -9.665 1.00 0.00 N ATOM 997 CA SER A 69 -7.716 10.804 -10.293 1.00 0.00 C ATOM 998 C SER A 69 -6.744 9.626 -10.374 1.00 0.00 C ATOM 999 O SER A 69 -7.032 8.538 -9.917 1.00 0.00 O ATOM 1000 CB SER A 69 -8.177 11.183 -11.700 1.00 0.00 C ATOM 1001 OG SER A 69 -7.088 11.755 -12.413 1.00 0.00 O ATOM 0 H SER A 69 -7.155 12.857 -10.142 1.00 0.00 H new ATOM 0 HA SER A 69 -8.582 10.524 -9.693 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.547 10.301 -12.224 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.003 11.892 -11.646 1.00 0.00 H new ATOM 0 HG SER A 69 -7.415 12.149 -13.249 1.00 0.00 H new ATOM 1007 N SER A 70 -5.590 9.835 -10.950 1.00 0.00 N ATOM 1008 CA SER A 70 -4.600 8.727 -11.055 1.00 0.00 C ATOM 1009 C SER A 70 -4.427 8.078 -9.682 1.00 0.00 C ATOM 1010 O SER A 70 -4.208 6.888 -9.568 1.00 0.00 O ATOM 1011 CB SER A 70 -3.259 9.285 -11.530 1.00 0.00 C ATOM 1012 OG SER A 70 -2.698 10.096 -10.506 1.00 0.00 O ATOM 0 H SER A 70 -5.292 10.724 -11.351 1.00 0.00 H new ATOM 0 HA SER A 70 -4.954 7.984 -11.769 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.580 8.469 -11.777 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.397 9.871 -12.439 1.00 0.00 H new ATOM 0 HG SER A 70 -3.411 10.601 -10.061 1.00 0.00 H new ATOM 1018 N SER A 71 -4.527 8.852 -8.635 1.00 0.00 N ATOM 1019 CA SER A 71 -4.374 8.282 -7.267 1.00 0.00 C ATOM 1020 C SER A 71 -5.597 7.425 -6.937 1.00 0.00 C ATOM 1021 O SER A 71 -5.493 6.390 -6.309 1.00 0.00 O ATOM 1022 CB SER A 71 -4.260 9.420 -6.252 1.00 0.00 C ATOM 1023 OG SER A 71 -3.333 9.054 -5.238 1.00 0.00 O ATOM 0 H SER A 71 -4.708 9.855 -8.669 1.00 0.00 H new ATOM 0 HA SER A 71 -3.475 7.667 -7.225 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.932 10.334 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.235 9.629 -5.811 1.00 0.00 H new ATOM 0 HG SER A 71 -3.256 9.782 -4.587 1.00 0.00 H new ATOM 1029 N LEU A 72 -6.757 7.850 -7.358 1.00 0.00 N ATOM 1030 CA LEU A 72 -7.987 7.061 -7.073 1.00 0.00 C ATOM 1031 C LEU A 72 -7.934 5.740 -7.842 1.00 0.00 C ATOM 1032 O LEU A 72 -7.821 4.681 -7.264 1.00 0.00 O ATOM 1033 CB LEU A 72 -9.217 7.860 -7.512 1.00 0.00 C ATOM 1034 CG LEU A 72 -10.489 7.102 -7.124 1.00 0.00 C ATOM 1035 CD1 LEU A 72 -11.214 7.857 -6.007 1.00 0.00 C ATOM 1036 CD2 LEU A 72 -11.409 6.991 -8.342 1.00 0.00 C ATOM 0 H LEU A 72 -6.905 8.710 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.050 6.856 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.211 8.844 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.192 8.021 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.223 6.104 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.120 7.317 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.560 7.937 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.479 8.855 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.315 6.451 -8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.673 7.989 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.895 6.453 -9.139 1.00 0.00 H new ATOM 1048 N ILE A 73 -8.016 5.796 -9.143 1.00 0.00 N ATOM 1049 CA ILE A 73 -7.974 4.542 -9.952 1.00 0.00 C ATOM 1050 C ILE A 73 -6.864 3.622 -9.433 1.00 0.00 C ATOM 1051 O ILE A 73 -7.028 2.420 -9.362 1.00 0.00 O ATOM 1052 CB ILE A 73 -7.698 4.891 -11.416 1.00 0.00 C ATOM 1053 CG1 ILE A 73 -7.435 3.606 -12.206 1.00 0.00 C ATOM 1054 CG2 ILE A 73 -6.471 5.801 -11.502 1.00 0.00 C ATOM 1055 CD1 ILE A 73 -7.193 3.949 -13.678 1.00 0.00 C ATOM 0 H ILE A 73 -8.110 6.656 -9.683 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.933 4.030 -9.869 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.562 5.406 -11.835 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.569 3.086 -11.796 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.285 2.930 -12.115 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.275 6.049 -12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.657 6.716 -10.940 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.606 5.287 -11.083 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.006 3.033 -14.239 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.072 4.450 -14.084 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.329 4.608 -13.761 1.00 0.00 H new ATOM 1067 N THR A 74 -5.735 4.171 -9.079 1.00 0.00 N ATOM 1068 CA THR A 74 -4.618 3.320 -8.576 1.00 0.00 C ATOM 1069 C THR A 74 -5.083 2.516 -7.358 1.00 0.00 C ATOM 1070 O THR A 74 -4.870 1.322 -7.275 1.00 0.00 O ATOM 1071 CB THR A 74 -3.437 4.209 -8.180 1.00 0.00 C ATOM 1072 OG1 THR A 74 -3.925 5.412 -7.602 1.00 0.00 O ATOM 1073 CG2 THR A 74 -2.603 4.535 -9.419 1.00 0.00 C ATOM 0 H THR A 74 -5.537 5.171 -9.116 1.00 0.00 H new ATOM 0 HA THR A 74 -4.310 2.632 -9.363 1.00 0.00 H new ATOM 0 HB THR A 74 -2.814 3.685 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.260 5.229 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.762 5.168 -9.135 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.229 3.611 -9.859 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.222 5.059 -10.147 1.00 0.00 H new ATOM 1081 N GLU A 75 -5.710 3.158 -6.410 1.00 0.00 N ATOM 1082 CA GLU A 75 -6.178 2.426 -5.197 1.00 0.00 C ATOM 1083 C GLU A 75 -7.461 1.655 -5.520 1.00 0.00 C ATOM 1084 O GLU A 75 -7.814 0.708 -4.846 1.00 0.00 O ATOM 1085 CB GLU A 75 -6.452 3.428 -4.073 1.00 0.00 C ATOM 1086 CG GLU A 75 -7.125 2.711 -2.900 1.00 0.00 C ATOM 1087 CD GLU A 75 -6.795 3.442 -1.598 1.00 0.00 C ATOM 1088 OE1 GLU A 75 -6.939 4.654 -1.569 1.00 0.00 O ATOM 1089 OE2 GLU A 75 -6.404 2.779 -0.652 1.00 0.00 O ATOM 0 H GLU A 75 -5.919 4.156 -6.422 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.408 1.723 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.519 3.887 -3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.092 4.232 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.204 2.681 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.782 1.678 -2.846 1.00 0.00 H new ATOM 1096 N TRP A 76 -8.164 2.055 -6.544 1.00 0.00 N ATOM 1097 CA TRP A 76 -9.424 1.349 -6.908 1.00 0.00 C ATOM 1098 C TRP A 76 -9.088 0.088 -7.706 1.00 0.00 C ATOM 1099 O TRP A 76 -9.930 -0.756 -7.938 1.00 0.00 O ATOM 1100 CB TRP A 76 -10.300 2.276 -7.755 1.00 0.00 C ATOM 1101 CG TRP A 76 -11.682 2.325 -7.185 1.00 0.00 C ATOM 1102 CD1 TRP A 76 -11.977 2.524 -5.880 1.00 0.00 C ATOM 1103 CD2 TRP A 76 -12.955 2.180 -7.876 1.00 0.00 C ATOM 1104 NE1 TRP A 76 -13.351 2.507 -5.725 1.00 0.00 N ATOM 1105 CE2 TRP A 76 -13.999 2.298 -6.927 1.00 0.00 C ATOM 1106 CE3 TRP A 76 -13.305 1.957 -9.220 1.00 0.00 C ATOM 1107 CZ2 TRP A 76 -15.340 2.202 -7.299 1.00 0.00 C ATOM 1108 CZ3 TRP A 76 -14.653 1.858 -9.598 1.00 0.00 C ATOM 1109 CH2 TRP A 76 -15.669 1.981 -8.639 1.00 0.00 C ATOM 0 H TRP A 76 -7.919 2.842 -7.145 1.00 0.00 H new ATOM 0 HA TRP A 76 -9.962 1.071 -6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -9.870 3.277 -7.778 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.333 1.920 -8.785 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -11.257 2.672 -5.089 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -13.828 2.633 -4.832 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -12.531 1.861 -9.