USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 541 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 56 THR OG1 : rot 130:sc= -0.282 USER MOD Set 1.2: A 66 THR OG1 : rot 73:sc= 0.435 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0768 X(o=-0.077,f=-0.028) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -54:sc= 0.892 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.152 (180deg=-0.656) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.161 F(o=-0.71,f=-0.16) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= -1.2 (180deg=-1.23) USER MOD Single : A 67 MET CE :methyl -153:sc= -2.26! (180deg=-3.99!) USER MOD Single : A 71 MET CE :methyl -152:sc= 0 (180deg=-0.00469) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.182 F(o=-1.1,f=-0.18) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0108 F(o=-0.55,f=-0.011) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 29:sc= 0.336 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 432 N VAL A 31 22.190 -2.391 1.851 1.00 63.44 N ATOM 433 CA VAL A 31 21.256 -2.926 0.867 1.00 13.34 C ATOM 434 C VAL A 31 19.845 -3.011 1.439 1.00 15.03 C ATOM 435 O VAL A 31 19.149 -4.008 1.254 1.00 45.32 O ATOM 436 CB VAL A 31 21.687 -4.323 0.384 1.00 10.42 C ATOM 437 CG1 VAL A 31 23.023 -4.249 -0.340 1.00 73.34 C ATOM 438 CG2 VAL A 31 21.758 -5.292 1.554 1.00 10.12 C ATOM 0 HA VAL A 31 21.262 -2.240 0.020 1.00 13.34 H new ATOM 0 HB VAL A 31 20.940 -4.692 -0.319 1.00 10.42 H new ATOM 0 HG11 VAL A 31 23.311 -5.246 -0.674 1.00 73.34 H new ATOM 0 HG12 VAL A 31 22.933 -3.589 -1.203 1.00 73.34 H new ATOM 0 HG13 VAL A 31 23.783 -3.859 0.337 1.00 73.34 H new ATOM 0 HG21 VAL A 31 22.064 -6.274 1.195 1.00 10.12 H new ATOM 0 HG22 VAL A 31 22.483 -4.930 2.283 1.00 10.12 H new ATOM 0 HG23 VAL A 31 20.778 -5.367 2.024 1.00 10.12 H new ATOM 448 N GLU A 32 19.430 -1.957 2.136 1.00 2.33 N ATOM 449 CA GLU A 32 18.102 -1.913 2.736 1.00 71.41 C ATOM 450 C GLU A 32 17.040 -1.606 1.684 1.00 52.30 C ATOM 451 O GLU A 32 15.864 -1.926 1.861 1.00 2.14 O ATOM 452 CB GLU A 32 18.053 -0.863 3.847 1.00 22.13 C ATOM 453 CG GLU A 32 18.399 0.539 3.374 1.00 22.03 C ATOM 454 CD GLU A 32 18.312 1.567 4.485 1.00 21.04 C ATOM 455 OE1 GLU A 32 18.535 2.764 4.204 1.00 1.10 O ATOM 456 OE2 GLU A 32 18.022 1.177 5.636 1.00 43.32 O ATOM 0 H GLU A 32 19.994 -1.123 2.299 1.00 2.33 H new ATOM 0 HA GLU A 32 17.893 -2.893 3.164 1.00 71.41 H new ATOM 0 HB2 GLU A 32 17.054 -0.854 4.283 1.00 22.13 H new ATOM 0 HB3 GLU A 32 18.744 -1.151 4.639 1.00 22.13 H new ATOM 0 HG2 GLU A 32 19.408 0.540 2.961 1.00 22.03 H new ATOM 0 HG3 GLU A 32 17.724 0.823 2.567 1.00 22.03 H new ATOM 464 N SER A 33 17.463 -0.984 0.589 1.00 2.33 N ATOM 465 CA SER A 33 16.549 -0.628 -0.490 1.00 44.14 C ATOM 466 C SER A 33 16.901 -1.380 -1.770 1.00 4.40 C ATOM 467 O SER A 33 16.053 -1.581 -2.639 1.00 53.33 O ATOM 468 CB SER A 33 16.587 0.880 -0.744 1.00 61.40 C ATOM 469 OG SER A 33 15.497 1.288 -1.552 1.00 4.54 O ATOM 0 H SER A 33 18.433 -0.716 0.425 1.00 2.33 H new ATOM 0 HA SER A 33 15.541 -0.912 -0.187 1.00 44.14 H new ATOM 0 HB2 SER A 33 16.559 1.413 0.206 1.00 61.40 H new ATOM 0 HB3 SER A 33 17.525 1.146 -1.231 1.00 61.40 H new ATOM 0 HG SER A 33 15.543 2.256 -1.699 1.00 4.54 H new ATOM 475 N ASP A 34 18.160 -1.792 -1.879 1.00 43.43 N ATOM 476 CA ASP A 34 18.626 -2.523 -3.052 1.00 10.25 C ATOM 477 C ASP A 34 17.775 -3.764 -3.294 1.00 53.05 C ATOM 478 O ASP A 34 17.661 -4.243 -4.423 1.00 14.11 O ATOM 479 CB ASP A 34 20.093 -2.920 -2.882 1.00 32.01 C ATOM 480 CG ASP A 34 20.728 -3.366 -4.184 1.00 73.34 C ATOM 481 OD1 ASP A 34 20.285 -2.895 -5.252 1.00 10.43 O ATOM 482 OD2 ASP A 34 21.668 -4.186 -4.135 1.00 53.34 O ATOM 0 H ASP A 34 18.875 -1.632 -1.170 1.00 43.43 H new ATOM 0 HA ASP A 34 18.533 -1.868 -3.918 1.00 10.25 H new ATOM 0 HB2 ASP A 34 20.651 -2.074 -2.480 1.00 32.01 H new ATOM 0 HB3 ASP A 34 20.166 -3.726 -2.151 1.00 32.01 H new ATOM 488 N LEU A 35 17.177 -4.282 -2.226 1.00 11.01 N ATOM 489 CA LEU A 35 16.335 -5.470 -2.321 1.00 4.44 C ATOM 490 C LEU A 35 14.884 -5.088 -2.593 1.00 52.15 C ATOM 491 O LEU A 35 14.122 -5.870 -3.160 1.00 41.44 O ATOM 492 CB LEU A 35 16.427 -6.288 -1.032 1.00 50.01 C ATOM 493 CG LEU A 35 16.009 -7.755 -1.138 1.00 41.14 C ATOM 494 CD1 LEU A 35 16.852 -8.477 -2.178 1.00 20.24 C ATOM 495 CD2 LEU A 35 16.126 -8.442 0.215 1.00 14.41 C ATOM 0 H LEU A 35 17.260 -3.898 -1.285 1.00 11.01 H new ATOM 0 HA LEU A 35 16.694 -6.075 -3.154 1.00 4.44 H new ATOM 0 HB2 LEU A 35 17.455 -6.249 -0.673 1.00 50.01 H new ATOM 0 HB3 LEU A 35 15.807 -5.808 -0.275 1.00 50.01 H new ATOM 0 HG LEU A 35 14.967 -7.793 -1.454 1.00 41.14 H new ATOM 0 HD11 LEU A 35 16.540 -9.520 -2.239 1.00 20.24 H new ATOM 0 HD12 LEU A 35 16.718 -8.001 -3.149 1.00 20.24 H new ATOM 0 HD13 LEU A 35 17.903 -8.429 -1.892 1.00 20.24 H new ATOM 0 HD21 LEU A 35 15.824 -9.485 0.121 1.00 14.41 H new ATOM 0 HD22 LEU A 35 17.159 -8.393 0.560 1.00 14.41 H new ATOM 0 HD23 LEU A 35 15.479 -7.941 0.935 1.00 14.41 H new ATOM 507 N ASP A 36 14.509 -3.880 -2.185 1.00 61.52 N ATOM 508 CA ASP A 36 13.149 -3.393 -2.387 1.00 10.12 C ATOM 509 C ASP A 36 12.881 -3.128 -3.864 1.00 45.41 C ATOM 510 O ASP A 36 11.767 -3.326 -4.348 1.00 53.44 O ATOM 511 CB ASP A 36 12.917 -2.117 -1.577 1.00 22.11 C ATOM 512 CG ASP A 36 12.886 -2.376 -0.083 1.00 23.24 C ATOM 513 OD1 ASP A 36 13.094 -3.539 0.322 1.00 63.24 O ATOM 514 OD2 ASP A 36 12.656 -1.416 0.680 1.00 20.44 O ATOM 0 H ASP A 36 15.127 -3.221 -1.713 1.00 61.52 H new ATOM 0 HA ASP A 36 12.458 -4.163 -2.044 1.00 10.12 H new ATOM 0 HB2 ASP A 36 13.706 -1.399 -1.802 1.00 22.11 H new ATOM 0 HB3 ASP A 36 11.975 -1.662 -1.883 1.00 22.11 H new ATOM 520 N MET A 37 13.909 -2.678 -4.576 1.00 64.14 N ATOM 521 CA MET A 37 13.784 -2.386 -6.000 1.00 75.13 C ATOM 522 C MET A 37 13.257 -3.600 -6.759 1.00 53.10 C ATOM 523 O MET A 37 12.632 -3.461 -7.810 1.00 31.33 O ATOM 524 CB MET A 37 15.135 -1.957 -6.575 1.00 41.11 C ATOM 525 CG MET A 37 15.019 -1.098 -7.824 1.00 74.23 C ATOM 526 SD MET A 37 16.432 -1.281 -8.927 1.00 4.11 S ATOM 527 CE MET A 37 15.611 -1.405 -10.514 1.00 54.22 C ATOM 0 H MET A 37 14.838 -2.508 -4.191 1.00 64.14 H new ATOM 0 HA MET A 37 13.072 -1.569 -6.117 1.00 75.13 H new ATOM 0 HB2 MET A 37 15.686 -1.404 -5.814 1.00 41.11 H new ATOM 0 HB3 MET A 37 15.720 -2.846 -6.809 1.00 41.11 H new ATOM 0 HG2 MET A 37 14.108 -1.364 -8.360 1.00 74.23 H new ATOM 0 HG3 MET A 37 14.923 -0.052 -7.533 1.00 74.23 H new ATOM 0 HE1 MET A 37 16.356 -1.523 -11.301 1.00 54.22 H new ATOM 0 HE2 MET A 37 14.945 -2.268 -10.513 1.00 54.22 H new ATOM 0 HE3 MET A 37 15.031 -0.500 -10.696 1.00 54.22 H new ATOM 537 N GLN A 38 13.515 -4.787 -6.220 1.00 44.42 N ATOM 538 CA GLN A 38 13.067 -6.024 -6.849 1.00 73.35 C ATOM 539 C GLN A 38 11.566 -5.987 -7.114 1.00 55.13 C ATOM 540 O GLN A 38 11.073 -6.631 -8.040 1.00 30.30 O ATOM 541 CB GLN A 38 13.412 -7.224 -5.965 1.00 2.30 C ATOM 542 CG GLN A 38 13.743 -8.483 -6.752 1.00 34.23 C ATOM 543 CD GLN A 38 13.372 -9.750 -6.007 1.00 13.33 C ATOM 544 OE1 GLN A 38 12.231 -10.210 -6.071 1.00 23.12 O ATOM 545 NE2 GLN A 38 14.335 -10.322 -5.294 1.00 62.22 N ATOM 0 H GLN A 38 14.031 -4.918 -5.350 1.00 44.42 H new ATOM 0 HA GLN A 38 13.583 -6.125 -7.804 1.00 73.35 H new ATOM 0 HB2 GLN A 38 14.262 -6.967 -5.332 1.00 2.30 H new ATOM 0 HB3 GLN A 38 12.572 -7.430 -5.302 1.00 2.30 H new ATOM 0 HG2 GLN A 38 13.217 -8.460 -7.706 1.00 34.23 H new ATOM 0 HG3 GLN A 38 14.810 -8.497 -6.977 1.00 34.23 H new ATOM 0 HE21 GLN A 38 15.266 -9.907 -5.269 1.00 62.22 H new ATOM 0 HE22 GLN A 38 14.143 -11.177 -4.771 1.00 62.22 H new ATOM 554 N GLN A 39 10.843 -5.230 -6.294 1.00 22.43 N ATOM 555 CA GLN A 39 9.397 -5.111 -6.440 1.00 60.23 C ATOM 556 C GLN A 39 9.033 -4.542 -7.807 1.00 12.23 C ATOM 557 O GLN A 39 7.998 -4.883 -8.377 1.00 71.33 O ATOM 558 CB GLN A 39 8.823 -4.223 -5.335 1.00 30.00 C ATOM 559 CG GLN A 39 9.109 -2.743 -5.534 1.00 52.32 C ATOM 560 CD GLN A 39 8.859 -1.927 -4.281 1.00 51.45 C ATOM 561 OE1 GLN A 39 8.129 -0.934 -4.308 1.00 23.33 O ATOM 562 NE2 GLN A 39 9.464 -2.341 -3.174 1.00 73.23 N ATOM 0 H GLN A 39 11.235 -4.690 -5.522 1.00 22.43 H new ATOM 0 HA GLN A 39 8.965 -6.108 -6.356 1.00 60.23 H new ATOM 0 HB2 GLN A 39 7.745 -4.372 -5.284 1.00 30.00 H new ATOM 0 HB3 GLN A 39 9.235 -4.538 -4.376 1.00 30.00 H new ATOM 0 HG2 GLN A 39 10.146 -2.616 -5.845 1.00 52.32 H new ATOM 0 HG3 GLN A 39 8.485 -2.362 -6.342 1.00 52.32 H new ATOM 0 HE21 GLN A 39 10.060 -3.169 -3.197 1.00 73.23 H new ATOM 0 HE22 GLN A 39 9.333 -1.831 -2.300 1.00 73.23 H new ATOM 571 N ALA A 40 9.891 -3.670 -8.327 1.00 63.11 N ATOM 572 CA ALA A 40 9.660 -3.054 -9.628 1.00 2.04 C ATOM 573 C ALA A 40 9.633 -4.102 -10.734 1.00 4.00 C ATOM 574 O ALA A 40 9.049 -3.884 -11.795 1.00 41.43 O ATOM 575 CB ALA A 40 10.728 -2.008 -9.913 1.00 64.05 C ATOM 0 H ALA A 40 10.752 -3.374 -7.867 1.00 63.11 H new ATOM 0 HA ALA A 40 8.686 -2.565 -9.604 1.00 2.04 H new ATOM 0 HB1 ALA A 40 10.544 -1.556 -10.888 1.00 64.05 H new ATOM 0 HB2 ALA A 40 10.697 -1.237 -9.143 1.00 64.05 H new ATOM 0 HB3 ALA A 40 11.710 -2.481 -9.913 1.00 64.05 H new ATOM 581 N MET A 41 10.270 -5.241 -10.480 1.00 2.44 N ATOM 582 CA MET A 41 10.319 -6.323 -11.456 1.00 42.24 C ATOM 583 C MET A 41 9.036 -7.147 -11.418 1.00 73.44 C ATOM 584 O MET A 41 8.626 -7.726 -12.426 1.00 21.43 O ATOM 585 CB MET A 41 11.526 -7.224 -11.191 1.00 63.22 C ATOM 586 CG MET A 41 12.861 -6.518 -11.360 1.00 43.00 C ATOM 587 SD MET A 41 14.204 -7.654 -11.757 1.00 33.32 S ATOM 588 CE MET A 41 14.660 -7.082 -13.391 1.00 43.32 C ATOM 0 H MET A 41 10.759 -5.438 -9.607 1.00 2.44 H new ATOM 0 HA MET A 41 10.417 -5.881 -12.447 1.00 42.24 H new ATOM 0 HB2 MET A 41 11.459 -7.618 -10.177 1.00 63.22 H new ATOM 0 HB3 MET A 41 11.487 -8.077 -11.868 1.00 63.22 H new ATOM 0 HG2 MET A 41 12.776 -5.773 -12.151 1.00 43.00 H new ATOM 0 HG3 MET A 41 13.103 -5.983 -10.442 1.00 43.00 H new ATOM 0 HE1 MET A 41 15.482 -7.688 -13.773 1.00 43.32 H new ATOM 0 HE2 MET A 41 13.803 -7.170 -14.059 1.00 43.32 H new ATOM 0 HE3 MET A 41 14.973 -6.039 -13.337 1.00 43.32 H new ATOM 598 N LEU A 42 8.405 -7.198 -10.249 1.00 43.12 N ATOM 599 CA LEU A 