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -16.118 2.298 -6.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -14.909 1.686 -10.633 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -16.705 1.905 -8.936 1.00 0.00 H new ATOM 1120 N VAL A 77 -7.861 -0.045 -8.131 1.00 0.00 N ATOM 1121 CA VAL A 77 -7.472 -1.251 -8.914 1.00 0.00 C ATOM 1122 C VAL A 77 -6.284 -1.934 -8.232 1.00 0.00 C ATOM 1123 O VAL A 77 -5.561 -2.699 -8.839 1.00 0.00 O ATOM 1124 CB VAL A 77 -7.077 -0.832 -10.331 1.00 0.00 C ATOM 1125 CG1 VAL A 77 -8.216 -0.025 -10.963 1.00 0.00 C ATOM 1126 CG2 VAL A 77 -5.814 0.030 -10.272 1.00 0.00 C ATOM 0 H VAL A 77 -7.112 0.629 -7.970 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.312 -1.944 -8.963 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.885 -1.720 -10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.934 0.273 -11.973 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.117 -0.637 -11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.409 0.864 -10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.531 0.330 -11.281 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.007 0.918 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.003 -0.543 -9.823 1.00 0.00 H new ATOM 1136 N LYS A 78 -6.081 -1.662 -6.972 1.00 0.00 N ATOM 1137 CA LYS A 78 -4.944 -2.292 -6.245 1.00 0.00 C ATOM 1138 C LYS A 78 -5.411 -3.604 -5.610 1.00 0.00 C ATOM 1139 O LYS A 78 -6.029 -3.613 -4.564 1.00 0.00 O ATOM 1140 CB LYS A 78 -4.453 -1.342 -5.150 1.00 0.00 C ATOM 1141 CG LYS A 78 -3.102 -1.826 -4.617 1.00 0.00 C ATOM 1142 CD LYS A 78 -2.920 -1.352 -3.173 1.00 0.00 C ATOM 1143 CE LYS A 78 -1.510 -0.786 -2.990 1.00 0.00 C ATOM 1144 NZ LYS A 78 -0.523 -1.901 -2.987 1.00 0.00 N ATOM 0 H LYS A 78 -6.655 -1.030 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.132 -2.495 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.358 -0.332 -5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.180 -1.298 -4.339 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.050 -2.914 -4.663 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.295 -1.442 -5.241 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.662 -0.590 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.082 -2.182 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.281 -0.086 -3.793 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.449 -0.230 -2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.185 -1.736 -2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.014 -2.799 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.050 -1.948 -3.912 1.00 0.00 H new ATOM 1158 N GLY A 79 -5.121 -4.713 -6.234 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.550 -6.022 -5.665 1.00 0.00 C ATOM 1160 C GLY A 79 -6.803 -6.512 -6.392 1.00 0.00 C ATOM 1161 O GLY A 79 -7.300 -7.590 -6.132 1.00 0.00 O ATOM 0 H GLY A 79 -4.606 -4.769 -7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.749 -6.754 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.753 -5.918 -4.599 1.00 0.00 H new ATOM 1165 N LYS A 80 -7.317 -5.731 -7.302 1.00 0.00 N ATOM 1166 CA LYS A 80 -8.536 -6.157 -8.044 1.00 0.00 C ATOM 1167 C LYS A 80 -8.135 -7.095 -9.186 1.00 0.00 C ATOM 1168 O LYS A 80 -6.968 -7.267 -9.478 1.00 0.00 O ATOM 1169 CB LYS A 80 -9.243 -4.926 -8.617 1.00 0.00 C ATOM 1170 CG LYS A 80 -9.867 -4.115 -7.477 1.00 0.00 C ATOM 1171 CD LYS A 80 -11.384 -4.038 -7.672 1.00 0.00 C ATOM 1172 CE LYS A 80 -11.981 -3.046 -6.670 1.00 0.00 C ATOM 1173 NZ LYS A 80 -12.609 -1.914 -7.406 1.00 0.00 N ATOM 0 H LYS A 80 -6.946 -4.818 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.211 -6.678 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.533 -4.310 -9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.014 -5.233 -9.323 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.637 -4.579 -6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.442 -3.112 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.614 -3.725 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.829 -5.023 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.723 -3.545 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.203 -2.673 -6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.252 -1.400 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.869 -1.268 -7.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.146 -2.282 -8.217 1.00 0.00 H new ATOM 1187 N SER A 81 -9.092 -7.704 -9.830 1.00 0.00 N ATOM 1188 CA SER A 81 -8.763 -8.630 -10.950 1.00 0.00 C ATOM 1189 C SER A 81 -8.727 -7.849 -12.266 1.00 0.00 C ATOM 1190 O SER A 81 -9.412 -6.859 -12.432 1.00 0.00 O ATOM 1191 CB SER A 81 -9.829 -9.723 -11.034 1.00 0.00 C ATOM 1192 OG SER A 81 -10.713 -9.600 -9.927 1.00 0.00 O ATOM 0 H SER A 81 -10.087 -7.601 -9.629 1.00 0.00 H new ATOM 0 HA SER A 81 -7.788 -9.084 -10.772 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.383 -9.636 -11.969 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.359 -10.707 -11.032 1.00 0.00 H new ATOM 0 HG SER A 81 -11.399 -10.298 -9.977 1.00 0.00 H new ATOM 1198 N LEU A 82 -7.932 -8.287 -13.205 1.00 0.00 N ATOM 1199 CA LEU A 82 -7.852 -7.572 -14.509 1.00 0.00 C ATOM 1200 C LEU A 82 -9.255 -7.448 -15.107 1.00 0.00 C ATOM 1201 O LEU A 82 -9.489 -6.669 -16.010 1.00 0.00 O ATOM 1202 CB LEU A 82 -6.956 -8.357 -15.469 1.00 0.00 C ATOM 1203 CG LEU A 82 -5.499 -8.251 -15.011 1.00 0.00 C ATOM 1204 CD1 LEU A 82 -4.644 -9.255 -15.786 1.00 0.00 C ATOM 1205 CD2 LEU A 82 -4.984 -6.833 -15.274 1.00 0.00 C ATOM 0 H LEU A 82 -7.335 -9.110 -13.124 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.433 -6.578 -14.353 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.264 -9.402 -15.498 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.059 -7.966 -16.481 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.437 -8.469 -13.945 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.607 -9.179 -15.459 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.010 -10.265 -15.600 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.705 -9.038 -16.852 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.947 -6.756 -14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.047 -6.615 -16.340 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.592 -6.117 -14.721 1.00 0.00 H new ATOM 1217 N GLU A 83 -10.191 -8.210 -14.610 1.00 0.00 N ATOM 1218 CA GLU A 83 -11.578 -8.135 -15.149 1.00 0.00 C ATOM 1219 C GLU A 83 -12.190 -6.781 -14.788 1.00 0.00 C ATOM 1220 O GLU A 83 -12.972 -6.224 -15.532 1.00 0.00 O ATOM 1221 CB GLU A 83 -12.423 -9.256 -14.538 1.00 0.00 C ATOM 1222 CG GLU A 83 -13.608 -9.561 -15.456 1.00 0.00 C ATOM 1223 CD GLU A 83 -14.650 -10.378 -14.690 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -15.070 -9.928 -13.637 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -15.010 -11.440 -15.170 1.00 0.00 O ATOM 0 H GLU A 83 -10.055 -8.881 -13.854 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.555 -8.247 -16.233 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.815 -10.151 -14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.780 -8.960 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.051 -8.632 -15.816 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.270 -10.114 -16.333 1.00 0.00 H new ATOM 1232 N GLU A 84 -11.837 -6.246 -13.652 1.00 0.00 N ATOM 1233 CA GLU A 84 -12.395 -4.927 -13.244 1.00 0.00 C ATOM 1234 C GLU A 84 -11.508 -3.810 -13.796 1.00 0.00 C ATOM 1235 O GLU A 84 -11.983 -2.852 -14.372 1.00 0.00 O ATOM 1236 CB GLU A 84 -12.434 -4.839 -11.717 1.00 0.00 C ATOM 1237 CG GLU A 84 -13.484 -5.811 -11.177 1.00 0.00 C ATOM 1238 CD GLU A 84 -14.856 -5.134 -11.181 1.00 0.00 C ATOM 1239 OE1 GLU A 84 -15.242 -4.629 -12.223 1.00 0.00 O ATOM 1240 OE2 GLU A 84 -15.497 -5.130 -10.143 1.00 0.00 O ATOM 0 H GLU A 84 -11.186 -6.666 -12.989 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.405 -4.821 -13.639 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.454 -5.078 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.671 -3.821 -11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.510 -6.712 -11.789 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.222 -6.120 -10.165 1.00 0.00 H new ATOM 1247 N ALA A 85 -10.220 -3.927 -13.627 1.00 0.00 N ATOM 1248 CA ALA A 85 -9.303 -2.874 -14.144 1.00 0.00 C ATOM 1249 C ALA A 85 -9.269 -2.939 -15.673 1.00 0.00 C ATOM 1250 O ALA A 85 -8.668 -2.110 -16.327 1.00 0.00 O ATOM 1251 CB ALA A 85 -7.896 -3.105 -13.590 1.00 0.00 C ATOM 0 H ALA A 85 -9.763 -4.706 -13.153 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.658 -1.893 -13.829 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.225 -2.334 -13.969 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.922 -3.061 -12.501 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.537 -4.085 -13.905 1.00 0.00 H new ATOM 1257 N GLY A 86 -9.913 -3.918 -16.247 1.00 0.00 N ATOM 1258 CA GLY A 86 -9.921 -4.039 -17.734 1.00 0.00 C ATOM 1259 C GLY A 86 -11.329 -3.763 -18.261 1.00 0.00 C ATOM 1260 O GLY A 86 -11.745 -4.307 -19.264 1.00 0.00 O ATOM 0 H GLY A 86 -10.435 -4.640 -15.751 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.213 -3.334 -18.171 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.600 -5.038 -18.030 1.00 0.00 H new ATOM 1264 N ALA A 87 -12.067 -2.917 -17.594 1.00 0.00 N ATOM 1265 CA ALA A 87 -13.448 -2.604 -18.056 1.00 0.00 C ATOM 1266 C ALA A 87 -13.803 -1.175 -17.646 1.00 0.00 C ATOM 1267 O ALA A 87 -14.479 -0.461 -18.359 1.00 0.00 O ATOM 1268 CB ALA A 87 -14.437 -3.580 -17.416 1.00 0.00 C ATOM 0 H ALA A 87 -11.772 -2.429 -16.748 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.501 -2.698 -19.141 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -15.447 -3.349 -17.755 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.181 -4.599 -17.705 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -14.389 -3.488 -16.331 1.00 0.00 H new ATOM 1274 N ILE A 88 -13.346 -0.752 -16.498 1.00 0.00 N ATOM 1275 CA ILE A 88 -13.650 0.630 -16.036 1.00 0.00 C ATOM 1276 C ILE A 88 -13.449 1.612 -17.192 1.00 0.00 C ATOM 1277 O ILE A 88 -12.373 1.723 -17.744 1.00 0.00 O ATOM 1278 CB ILE A 88 -12.708 0.994 -14.888 1.00 0.00 C ATOM 1279 CG1 ILE A 88 -11.340 0.353 -15.130 1.00 0.00 C ATOM 1280 CG2 ILE A 88 -13.287 0.479 -13.569 1.00 0.00 C ATOM 1281 CD1 ILE A 88 -10.263 1.156 -14.397 1.00 0.00 C ATOM 0 H ILE A 88 -12.774 -1.306 -15.860 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.684 0.683 -15.694 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.598 2.077 -14.837 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.342 -0.678 -14.778 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.124 0.325 -16.198 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.615 0.739 -12.751 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.262 0.935 -13.397 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.397 -0.604 -13.618 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.288 0.699 -14.569 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.255 2.180 -14.771 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -10.477 1.161 -13.328 1.00 0.00 H new ATOM 1293 N LYS A 89 -14.476 2.327 -17.561 1.00 0.00 N ATOM 1294 CA LYS A 89 -14.341 3.302 -18.680 1.00 0.00 C ATOM 1295 C LYS A 89 -14.023 4.686 -18.113 1.00 0.00 C ATOM 1296 O LYS A 89 -13.927 4.869 -16.916 1.00 0.00 O ATOM 1297 CB LYS A 89 -15.653 3.361 -19.467 1.00 0.00 C ATOM 1298 CG LYS A 89 -15.810 2.085 -20.295 1.00 0.00 C ATOM 1299 CD LYS A 89 -17.231 2.012 -20.856 1.00 0.00 C ATOM 1300 CE LYS A 89 -17.755 0.579 -20.736 1.00 0.00 C ATOM 1301 NZ LYS A 89 -17.005 -0.302 -21.676 1.00 0.00 N ATOM 0 H LYS A 89 -15.402 2.278 -17.136 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.535 2.987 -19.342 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.495 3.469 -18.783 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.659 4.234 -20.120 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.085 2.076 -21.109 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.606 1.211 -19.677 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.883 2.696 -20.313 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.238 2.327 -21.900 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.638 0.221 -19.713 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.821 0.549 -20.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.426 -1.253 -21.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.054 0.093 -22.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.011 -0.362 -21.377 1.00 0.00 H new ATOM 1315 N ASN A 90 -13.859 5.664 -18.962 1.00 0.00 N ATOM 1316 CA ASN A 90 -13.550 7.035 -18.468 1.00 0.00 C ATOM 1317 C ASN A 90 -14.821 7.673 -17.908 1.00 0.00 C ATOM 1318 O ASN A 90 -14.775 8.679 -17.226 1.00 0.00 O ATOM 1319 CB ASN A 90 -13.015 7.887 -19.621 1.00 0.00 C ATOM 1320 CG ASN A 90 -13.348 7.210 -20.952 1.00 0.00 C ATOM 1321 OD1 ASN A 90 -12.831 6.155 -21.258 1.00 0.00 O ATOM 1322 ND2 ASN A 90 -14.198 7.779 -21.764 1.00 0.00 N ATOM 0 H ASN A 90 -13.926 5.572 -19.976 1.00 0.00 H new ATOM 0 HA ASN A 90 -12.797 6.976 -17.683 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -13.457 8.883 -19.587 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.937 8.013 -19.524 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -14.427 7.337 -22.654 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -14.633 8.665 -21.508 1.00 0.00 H new ATOM 1329 N SER A 91 -15.958 7.096 -18.189 1.00 0.00 N ATOM 1330 CA SER A 91 -17.232 7.669 -17.672 1.00 0.00 C ATOM 1331 C SER A 91 -17.455 7.193 -16.236 1.00 0.00 C ATOM 1332 O SER A 91 -17.825 7.959 -15.368 1.00 0.00 O ATOM 1333 CB SER A 91 -18.393 7.204 -18.549 1.00 0.00 C ATOM 1334 OG SER A 91 -19.559 7.945 -18.215 1.00 0.00 O ATOM 0 H SER A 91 -16.059 6.253 -18.754 1.00 0.00 H new ATOM 0 HA SER A 91 -17.177 8.757 -17.691 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.148 7.345 -19.602 1.00 0.00 H new ATOM 0 HB3 SER A 91 -18.571 6.139 -18.403 1.00 0.00 H new ATOM 0 HG SER A 91 -20.306 7.650 -18.777 1.00 0.00 H new ATOM 1340 N GLN A 92 -17.229 5.935 -15.975 1.00 0.00 N ATOM 1341 CA GLN A 92 -17.425 5.414 -14.593 1.00 0.00 C ATOM 1342 C GLN A 92 -16.530 6.198 -13.634 1.00 0.00 C ATOM 1343 O GLN A 92 -16.903 6.482 -12.513 1.00 0.00 O ATOM 1344 CB GLN A 92 -17.054 3.930 -14.547 1.00 0.00 C ATOM 1345 CG GLN A 92 -17.781 3.184 -15.668 1.00 0.00 C ATOM 1346 CD GLN A 92 -17.324 1.725 -15.691 1.00 0.00 C ATOM 1347 OE1 GLN A 92 -17.137 1.130 -16.839 1.00 0.00 O flip ATOM 1348 NE2 GLN A 92 -17.136 1.118 -14.656 1.00 0.00 N flip ATOM 0 H GLN A 92 -16.917 5.245 -16.659 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.468 5.530 -14.299 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -15.976 3.811 -14.657 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.325 3.507 -13.580 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -18.859 3.236 -15.514 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.573 3.656 -16.628 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -17.282 1.582 -13.759 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.832 0.145 -14.684 1.00 0.00 H new ATOM 1357 N ILE A 93 -15.354 6.557 -14.069 1.00 0.00 N ATOM 1358 CA ILE A 93 -14.438 7.331 -13.186 1.00 0.00 C ATOM 1359 C ILE A 93 -14.884 8.793 -13.163 1.00 0.00 C ATOM 1360 O ILE A 93 -14.765 9.474 -12.163 1.00 0.00 O ATOM 1361 CB ILE A 93 -13.009 7.239 -13.724 1.00 0.00 C ATOM 1362 CG1 ILE A 93 -12.619 5.767 -13.879 1.00 0.00 C ATOM 1363 CG2 ILE A 93 -12.049 7.919 -12.746 1.00 0.00 C ATOM 1364 CD1 ILE A 93 -11.103 5.655 -14.044 1.00 0.00 C ATOM 0 H ILE A 93 -14.988 6.348 -14.998 1.00 0.00 H new ATOM 0 HA ILE A 93 -14.468 6.922 -12.176 1.00 0.00 H new ATOM 0 HB ILE A 93 -12.953 7.736 -14.692 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -12.943 5.200 -13.006 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -13.122 5.336 -14.744 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -11.031 7.853 -13.130 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -12.327 8.967 -12.633 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -12.104 7.422 -11.777 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -10.825 4.607 -14.154 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -10.792 6.208 -14.930 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -10.610 6.070 -13.165 1.00 0.00 H new ATOM 1376 N ALA A 94 -15.405 9.280 -14.256 1.00 0.00 N ATOM 1377 CA ALA A 94 -15.866 10.695 -14.292 1.00 0.00 C ATOM 1378 C ALA A 94 -17.038 10.861 -13.323 1.00 0.00 C ATOM 1379 O ALA A 94 -17.343 11.950 -12.878 1.00 0.00 O ATOM 1380 CB ALA A 94 -16.319 11.052 -15.710 1.00 0.00 C ATOM 0 H ALA A 94 -15.531 8.759 -15.124 1.00 0.00 H new ATOM 0 HA ALA A 94 -15.050 11.356 -14.000 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -16.656 12.088 -15.734 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -15.486 10.925 -16.401 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -17.138 10.397 -16.006 1.00 0.00 H new ATOM 1386 N GLU A 95 -17.693 9.782 -12.988 1.00 0.00 N ATOM 1387 CA GLU A 95 -18.841 9.866 -12.044 1.00 0.00 C ATOM 1388 C GLU A 95 -18.345 9.590 -10.624 1.00 0.00 C ATOM 1389 O GLU A 95 -18.820 10.168 -9.665 1.00 0.00 O ATOM 1390 CB GLU A 95 -19.895 8.824 -12.428 1.00 0.00 C ATOM 1391 CG GLU A 95 -20.907 9.447 -13.391 1.00 0.00 C ATOM 1392 CD GLU A 95 -22.120 8.524 -13.527 1.00 0.00 C ATOM 1393 OE1 GLU A 95 -21.997 7.512 -14.197 1.00 0.00 O ATOM 1394 OE2 GLU A 95 -23.150 8.844 -12.957 1.00 0.00 O ATOM 0 H GLU A 95 -17.481 8.844 -13.329 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.283 10.861 -12.091 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -19.416 7.963 -12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -20.404 8.461 -11.535 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -21.220 10.424 -13.024 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -20.447 9.606 -14.366 1.00 0.00 H new ATOM 1401 N GLU A 96 -17.390 8.712 -10.481 1.00 0.00 N ATOM 1402 CA GLU A 96 -16.860 8.398 -9.124 1.00 0.00 C ATOM 1403 C GLU A 96 -16.318 9.677 -8.483 1.00 0.00 C ATOM 1404 O GLU A 96 -16.436 9.883 -7.291 1.00 0.00 O ATOM 1405 CB GLU A 96 -15.732 7.370 -9.243 1.00 0.00 C ATOM 1406 CG GLU A 96 -15.740 6.457 -8.016 1.00 0.00 C ATOM 1407 CD GLU A 96 -16.849 5.414 -8.162 1.00 0.00 C ATOM 1408 OE1 GLU A 96 -17.064 4.960 -9.274 1.00 0.00 O ATOM 1409 OE2 GLU A 96 -17.463 5.087 -7.161 1.00 0.00 O ATOM 0 H GLU A 96 -16.954 8.198 -11.246 1.00 0.00 H new ATOM 0 HA GLU A 96 -17.659 7.990 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -15.859 6.779 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -14.771 7.877 -9.325 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.774 5.963 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.897 7.046 -7.112 1.00 0.00 H new ATOM 1416 N LEU A 97 -15.726 10.536 -9.265 1.00 0.00 N ATOM 1417 CA LEU A 97 -15.177 11.801 -8.703 1.00 0.00 C ATOM 1418 C LEU A 97 -16.079 12.971 -9.102 1.00 0.00 C ATOM 1419 O LEU A 97 -15.865 14.097 -8.698 1.00 0.00 O ATOM 1420 CB LEU A 97 -13.766 12.031 -9.249 1.00 0.00 C ATOM 1421 CG LEU A 97 -12.777 11.130 -8.507 1.00 0.00 C ATOM 1422 CD1 LEU A 97 -11.653 10.715 -9.456 1.00 0.00 C ATOM 1423 CD2 LEU A 97 -12.186 11.893 -7.319 1.00 0.00 C ATOM 0 H LEU A 97 -15.599 10.416 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 97 -15.138 11.730 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -13.739 11.816 -10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -13.484 13.077 -9.127 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.295 10.241 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.949 10.073 