42 7.168 -7.953 -10.080 1.00 32.12 C ATOM 600 C LEU A 42 5.953 -7.082 -10.383 1.00 10.14 C ATOM 601 O LEU A 42 4.812 -7.498 -10.185 1.00 72.14 O ATOM 602 CB LEU A 42 7.074 -8.502 -8.655 1.00 1.13 C ATOM 603 CG LEU A 42 7.602 -9.921 -8.446 1.00 1.21 C ATOM 604 CD1 LEU A 42 6.709 -10.931 -9.149 1.00 63.42 C ATOM 605 CD2 LEU A 42 9.036 -10.035 -8.945 1.00 72.41 C ATOM 0 H LEU A 42 8.730 -6.726 -9.405 1.00 43.12 H new ATOM 0 HA LEU A 42 7.180 -8.785 -10.784 1.00 32.12 H new ATOM 0 HB2 LEU A 42 7.620 -7.831 -7.992 1.00 1.13 H new ATOM 0 HB3 LEU A 42 6.029 -8.475 -8.345 1.00 1.13 H new ATOM 0 HG LEU A 42 7.592 -10.139 -7.378 1.00 1.21 H new ATOM 0 HD11 LEU A 42 7.100 -11.936 -8.989 1.00 63.42 H new ATOM 0 HD12 LEU A 42 5.699 -10.867 -8.745 1.00 63.42 H new ATOM 0 HD13 LEU A 42 6.687 -10.716 -10.217 1.00 63.42 H new ATOM 0 HD21 LEU A 42 9.396 -11.052 -8.788 1.00 72.41 H new ATOM 0 HD22 LEU A 42 9.071 -9.797 -10.008 1.00 72.41 H new ATOM 0 HD23 LEU A 42 9.669 -9.338 -8.396 1.00 72.41 H new ATOM 617 N THR A 43 6.206 -5.869 -10.866 1.00 63.33 N ATOM 618 CA THR A 43 5.134 -4.940 -11.198 1.00 3.34 C ATOM 619 C THR A 43 5.436 -4.191 -12.491 1.00 41.21 C ATOM 620 O THR A 43 5.312 -2.968 -12.555 1.00 71.32 O ATOM 621 CB THR A 43 4.906 -3.918 -10.067 1.00 4.25 C ATOM 622 OG1 THR A 43 3.843 -3.027 -10.420 1.00 72.13 O ATOM 623 CG2 THR A 43 6.174 -3.121 -9.795 1.00 52.41 C ATOM 0 H THR A 43 7.145 -5.508 -11.036 1.00 63.33 H new ATOM 0 HA THR A 43 4.230 -5.534 -11.329 1.00 3.34 H new ATOM 0 HB THR A 43 4.637 -4.463 -9.162 1.00 4.25 H new ATOM 0 HG1 THR A 43 4.033 -2.620 -11.291 1.00 72.13 H new ATOM 0 HG21 THR A 43 5.989 -2.406 -8.993 1.00 52.41 H new ATOM 0 HG22 THR A 43 6.974 -3.800 -9.499 1.00 52.41 H new ATOM 0 HG23 THR A 43 6.468 -2.586 -10.698 1.00 52.41 H new ATOM 631 N ASN A 44 5.833 -4.933 -13.520 1.00 11.03 N ATOM 632 CA ASN A 44 6.152 -4.337 -14.813 1.00 35.34 C ATOM 633 C ASN A 44 5.016 -3.441 -15.295 1.00 32.01 C ATOM 634 O ASN A 44 3.924 -3.918 -15.608 1.00 2.32 O ATOM 635 CB ASN A 44 6.429 -5.431 -15.846 1.00 11.40 C ATOM 636 CG ASN A 44 6.348 -4.914 -17.270 1.00 65.22 C ATOM 637 OD1 ASN A 44 5.463 -5.302 -18.034 1.00 1.13 O ATOM 638 ND2 ASN A 44 7.274 -4.034 -17.633 1.00 64.03 N ATOM 0 H ASN A 44 5.941 -5.947 -13.484 1.00 11.03 H new ATOM 0 HA ASN A 44 7.046 -3.725 -14.693 1.00 35.34 H new ATOM 0 HB2 ASN A 44 7.419 -5.851 -15.670 1.00 11.40 H new ATOM 0 HB3 ASN A 44 5.712 -6.241 -15.715 1.00 11.40 H new ATOM 0 HD21 ASN A 44 7.271 -3.651 -18.578 1.00 64.03 H new ATOM 0 HD22 ASN A 44 7.988 -3.741 -16.966 1.00 64.03 H new ATOM 718 N VAL A 49 -0.103 2.815 -18.579 1.00 75.43 N ATOM 719 CA VAL A 49 -0.408 2.549 -17.177 1.00 51.41 C ATOM 720 C VAL A 49 -0.161 3.784 -16.318 1.00 13.11 C ATOM 721 O VAL A 49 -0.794 3.967 -15.277 1.00 70.43 O ATOM 722 CB VAL A 49 0.435 1.382 -16.632 1.00 21.31 C ATOM 723 CG1 VAL A 49 0.182 1.190 -15.144 1.00 5.22 C ATOM 724 CG2 VAL A 49 0.135 0.104 -17.401 1.00 50.33 C ATOM 0 HA VAL A 49 -1.463 2.280 -17.127 1.00 51.41 H new ATOM 0 HB VAL A 49 1.489 1.623 -16.769 1.00 21.31 H new ATOM 0 HG11 VAL A 49 0.786 0.361 -14.776 1.00 5.22 H new ATOM 0 HG12 VAL A 49 0.451 2.101 -14.609 1.00 5.22 H new ATOM 0 HG13 VAL A 49 -0.873 0.971 -14.980 1.00 5.22 H new ATOM 0 HG21 VAL A 49 0.740 -0.711 -17.003 1.00 50.33 H new ATOM 0 HG22 VAL A 49 -0.921 -0.144 -17.297 1.00 50.33 H new ATOM 0 HG23 VAL