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.073 10.172 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -11.134 11.603 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.481 11.252 -6.789 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.668 12.782 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -12.987 12.189 -6.642 1.00 0.00 H new ATOM 1435 N GLU A 98 -17.085 12.715 -9.893 1.00 0.00 N ATOM 1436 CA GLU A 98 -18.000 13.814 -10.314 1.00 0.00 C ATOM 1437 C GLU A 98 -17.175 15.019 -10.772 1.00 0.00 C ATOM 1438 O GLU A 98 -17.389 16.132 -10.335 1.00 0.00 O ATOM 1439 CB GLU A 98 -18.882 14.222 -9.134 1.00 0.00 C ATOM 1440 CG GLU A 98 -19.700 13.016 -8.666 1.00 0.00 C ATOM 1441 CD GLU A 98 -21.128 13.461 -8.342 1.00 0.00 C ATOM 1442 OE1 GLU A 98 -21.753 14.055 -9.205 1.00 0.00 O ATOM 1443 OE2 GLU A 98 -21.571 13.200 -7.236 1.00 0.00 O ATOM 0 H GLU A 98 -17.313 11.793 -10.266 1.00 0.00 H new ATOM 0 HA GLU A 98 -18.627 13.469 -11.136 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.265 14.595 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.547 15.034 -9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.714 12.250 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.238 12.570 -7.785 1.00 0.00 H new ATOM 1450 N LEU A 99 -16.233 14.807 -11.650 1.00 0.00 N ATOM 1451 CA LEU A 99 -15.398 15.942 -12.133 1.00 0.00 C ATOM 1452 C LEU A 99 -16.103 16.635 -13.303 1.00 0.00 C ATOM 1453 O LEU A 99 -16.786 16.005 -14.085 1.00 0.00 O ATOM 1454 CB LEU A 99 -14.038 15.413 -12.597 1.00 0.00 C ATOM 1455 CG LEU A 99 -14.245 14.367 -13.695 1.00 0.00 C ATOM 1456 CD1 LEU A 99 -14.153 15.040 -15.066 1.00 0.00 C ATOM 1457 CD2 LEU A 99 -13.163 13.292 -13.583 1.00 0.00 C ATOM 0 H LEU A 99 -16.006 13.898 -12.053 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.253 16.657 -11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.426 16.233 -12.972 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -13.501 14.973 -11.757 1.00 0.00 H new ATOM 0 HG LEU A 99 -15.228 13.909 -13.580 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.300 14.295 -15.848 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.922 15.808 -15.147 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.170 15.497 -15.182 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -13.309 12.546 -14.364 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -12.181 13.751 -13.698 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -13.227 12.812 -12.607 1.00 0.00 H new ATOM 1469 N PRO A 100 -15.933 17.926 -13.420 1.00 0.00 N ATOM 1470 CA PRO A 100 -16.559 18.727 -14.513 1.00 0.00 C ATOM 1471 C PRO A 100 -15.951 18.406 -15.882 1.00 0.00 C ATOM 1472 O PRO A 100 -14.806 18.012 -15.984 1.00 0.00 O ATOM 1473 CB PRO A 100 -16.268 20.179 -14.124 1.00 0.00 C ATOM 1474 CG PRO A 100 -15.076 20.120 -13.225 1.00 0.00 C ATOM 1475 CD PRO A 100 -15.126 18.764 -12.520 1.00 0.00 C ATOM 0 HA PRO A 100 -17.623 18.513 -14.611 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -16.065 20.788 -15.005 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -17.121 20.628 -13.615 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -14.154 20.225 -13.797 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -15.097 20.934 -12.501 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.127 18.351 -12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.582 18.844 -11.533 1.00 0.00 H new ATOM 1483 N PRO A 101 -16.720 18.572 -16.924 1.00 0.00 N ATOM 1484 CA PRO A 101 -16.266 18.296 -18.318 1.00 0.00 C ATOM 1485 C PRO A 101 -15.222 19.307 -18.802 1.00 0.00 C ATOM 1486 O PRO A 101 -14.996 19.458 -19.987 1.00 0.00 O ATOM 1487 CB PRO A 101 -17.543 18.408 -19.151 1.00 0.00 C ATOM 1488 CG PRO A 101 -18.463 19.273 -18.354 1.00 0.00 C ATOM 1489 CD PRO A 101 -18.112 19.045 -16.885 1.00 0.00 C ATOM 0 HA PRO A 101 -15.781 17.323 -18.396 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -17.338 18.848 -20.127 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.983 17.427 -19.329 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -18.340 20.322 -18.624 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -19.504 19.014 -18.548 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -18.206 19.963 -16.305 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -18.772 18.309 -16.426 1.00 0.00 H new ATOM 1497 N VAL A 102 -14.586 20.000 -17.898 1.00 0.00 N ATOM 1498 CA VAL A 102 -13.557 20.998 -18.308 1.00 0.00 C ATOM 1499 C VAL A 102 -12.808 20.477 -19.537 1.00 0.00 C ATOM 1500 O VAL A 102 -12.320 21.239 -20.349 1.00 0.00 O ATOM 1501 CB VAL A 102 -12.572 21.211 -17.160 1.00 0.00 C ATOM 1502 CG1 VAL A 102 -12.319 19.877 -16.454 1.00 0.00 C ATOM 1503 CG2 VAL A 102 -11.252 21.752 -17.713 1.00 0.00 C ATOM 0 H VAL A 102 -14.734 19.918 -16.892 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.040 21.944 -18.551 1.00 0.00 H new ATOM 0 HB VAL A 102 -12.989 21.926 -16.451 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.616 20.027 -15.634 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.259 19.490 -16.060 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.902 19.163 -17.164 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -10.549 21.904 -16.894 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.834 21.037 -18.422 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -11.431 22.701 -18.218 1.00 0.00 H new ATOM 1513 N LYS A 103 -12.714 19.183 -19.679 1.00 0.00 N ATOM 1514 CA LYS A 103 -11.999 18.608 -20.854 1.00 0.00 C ATOM 1515 C LYS A 103 -12.179 17.089 -20.864 1.00 0.00 C ATOM 1516 O LYS A 103 -12.217 16.465 -21.906 1.00 0.00 O ATOM 1517 CB LYS A 103 -10.509 18.945 -20.763 1.00 0.00 C ATOM 1518 CG LYS A 103 -9.880 18.851 -22.156 1.00 0.00 C ATOM 1519 CD LYS A 103 -9.755 20.253 -22.756 1.00 0.00 C ATOM 1520 CE LYS A 103 -9.671 20.149 -24.281 1.00 0.00 C ATOM 1521 NZ LYS A 103 -8.973 21.349 -24.824 1.00 0.00 N ATOM 0 H LYS A 103 -13.102 18.498 -19.031 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.409 19.030 -21.771 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.376 19.949 -20.359 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.010 18.257 -20.080 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.898 18.382 -22.092 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.492 18.221 -22.801 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.613 20.861 -22.469 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.867 20.750 -22.365 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.135 19.244 -24.565 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.672 20.074 -24.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.916 21.278 -25.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.502 22.206 -24.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.013 21.401 -24.427 1.00 0.00 H new ATOM 1535 N VAL A 104 -12.295 16.489 -19.711 1.00 0.00 N ATOM 1536 CA VAL A 104 -12.477 15.012 -19.650 1.00 0.00 C ATOM 1537 C VAL A 104 -11.179 14.319 -20.075 1.00 0.00 C ATOM 1538 O VAL A 104 -11.109 13.108 -20.153 1.00 0.00 O ATOM 1539 CB VAL A 104 -13.607 14.595 -20.593 1.00 0.00 C ATOM 1540 CG1 VAL A 104 -14.240 13.297 -20.089 1.00 0.00 C ATOM 1541 CG2 VAL A 104 -14.670 15.694 -20.639 1.00 0.00 C ATOM 0 H VAL A 104 -12.271 16.960 -18.806 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.729 14.721 -18.630 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.203 14.439 -21.593 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.045 13.000 -20.761 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -13.485 12.512 -20.058 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.642 13.453 -19.088 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.474 15.395 -21.311 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.073 15.852 -19.639 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.221 16.620 -21.000 1.00 0.00 H new ATOM 1551 N HIS A 105 -10.152 15.075 -20.350 1.00 0.00 N ATOM 1552 CA HIS A 105 -8.863 14.457 -20.768 1.00 0.00 C ATOM 1553 C HIS A 105 -8.291 13.636 -19.610 1.00 0.00 C ATOM 1554 O HIS A 105 -7.710 12.588 -19.808 1.00 0.00 O ATOM 1555 CB HIS A 105 -7.871 15.555 -21.155 1.00 0.00 C ATOM 1556 CG HIS A 105 -7.366 16.236 -19.912 1.00 0.00 C ATOM 1557 ND1 HIS A 105 -8.016 17.326 -19.350 1.00 0.00 N ATOM 1558 CD2 HIS A 105 -6.276 15.996 -19.111 1.00 0.00 C ATOM 1559 CE1 HIS A 105 -7.319 17.696 -18.259 1.00 0.00 C ATOM 1560 NE2 HIS A 105 -6.252 16.919 -18.071 1.00 0.00 N ATOM 0 H HIS A 105 -10.150 16.094 -20.303 1.00 0.00 H new ATOM 0 HA HIS A 105 -9.034 13.805 -21.625 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -7.038 15.127 -21.712 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -8.353 16.281 -21.810 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -5.550 15.212 -19.265 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.591 18.520 -17.616 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.563 16.987 -17.322 1.00 0.00 H new ATOM 1568 N CYS A 106 -8.453 14.103 -18.402 1.00 0.00 N ATOM 1569 CA CYS A 106 -7.919 13.349 -17.233 1.00 0.00 C ATOM 1570 C CYS A 106 -8.540 11.951 -17.201 1.00 0.00 C ATOM 1571 O CYS A 106 -7.847 10.953 -17.201 1.00 0.00 O ATOM 1572 CB CYS A 106 -8.269 14.094 -15.944 1.00 0.00 C ATOM 1573 SG CYS A 106 -8.069 12.980 -14.530 1.00 0.00 S ATOM 0 H CYS A 106 -8.932 14.974 -18.174 1.00 0.00 H new ATOM 0 HA CYS A 106 -6.836 13.262 -17.319 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -7.624 14.965 -15.828 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -9.295 14.460 -15.990 1.00 0.00 H new ATOM 0 HG CYS A 106 -8.364 13.613 -13.434 1.00 0.00 H new ATOM 1579 N SER A 107 -9.842 11.871 -17.172 1.00 0.00 N ATOM 1580 CA SER A 107 -10.506 10.538 -17.138 1.00 0.00 C ATOM 1581 C SER A 107 -10.021 9.693 -18.318 1.00 0.00 C ATOM 1582 O SER A 107 -9.716 8.526 -18.173 1.00 0.00 O ATOM 1583 CB SER A 107 -12.022 10.723 -17.233 1.00 0.00 C ATOM 1584 OG SER A 107 -12.665 9.731 -16.442 1.00 0.00 O ATOM 0 H SER A 107 -10.474 12.671 -17.170 1.00 0.00 H new ATOM 0 HA SER A 107 -10.257 10.033 -16.205 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.301 11.718 -16.887 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.346 10.644 -18.271 1.00 0.00 H new ATOM 0 HG SER A 107 -13.630 9.755 -16.609 1.00 0.00 H new ATOM 1590 N ILE A 108 -9.947 10.271 -19.486 1.00 0.00 N ATOM 1591 CA ILE A 108 -9.480 9.497 -20.671 1.00 0.00 C ATOM 1592 C ILE A 108 -8.094 8.914 -20.386 1.00 0.00 C ATOM 1593 O ILE A 108 -7.805 7.782 -20.719 1.00 0.00 O ATOM 1594 CB ILE A 108 -9.405 10.422 -21.888 1.00 0.00 C ATOM 1595 CG1 ILE A 108 -10.782 10.501 -22.553 1.00 0.00 C ATOM 1596 CG2 ILE A 108 -8.389 9.871 -22.889 1.00 0.00 C ATOM 1597 CD1 ILE A 108 -10.781 11.617 -23.602 1.00 0.00 C ATOM 0 H ILE A 108 -10.189 11.244 -19.671 1.00 0.00 H new ATOM 0 HA ILE A 108 -10.180 8.686 -20.874 1.00 0.00 H new ATOM 0 HB ILE A 108 -9.096 11.417 -21.568 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.026 9.548 -23.021 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.549 10.693 -21.803 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.337 10.531 -23.755 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.408 9.813 -22.417 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.697 8.876 -23.209 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -11.761 11.673 -24.075 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.556 12.569 -23.121 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.025 11.405 -24.358 1.00 0.00 H new ATOM 1609 N LEU A 109 -7.233 9.680 -19.772 1.00 0.00 N ATOM 1610 CA LEU A 109 -5.867 9.170 -19.466 1.00 0.00 C ATOM 1611 C LEU A 109 -5.964 7.989 -18.498 1.00 0.00 C ATOM 1612 O LEU A 109 -5.163 7.078 -18.534 1.00 0.00 O ATOM 1613 CB LEU A 109 -5.037 10.285 -18.824 1.00 0.00 C ATOM 1614 CG LEU A 109 -4.152 10.945 -19.883 1.00 0.00 C ATOM 1615 CD1 LEU A 109 -5.016 11.793 -20.817 1.00 0.00 C ATOM 1616 CD2 LEU A 109 -3.117 11.838 -19.194 1.00 0.00 C ATOM 0 H LEU A 109 -7.417 10.637 -19.469 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.389 8.844 -20.390 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.695 11.027 -18.372 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.420 9.877 -18.023 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.643 10.175 -20.462 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.384 12.263 -21.571 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.754 11.158 -21.307 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.527 12.564 -20.240 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.485 12.310 -19.946 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.628 12.607 -18.615 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.500 11.234 -18.529 1.00 0.00 H new ATOM 1628 N ALA A 110 -6.939 8.000 -17.631 1.00 0.00 N ATOM 1629 CA ALA A 110 -7.083 6.879 -16.659 1.00 0.00 C ATOM 1630 C ALA A 110 -7.423 5.589 -17.409 1.00 0.00 C ATOM 1631 O ALA A 110 -6.668 4.637 -17.401 1.00 0.00 O ATOM 1632 CB ALA A 110 -8.207 7.203 -15.671 1.00 0.00 C ATOM 0 H ALA A 110 -7.641 8.736 -17.553 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.146 6.747 -16.118 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -8.313 6.384 -14.960 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.966 8.121 -15.134 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.142 7.335 -16.215 1.00 0.00 H new ATOM 1638 N GLU A 111 -8.558 5.548 -18.054 