A 49 0.372 0.250 -18.455 1.00 50.33 H new ATOM 734 N LEU A 50 0.762 4.632 -16.760 1.00 72.44 N ATOM 735 CA LEU A 50 1.092 5.852 -16.031 1.00 25.21 C ATOM 736 C LEU A 50 -0.069 6.841 -16.070 1.00 64.23 C ATOM 737 O LEU A 50 -0.215 7.679 -15.180 1.00 43.33 O ATOM 738 CB LEU A 50 2.347 6.496 -16.621 1.00 11.53 C ATOM 739 CG LEU A 50 3.466 5.538 -17.032 1.00 53.42 C ATOM 740 CD1 LEU A 50 4.692 6.312 -17.490 1.00 55.42 C ATOM 741 CD2 LEU A 50 3.819 4.607 -15.882 1.00 11.43 C ATOM 0 H LEU A 50 1.295 4.497 -17.619 1.00 72.44 H new ATOM 0 HA LEU A 50 1.282 5.586 -14.991 1.00 25.21 H new ATOM 0 HB2 LEU A 50 2.055 7.078 -17.495 1.00 11.53 H new ATOM 0 HB3 LEU A 50 2.748 7.198 -15.890 1.00 11.53 H new ATOM 0 HG LEU A 50 3.112 4.934 -17.867 1.00 53.42 H new ATOM 0 HD11 LEU A 50 5.477 5.613 -17.778 1.00 55.42 H new ATOM 0 HD12 LEU A 50 4.430 6.936 -18.345 1.00 55.42 H new ATOM 0 HD13 LEU A 50 5.049 6.943 -16.676 1.00 55.42 H new ATOM 0 HD21 LEU A 50 4.617 3.932 -16.192 1.00 11.43 H new ATOM 0 HD22 LEU A 50 4.153 5.195 -15.027 1.00 11.43 H new ATOM 0 HD23 LEU A 50 2.941 4.026 -15.602 1.00 11.43 H new ATOM 753 N LYS A 51 -0.893 6.736 -17.107 1.00 43.23 N ATOM 754 CA LYS A 51 -2.044 7.618 -17.262 1.00 74.10 C ATOM 755 C LYS A 51 -3.070 7.373 -16.159 1.00 64.13 C ATOM 756 O LYS A 51 -3.659 8.313 -15.627 1.00 54.02 O ATOM 757 CB LYS A 51 -2.693 7.409 -18.632 1.00 31.22 C ATOM 758 CG LYS A 51 -1.748 7.655 -19.796 1.00 74.40 C ATOM 759 CD LYS A 51 -1.759 9.113 -20.224 1.00 64.23 C ATOM 760 CE LYS A 51 -3.017 9.453 -21.007 1.00 15.31 C ATOM 761 NZ LYS A 51 -3.138 8.638 -22.247 1.00 62.21 N ATOM 0 H LYS A 51 -0.785 6.049 -17.853 1.00 43.23 H new ATOM 0 HA LYS A 51 -1.694 8.647 -17.186 1.00 74.10 H new ATOM 0 HB2 LYS A 51 -3.073 6.389 -18.693 1.00 31.22 H new ATOM 0 HB3 LYS A 51 -3.551 8.075 -18.724 1.00 31.22 H new ATOM 0 HG2 LYS A 51 -0.736 7.366 -19.512 1.00 74.40 H new ATOM 0 HG3 LYS A 51 -2.035 7.025 -20.638 1.00 74.40 H new ATOM 0 HD2 LYS A 51 -1.693 9.752 -19.344 1.00 64.23 H new ATOM 0 HD3 LYS A 51 -0.881 9.321 -20.836 1.00 64.23 H new ATOM 0 HE2 LYS A 51 -3.892 9.288 -20.378 1.00 15.31 H new ATOM 0 HE3 LYS A 51 -3.007 10.511 -21.268 1.00 15.31 H new ATOM 0 HZ1 LYS A 51 -3.748 9.132 -22.929 1.00 62.21 H new ATOM 0 HZ2 LYS A 51 -2.196 8.498 -22.664 1.00 62.21 H new ATOM 0 HZ3 LYS A 51 -3.555 7.714 -22.016 1.00 62.21 H new ATOM 775 N ALA A 52 -3.276 6.104 -15.821 1.00 53.42 N ATOM 776 CA ALA A 52 -4.228 5.737 -14.780 1.00 24.23 C ATOM 777 C ALA A 52 -3.811 6.307 -13.429 1.00 24.44 C ATOM 778 O ALA A 52 -4.641 6.818 -12.676 1.00 52.32 O ATOM 779 CB ALA A 52 -4.362 4.223 -14.698 1.00 25.12 C ATOM 0 H ALA A 52 -2.797 5.314 -16.253 1.00 53.42 H new ATOM 0 HA ALA A 52 -5.197 6.163 -15.041 1.00 24.23 H new ATOM 0 HB1 ALA A 52 -5.076 3.963 -13.917 1.00 25.12 H new ATOM 0 HB2 ALA A 52 -4.714 3.837 -15.654 1.00 25.12 H new ATOM 0 HB3 ALA A 52 -3.392 3.784 -14.464 1.00 25.12 H new ATOM 785 N LEU A 53 -2.520 6.217 -13.126 1.00 43.31 N ATOM 786 CA LEU A 53 -1.993 6.723 -11.865 1.00 34.43 C ATOM 787 C LEU A 53 -2.275 8.215 -11.717 1.00 31.40 C ATOM 788 O LEU A 53 -2.280 8.747 -10.607 1.00 14.21 O ATOM 789 CB LEU A 53 -0.487 6.468 -11.779 1.00 60.45 C ATOM 790 CG LEU A 53 -0.033 5.035 -12.065 1.00 24.24 C ATOM 791 CD1 LEU A 53 1.486 4.947 -12.068 1.00 12.54 C ATOM 792 CD2 LEU A 53 -0.622 4.075 -11.044 1.00 30.32 C ATOM 0 H LEU A 53 -1.819 5.798 -13.738 1.00 43.31 H new ATOM 0 HA LEU A 53 -2.492 6.194 -11.053 1.00 34.43 H new ATOM 0 HB2 LEU A 53 0.015 7.134 -12.481 1.00 60.45 H new ATOM 0 HB3 LEU A 53 -0.148 6.743 -10.780 1.00 60.45 H new ATOM 0 HG LEU A 53 -0.395 4.750 -13.053 1.00 24.24 H new ATOM 0 HD11 LEU A 53 1.791 3.921 -12.273 1.00 12.54 H new ATOM 0 HD12 LEU A 53 1.887 5.605 -12.839 1.00 12.54 H new ATOM 0 HD13 LEU A 53 1.870 5.252 -11.095 1.00 12.54 H new ATOM 0 HD21 LEU A 53 -0.288 3.061 -11.263 1.00 30.32 H new ATOM 0 HD22 LEU A 53 -0.291 4.358 -10.045 1.00 30.32 H new ATOM 0 HD23 LEU A 53 -1.710 4.117 -11.091 1.00 30.32 H new ATOM 804 N GLU A 54 -2.513 8.882 -12.841 1.00 42.22 N ATOM 805 CA GLU A 54 -2.798 10.312 -12.836 1.00 34.24 C ATOM 806 C GLU A 54 -4.145 10.595 -12.178 1.00 52.15 C ATOM 807 O GLU A 54 -4.300 11.577 -11.452 1.00 31.11 O ATOM 808 CB GLU A 54 -2.788 10.863 -14.263 1.00 70.10 C ATOM 809 CG GLU A 54 -1.533 10.510 -15.043 1.00 61.20 C ATOM 810 CD GLU A 54 -0.271 10.650 -14.212 1.00 45.44 C ATOM 811 OE1 GLU A 54 0.090 9.679 -13.515 1.00 74.35 O ATOM 812 OE2 GLU A 54 0.355 11.729 -14.261 1.00 41.12 O ATOM 0 H GLU A 54 -2.514 8.455 -13.767 1.00 42.22 H new ATOM 0 HA GLU A 54 -2.019 10.810 -12.258 1.00 34.24 H new ATOM 0 HB2 GLU A 54 -3.657 10.480 -14.797 1.00 70.10 H new ATOM 0 HB3 GLU A 54 -2.889 11.948 -14.225 1.00 70.10 H new ATOM 0 HG2 GLU A 54 -1.612 9.486 -15.407 1.00 61.20 H new ATOM 0 HG3 GLU A 54 -1.460 11.155 -15.919 1.00 61.20 H new ATOM 820 N ARG A 55 -5.118 9.729 -12.440 1.00 71.14 N ATOM 821 CA ARG A 55 -6.453 9.886 -11.876 1.00 51.34 C ATOM 822 C ARG A 55 -6.484 9.442 -10.417 1.00 64.01 C ATOM 823 O ARG A 55 -7.206 10.011 -9.598 1.00 23.41 O ATOM 824 CB ARG A 55 -7.471 9.079 -12.687 1.00 22.04 C ATOM 825 CG ARG A 55 -8.818 8.933 -12.000 1.00 60.23 C ATOM 826 CD ARG A 55 -9.453 10.287 -11.723 1.00 44.32 C ATOM 827 NE ARG A 55 -10.889 10.283 -11.989 1.00 62.34 N ATOM 828 CZ ARG A 55 -11.704 11.274 -11.643 1.00 4.10 C ATOM 829 NH1 ARG A 55 -11.225 12.344 -11.025 1.00 35.45 N ATOM 830 NH2 ARG A 55 -12.999 11.197 -11.919 1.00 41.24 N ATOM 0 H ARG A 55 -5.007 8.911 -13.039 1.00 71.14 H new ATOM 0 HA ARG A 55 -6.716 10.943 -11.922 1.00 51.34 H new ATOM 0 HB2 ARG A 55 -7.616 9.560 -13.654 1.00 22.04 H new ATOM 0 HB3 ARG A 55 -7.063 8.087 -12.883 1.00 22.04 H new ATOM 0 HG2 ARG A 55 -9.484 8.339 -12.626 1.00 60.23 H new ATOM 0 HG3 ARG A 55 -8.693 8.390 -11.063 1.00 60.23 H new ATOM 0 HD2 ARG A 55 -9.278 10.564 -10.683 1.00 44.32 H new ATOM 0 HD3 ARG A 55 -8.972 11.046 -12.340 1.00 44.32 H new ATOM 0 HE ARG A 55 -11.288 9.475 -12.467 1.00 62.34 H new ATOM 0 HH11 ARG A 55 -10.229 12.408 -10.814 1.00 35.45 H new ATOM 0 HH12 ARG A 55 -11.852 13.104 -10.760 1.00 35.45 H new ATOM 0 HH21 ARG A 55 -13.371 10.376 -12.397 1.00 41.24 H new ATOM 0 HH22 ARG A 55 -13.623 11.958 -11.653 1.00 41.24 H new ATOM 844 N THR A 56 -5.694 8.421 -10.098 1.00 41.11 N ATOM 845 CA THR A 56 -5.630 7.899 -8.738 1.00 53.20 C ATOM 846 C THR A 56 -4.839 8.830 -7.828 1.00 5.55 C ATOM 847 O THR A 56 -5.252 9.115 -6.704 1.00 43.10 O ATOM 848 CB THR A 56 -4.990 6.499 -8.703 1.00 51.23 C ATOM 849 OG1 THR A 56 -3.571 6.605 -8.858 1.00 21.23 O ATOM 850 CG2 THR A 56 -5.561 5.616 -9.803 1.00 63.24 C ATOM 0 H THR A 56 -5.089 7.939 -10.763 1.00 41.11 H new ATOM 0 HA THR A 56 -6.656 7.830 -8.378 1.00 53.20 H new ATOM 0 HB THR A 56 -5.216 