1.00 0.00 N ATOM 1639 CA GLU A 111 -8.950 4.319 -18.799 1.00 0.00 C ATOM 1640 C GLU A 111 -7.897 3.999 -19.863 1.00 0.00 C ATOM 1641 O GLU A 111 -7.429 2.882 -19.969 1.00 0.00 O ATOM 1642 CB GLU A 111 -10.304 4.545 -19.475 1.00 0.00 C ATOM 1643 CG GLU A 111 -10.597 3.389 -20.433 1.00 0.00 C ATOM 1644 CD GLU A 111 -10.051 3.726 -21.823 1.00 0.00 C ATOM 1645 OE1 GLU A 111 -10.097 4.889 -22.188 1.00 0.00 O ATOM 1646 OE2 GLU A 111 -9.598 2.816 -22.496 1.00 0.00 O ATOM 0 H GLU A 111 -9.231 6.314 -18.097 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.022 3.484 -18.103 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.090 4.616 -18.723 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.297 5.489 -20.019 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.139 2.472 -20.063 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.671 3.210 -20.486 1.00 0.00 H new ATOM 1653 N ASP A 112 -7.526 4.964 -20.658 1.00 0.00 N ATOM 1654 CA ASP A 112 -6.508 4.708 -21.717 1.00 0.00 C ATOM 1655 C ASP A 112 -5.255 4.089 -21.094 1.00 0.00 C ATOM 1656 O ASP A 112 -4.528 3.358 -21.736 1.00 0.00 O ATOM 1657 CB ASP A 112 -6.137 6.027 -22.399 1.00 0.00 C ATOM 1658 CG ASP A 112 -5.351 5.736 -23.678 1.00 0.00 C ATOM 1659 OD1 ASP A 112 -4.819 4.643 -23.788 1.00 0.00 O ATOM 1660 OD2 ASP A 112 -5.294 6.610 -24.527 1.00 0.00 O ATOM 0 H ASP A 112 -7.883 5.919 -20.621 1.00 0.00 H new ATOM 0 HA ASP A 112 -6.923 4.019 -22.453 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -7.038 6.593 -22.634 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.541 6.642 -21.725 1.00 0.00 H new ATOM 1665 N ALA A 113 -4.992 4.378 -19.848 1.00 0.00 N ATOM 1666 CA ALA A 113 -3.783 3.806 -19.192 1.00 0.00 C ATOM 1667 C ALA A 113 -4.055 2.360 -18.770 1.00 0.00 C ATOM 1668 O ALA A 113 -3.438 1.435 -19.259 1.00 0.00 O ATOM 1669 CB ALA A 113 -3.434 4.639 -17.957 1.00 0.00 C ATOM 0 H ALA A 113 -5.561 4.984 -19.258 1.00 0.00 H new ATOM 0 HA ALA A 113 -2.950 3.824 -19.895 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -2.550 4.222 -17.475 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -3.233 5.668 -18.257 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.270 4.621 -17.258 1.00 0.00 H new ATOM 1675 N ILE A 114 -4.969 2.160 -17.862 1.00 0.00 N ATOM 1676 CA ILE A 114 -5.275 0.775 -17.403 1.00 0.00 C ATOM 1677 C ILE A 114 -5.382 -0.162 -18.612 1.00 0.00 C ATOM 1678 O ILE A 114 -4.909 -1.281 -18.583 1.00 0.00 O ATOM 1679 CB ILE A 114 -6.594 0.776 -16.625 1.00 0.00 C ATOM 1680 CG1 ILE A 114 -6.525 -0.270 -15.511 1.00 0.00 C ATOM 1681 CG2 ILE A 114 -7.758 0.448 -17.564 1.00 0.00 C ATOM 1682 CD1 ILE A 114 -5.815 0.326 -14.293 1.00 0.00 C ATOM 0 H ILE A 114 -5.518 2.896 -17.417 1.00 0.00 H new ATOM 0 HA ILE A 114 -4.474 0.423 -16.753 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.755 1.764 -16.193 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.530 -0.592 -15.238 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.991 -1.154 -15.860 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -8.691 0.451 -17.001 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -7.809 1.196 -18.355 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -7.603 -0.537 -18.005 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -5.766 -0.420 -13.499 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.805 0.626 -14.572 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -6.368 1.196 -13.939 1.00 0.00 H new ATOM 1694 N LYS A 115 -6.001 0.282 -19.673 1.00 0.00 N ATOM 1695 CA LYS A 115 -6.134 -0.591 -20.872 1.00 0.00 C ATOM 1696 C LYS A 115 -4.781 -0.696 -21.578 1.00 0.00 C ATOM 1697 O LYS A 115 -4.415 -1.736 -22.088 1.00 0.00 O ATOM 1698 CB LYS A 115 -7.170 0.006 -21.830 1.00 0.00 C ATOM 1699 CG LYS A 115 -8.383 -0.924 -21.917 1.00 0.00 C ATOM 1700 CD LYS A 115 -8.017 -2.168 -22.731 1.00 0.00 C ATOM 1701 CE LYS A 115 -9.286 -2.783 -23.326 1.00 0.00 C ATOM 1702 NZ LYS A 115 -9.269 -4.258 -23.114 1.00 0.00 N ATOM 0 H LYS A 115 -6.419 1.209 -19.760 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.460 -1.584 -20.564 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.478 0.991 -21.480 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.731 0.141 -22.818 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.705 -1.213 -20.917 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -9.220 -0.404 -22.384 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.321 -1.903 -23.527 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.512 -2.895 -22.096 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.168 -2.348 -22.857 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.347 -2.558 -24.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -10.131 -4.677 -23.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.434 -4.666 -23.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.230 -4.462 -22.095 1.00 0.00 H new ATOM 1716 N ALA A 116 -4.031 0.373 -21.608 1.00 0.00 N ATOM 1717 CA ALA A 116 -2.700 0.328 -22.278 1.00 0.00 C ATOM 1718 C ALA A 116 -1.817 -0.707 -21.582 1.00 0.00 C ATOM 1719 O ALA A 116 -1.046 -1.406 -22.210 1.00 0.00 O ATOM 1720 CB ALA A 116 -2.038 1.704 -22.190 1.00 0.00 C ATOM 0 H ALA A 116 -4.282 1.273 -21.199 1.00 0.00 H new ATOM 0 HA ALA A 116 -2.828 0.053 -23.325 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -1.065 1.672 -22.680 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.668 2.443 -22.684 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -1.908 1.979 -21.143 1.00 0.00 H new ATOM 1726 N ALA A 117 -1.921 -0.811 -20.286 1.00 0.00 N ATOM 1727 CA ALA A 117 -1.088 -1.801 -19.548 1.00 0.00 C ATOM 1728 C ALA A 117 -1.546 -3.218 -19.899 1.00 0.00 C ATOM 1729 O ALA A 117 -0.790 -4.013 -20.419 1.00 0.00 O ATOM 1730 CB ALA A 117 -1.239 -1.573 -18.043 1.00 0.00 C ATOM 0 H ALA A 117 -2.547 -0.253 -19.706 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.043 -1.678 -19.831 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.630 -2.297 -17.502 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -0.911 -0.564 -17.793 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -2.284 -1.695 -17.760 1.00 0.00 H new ATOM 1736 N ILE A 118 -2.780 -3.540 -19.620 1.00 0.00 N ATOM 1737 CA ILE A 118 -3.281 -4.906 -19.943 1.00 0.00 C ATOM 1738 C ILE A 118 -2.698 -5.355 -21.283 1.00 0.00 C ATOM 1739 O ILE A 118 -2.173 -6.444 -21.409 1.00 0.00 O ATOM 1740 CB ILE A 118 -4.808 -4.882 -20.029 1.00 0.00 C ATOM 1741 CG1 ILE A 118 -5.396 -4.834 -18.616 1.00 0.00 C ATOM 1742 CG2 ILE A 118 -5.302 -6.143 -20.743 1.00 0.00 C ATOM 1743 CD1 ILE A 118 -6.896 -4.545 -18.695 1.00 0.00 C ATOM 0 H ILE A 118 -3.461 -2.918 -19.184 1.00 0.00 H new ATOM 0 HA ILE A 118 -2.975 -5.602 -19.162 