6.044 -7.739 1.00 51.23 H new ATOM 0 HG1 THR A 56 -3.126 6.091 -8.153 1.00 21.23 H new ATOM 0 HG21 THR A 56 -5.094 4.632 -9.759 1.00 63.24 H new ATOM 0 HG22 THR A 56 -6.637 5.513 -9.665 1.00 63.24 H new ATOM 0 HG23 THR A 56 -5.361 6.069 -10.774 1.00 63.24 H new ATOM 858 N ARG A 57 -3.698 9.303 -8.321 1.00 63.13 N ATOM 859 CA ARG A 57 -2.848 10.202 -7.551 1.00 5.42 C ATOM 860 C ARG A 57 -3.636 11.416 -7.068 1.00 40.33 C ATOM 861 O ARG A 57 -3.301 12.021 -6.051 1.00 24.24 O ATOM 862 CB ARG A 57 -1.655 10.659 -8.395 1.00 42.15 C ATOM 863 CG ARG A 57 -2.037 11.581 -9.540 1.00 53.32 C ATOM 864 CD ARG A 57 -0.830 12.333 -10.076 1.00 23.35 C ATOM 865 NE ARG A 57 0.296 11.442 -10.345 1.00 44.31 N ATOM 866 CZ ARG A 57 1.520 11.870 -10.630 1.00 24.43 C ATOM 867 NH1 ARG A 57 1.777 13.170 -10.682 1.00 41.13 N ATOM 868 NH2 ARG A 57 2.492 10.996 -10.863 1.00 24.13 N ATOM 0 H ARG A 57 -3.342 9.078 -9.250 1.00 63.13 H new ATOM 0 HA ARG A 57 -2.482 9.658 -6.680 1.00 5.42 H new ATOM 0 HB2 ARG A 57 -0.940 11.171 -7.751 1.00 42.15 H new ATOM 0 HB3 ARG A 57 -1.149 9.782 -8.799 1.00 42.15 H new ATOM 0 HG2 ARG A 57 -2.490 10.998 -10.342 1.00 53.32 H new ATOM 0 HG3 ARG A 57 -2.789 12.293 -9.200 1.00 53.32 H new ATOM 0 HD2 ARG A 57 -1.106 12.855 -10.992 1.00 23.35 H new ATOM 0 HD3 ARG A 57 -0.527 13.093 -9.355 1.00 23.35 H new ATOM 0 HE ARG A 57 0.133 10.436 -10.312 1.00 44.31 H new ATOM 0 HH11 ARG A 57 1.033 13.844 -10.503 1.00 41.13 H new ATOM 0 HH12 ARG A 57 2.719 13.495 -10.901 1.00 41.13 H new ATOM 0 HH21 ARG A 57 2.298 9.995 -10.823 1.00 24.13 H new ATOM 0 HH22 ARG A 57 3.432 11.325 -11.082 1.00 24.13 H new ATOM 882 N GLN A 58 -4.685 11.766 -7.807 1.00 72.32 N ATOM 883 CA GLN A 58 -5.520 12.908 -7.454 1.00 70.53 C ATOM 884 C GLN A 58 -6.245 12.665 -6.134 1.00 41.21 C ATOM 885 O GLN A 58 -6.380 13.571 -5.311 1.00 22.35 O ATOM 886 CB GLN A 58 -6.535 13.186 -8.563 1.00 5.22 C ATOM 887 CG GLN A 58 -5.923 13.826 -9.800 1.00 53.33 C ATOM 888 CD GLN A 58 -5.521 15.269 -9.573 1.00 55.24 C ATOM 889 OE1 GLN A 58 -4.336 15.473 -9.013 1.00 61.21 O flip ATOM 890 NE2 GLN A 58 -6.270 16.193 -9.896 1.00 24.22 N flip ATOM 0 H GLN A 58 -4.976 11.275 -8.653 1.00 72.32 H new ATOM 0 HA GLN A 58 -4.873 13.777 -7.337 1.00 70.53 H new ATOM 0 HB2 GLN A 58 -7.015 12.250 -8.848 1.00 5.22 H new ATOM 0 HB3 GLN A 58 -7.316 13.840 -8.174 1.00 5.22 H new ATOM 0 HG2 GLN A 58 -5.048 13.253 -10.105 1.00 53.33 H new ATOM 0 HG3 GLN A 58 -6.638 13.777 -10.621 1.00 53.33 H new ATOM 0 HE21 GLN A 58 -7.173 15.991 -10.324 1.00 24.22 H new ATOM 0 HE22 GLN A 58 -5.986 17.159 -9.735 1.00 24.22 H new ATOM 899 N LEU A 59 -6.712 11.436 -5.938 1.00 4.41 N ATOM 900 CA LEU A 59 -7.424 11.074 -4.719 1.00 53.34 C ATOM 901 C LEU A 59 -6.465 10.514 -3.673 1.00 42.33 C ATOM 902 O LEU A 59 -6.890 9.944 -2.669 1.00 33.13 O ATOM 903 CB LEU A 59 -8.515 10.047 -5.028 1.00 60.23 C ATOM 904 CG LEU A 59 -9.396 10.347 -6.241 1.00 42.50 C ATOM 905 CD1 LEU A 59 -9.399 9.170 -7.204 1.00 2.45 C ATOM 906 CD2 LEU A 59 -10.814 10.682 -5.801 1.00 41.22 C ATOM 0 H LEU A 59 -6.610 10.674 -6.608 1.00 4.41 H new ATOM 0 HA LEU A 59 -7.885 11.976 -4.316 1.00 53.34 H new ATOM 0 HB2 LEU A 59 -8.041 9.077 -5.180 1.00 60.23 H new ATOM 0 HB3 LEU A 59 -9.157 9.954 -4.152 1.00 60.23 H new ATOM 0 HG LEU A 59 -8.984 11.213 -6.759 1.00 42.50 H new ATOM 0 HD11 LEU A 59 -10.031 9.402 -8.061 1.00 2.45 H new ATOM 