1.00 0.00 H new ATOM 0 HB ILE A 118 -5.126 -4.002 -20.588 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.224 -5.783 -18.107 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.897 -4.063 -18.029 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.390 -6.124 -20.803 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -4.883 -6.179 -21.749 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -4.985 -7.025 -20.186 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.313 -4.511 -17.689 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.056 -3.586 -19.187 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -7.389 -5.332 -19.266 1.00 0.00 H new ATOM 1755 N ALA A 119 -2.782 -4.524 -22.286 1.00 0.00 N ATOM 1756 CA ALA A 119 -2.228 -4.902 -23.616 1.00 0.00 C ATOM 1757 C ALA A 119 -0.736 -5.211 -23.473 1.00 0.00 C ATOM 1758 O ALA A 119 -0.254 -6.221 -23.945 1.00 0.00 O ATOM 1759 CB ALA A 119 -2.420 -3.744 -24.598 1.00 0.00 C ATOM 0 H ALA A 119 -3.211 -3.599 -22.241 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.748 -5.783 -23.992 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.014 -4.021 -25.571 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -3.483 -3.524 -24.697 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.900 -2.861 -24.226 1.00 0.00 H new ATOM 1765 N ASP A 120 -0.001 -4.348 -22.823 1.00 0.00 N ATOM 1766 CA ASP A 120 1.457 -4.597 -22.649 1.00 0.00 C ATOM 1767 C ASP A 120 1.663 -5.990 -22.053 1.00 0.00 C ATOM 1768 O ASP A 120 2.193 -6.877 -22.692 1.00 0.00 O ATOM 1769 CB ASP A 120 2.046 -3.544 -21.707 1.00 0.00 C ATOM 1770 CG ASP A 120 2.840 -2.521 -22.521 1.00 0.00 C ATOM 1771 OD1 ASP A 120 3.791 -2.921 -23.173 1.00 0.00 O ATOM 1772 OD2 ASP A 120 2.486 -1.354 -22.478 1.00 0.00 O ATOM 0 H ASP A 120 -0.348 -3.484 -22.406 1.00 0.00 H new ATOM 0 HA ASP A 120 1.957 -4.536 -23.616 1.00 0.00 H new ATOM 0 HB2 ASP A 120 1.248 -3.046 -21.156 1.00 0.00 H new ATOM 0 HB3 ASP A 120 2.693 -4.020 -20.970 1.00 0.00 H new ATOM 1777 N TYR A 121 1.243 -6.192 -20.833 1.00 0.00 N ATOM 1778 CA TYR A 121 1.412 -7.530 -20.203 1.00 0.00 C ATOM 1779 C TYR A 121 0.957 -8.610 -21.187 1.00 0.00 C ATOM 1780 O TYR A 121 1.557 -9.660 -21.296 1.00 0.00 O ATOM 1781 CB TYR A 121 0.562 -7.608 -18.933 1.00 0.00 C ATOM 1782 CG TYR A 121 0.257 -9.054 -18.620 1.00 0.00 C ATOM 1783 CD1 TYR A 121 -0.730 -9.733 -19.345 1.00 0.00 C ATOM 1784 CD2 TYR A 121 0.959 -9.716 -17.605 1.00 0.00 C ATOM 1785 CE1 TYR A 121 -1.014 -11.073 -19.057 1.00 0.00 C ATOM 1786 CE2 TYR A 121 0.676 -11.056 -17.317 1.00 0.00 C ATOM 1787 CZ TYR A 121 -0.311 -11.734 -18.042 1.00 0.00 C ATOM 1788 OH TYR A 121 -0.591 -13.056 -17.758 1.00 0.00 O ATOM 0 H TYR A 121 0.791 -5.489 -20.248 1.00 0.00 H new ATOM 0 HA TYR A 121 2.460 -7.684 -19.947 1.00 0.00 H new ATOM 0 HB2 TYR A 121 1.092 -7.148 -18.099 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -0.365 -7.051 -19.068 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -1.272 -9.222 -20.127 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.719 -9.192 -17.044 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -1.775 -11.597 -19.617 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.219 -11.567 -16.536 1.00 0.00 H new ATOM 0 HH TYR A 121 -0.013 -13.363 -17.028 1.00 0.00 H new ATOM 1798 N LYS A 122 -0.101 -8.353 -21.908 1.00 0.00 N ATOM 1799 CA LYS A 122 -0.599 -9.358 -22.889 1.00 0.00 C ATOM 1800 C LYS A 122 0.497 -9.651 -23.916 1.00 0.00 C ATOM 1801 O LYS A 122 0.835 -10.789 -24.171 1.00 0.00 O ATOM 1802 CB LYS A 122 -1.833 -8.800 -23.603 1.00 0.00 C ATOM 1803 CG LYS A 122 -2.793 -9.943 -23.938 1.00 0.00 C ATOM 1804 CD LYS A 122 -3.965 -9.402 -24.763 1.00 0.00 C ATOM 1805 CE LYS A 122 -3.607 -9.445 -26.250 1.00 0.00 C ATOM 1806 NZ LYS A 122 -4.070 -8.192 -26.910 1.00 0.00 N ATOM 0 H LYS A 122 -0.642 -7.490 -21.859 1.00 0.00 H new ATOM 0 HA LYS A 122 -0.864 -10.278 -22.369 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.332 -8.067 -22.969 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.535 -8.283 -24.515 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -2.270 -10.720 -24.496 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -3.162 -10.403 -23.021 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -4.860 -9.996 -24.576 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.193 -8.379 -24.463 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -2.530 -9.556 -26.372 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -4.072 -10.310 -26.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.827 -8.222 -27.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.101 -8.105 -26.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -3.606 -7.374 -26.466 1.00 0.00 H new ATOM 1820 N ALA A 123 1.055 -8.629 -24.507 1.00 0.00 N ATOM 1821 CA ALA A 123 2.128 -8.847 -25.518 1.00 0.00 C ATOM 1822 C ALA A 123 3.320 -9.545 -24.857 1.00 0.00 C ATOM 1823 O ALA A 123 4.268 -9.927 -25.512 1.00 0.00 O ATOM 1824 CB ALA A 123 2.576 -7.497 -26.083 1.00 0.00 C ATOM 0 H ALA A 123 0.814 -7.653 -24.333 1.00 0.00 H new ATOM 0 HA ALA A 123 1.745 -9.471 -26.326 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.361 -7.655 -26.823 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.728 -7.000 -26.554 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.959 -6.873 -25.275 1.00 0.00 H new ATOM 1830 N LYS A 124 3.280 -9.711 -23.564 1.00 0.00 N ATOM 1831 CA LYS A 124 4.412 -10.383 -22.864 1.00 0.00 C ATOM 1832 C LYS A 124 4.075 -11.861 -22.648 1.00 0.00 C ATOM 1833 O LYS A 124 4.360 -12.429 -21.614 1.00 0.00 O ATOM 1834 CB LYS A 124 4.647 -9.702 -21.512 1.00 0.00 C ATOM 1835 CG LYS A 124 6.053 -9.098 -21.480 1.00 0.00 C ATOM 1836 CD LYS A 124 6.226 -8.269 -20.206 1.00 0.00 C ATOM 1837 CE LYS A 124 6.297 -6.784 -20.568 1.00 0.00 C ATOM 1838 NZ LYS A 124 7.386 -6.570 -21.563 1.00 0.00 N ATOM 0 H LYS A 124 2.513 -9.411 -22.962 1.00 0.00 H new ATOM 0 HA LYS A 124 5.315 -10.306 -23.470 1.00 0.00 H new ATOM 0 HB2 LYS A 124 3.902 -8.923 -21.351 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.532 -10.425 -20.704 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.801 -9.890 -21.515 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.211 -8.472 -22.358 1.00 0.00 H new ATOM 0 HD2 LYS A 124 5.393 -8.449 -19.527 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.134 -8.571 -19.684 1.00 0.00 H new ATOM 0 HE2 LYS A 124 5.343 -6.452 -20.979 1.00 0.00 H new ATOM 0 HE3 LYS A 124 6.484 -6.189 -19.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 7.883 -5.682 -21.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.058 -7.363 -21.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 6.978 -6.516 -22.518 1.00 0.00 H new