0 HD12 LEU A 59 -8.382 8.977 -7.545 1.00 2.45 H new ATOM 0 HD13 LEU A 59 -9.786 8.286 -6.697 1.00 2.45 H new ATOM 0 HD21 LEU A 59 -11.427 10.893 -6.678 1.00 41.22 H new ATOM 0 HD22 LEU A 59 -11.236 9.836 -5.258 1.00 41.22 H new ATOM 0 HD23 LEU A 59 -10.796 11.557 -5.152 1.00 41.22 H new ATOM 918 N ASP A 60 -5.170 10.683 -3.916 1.00 42.23 N ATOM 919 CA ASP A 60 -4.150 10.198 -2.994 1.00 14.21 C ATOM 920 C ASP A 60 -4.169 8.674 -2.915 1.00 2.35 C ATOM 921 O ASP A 60 -4.652 8.101 -1.939 1.00 71.24 O ATOM 922 CB ASP A 60 -4.363 10.796 -1.603 1.00 73.23 C ATOM 923 CG ASP A 60 -4.828 12.238 -1.658 1.00 15.10 C ATOM 924 OD1 ASP A 60 -5.713 12.608 -0.856 1.00 42.25 O ATOM 925 OD2 ASP A 60 -4.308 12.997 -2.500 1.00 4.31 O ATOM 0 H ASP A 60 -4.802 11.152 -4.744 1.00 42.23 H new ATOM 0 HA ASP A 60 -3.176 10.512 -3.370 1.00 14.21 H new ATOM 0 HB2 ASP A 60 -5.099 10.200 -1.063 1.00 73.23 H new ATOM 0 HB3 ASP A 60 -3.432 10.739 -1.040 1.00 73.23 H new ATOM 931 N ILE A 61 -3.641 8.027 -3.948 1.00 44.20 N ATOM 932 CA ILE A 61 -3.597 6.571 -3.995 1.00 41.34 C ATOM 933 C ILE A 61 -2.201 6.074 -4.350 1.00 3.43 C ATOM 934 O ILE A 61 -1.574 6.535 -5.305 1.00 74.24 O ATOM 935 CB ILE A 61 -4.605 6.010 -5.017 1.00 0.43 C ATOM 936 CG1 ILE A 61 -5.986 6.632 -4.798 1.00 61.33 C ATOM 937 CG2 ILE A 61 -4.677 4.495 -4.912 1.00 65.45 C ATOM 938 CD1 ILE A 61 -6.987 6.272 -5.874 1.00 33.35 C ATOM 0 H ILE A 61 -3.238 8.488 -4.764 1.00 44.20 H new ATOM 0 HA ILE A 61 -3.864 6.215 -3.000 1.00 41.34 H new ATOM 0 HB ILE A 61 -4.266 6.269 -6.020 1.00 0.43 H new ATOM 0 HG12 ILE A 61 -6.372 6.309 -3.831 1.00 61.33 H new ATOM 0 HG13 ILE A 61 -5.885 7.716 -4.755 1.00 61.33 H new ATOM 0 HG21 ILE A 61 -5.393 4.113 -5.640 1.00 65.45 H new ATOM 0 HG22 ILE A 61 -3.694 4.069 -5.113 1.00 65.45 H new ATOM 0 HG23 ILE A 61 -4.996 4.215 -3.908 1.00 65.45 H new ATOM 0 HD11 ILE A 61 -7.943 6.747 -5.655 1.00 33.35 H new ATOM 0 HD12 ILE A 61 -6.623 6.619 -6.841 1.00 33.35 H new ATOM 0 HD13 ILE A 61 -7.117 5.190 -5.902 1.00 33.35 H new ATOM 950 N PRO A 62 -1.699 5.109 -3.566 1.00 30.35 N ATOM 951 CA PRO A 62 -0.371 4.526 -3.778 1.00 24.03 C ATOM 952 C PRO A 62 -0.309 3.670 -5.038 1.00 64.55 C ATOM 953 O PRO A 62 -1.214 2.880 -5.308 1.00 41.01 O ATOM 954 CB PRO A 62 -0.159 3.662 -2.533 1.00 12.01 C ATOM 955 CG PRO A 62 -1.533 3.324 -2.067 1.00 52.54 C ATOM 956 CD PRO A 62 -2.389 4.513 -2.410 1.00 72.41 C ATOM 0 HA PRO A 62 0.393 5.291 -3.916 1.00 24.03 H new ATOM 0 HB2 PRO A 62 0.412 2.763 -2.767 1.00 12.01 H new ATOM 0 HB3 PRO A 62 0.397 4.202 -1.767 1.00 12.01 H new ATOM 0 HG2 PRO A 62 -1.901 2.423 -2.558 1.00 52.54 H new ATOM 0 HG3 PRO A 62 -1.545 3.130 -0.994 1.00 52.54 H new ATOM 0 HD2 PRO A 62 -3.408 4.216 -2.660 1.00 72.41 H new ATOM 0 HD3 PRO A 62 -2.456 5.213 -1.577 1.00 72.41 H new ATOM 964 N ASP A 63 0.764 3.830 -5.805 1.00 65.13 N ATOM 965 CA ASP A 63 0.944 3.068 -7.037 1.00 33.34 C ATOM 966 C ASP A 63 1.166 1.590 -6.734 1.00 22.23 C ATOM 967 O ASP A 63 1.159 0.755 -7.637 1.00 61.14 O ATOM 968 CB ASP A 63 2.126 3.622 -7.834 1.00 35.01 C ATOM 969 CG ASP A 63 2.109 5.135 -7.919 1.00 30.12 C ATOM 970 OD1 ASP A 63 3.196 5.734 -8.055 1.00 5.42 O ATOM 971 OD2 ASP A 63 1.009 5.721 -7.848 1.00 42.45 O ATOM 0 H ASP A 63 1.522 4.480 -5.596 1.00 65.13 H new ATOM 0 HA ASP A 63 0.036 3.165 -7.632 1.00 33.34 H new ATOM 0 HB2 ASP A 63 3.057 3.298 -7.370 1.00 35.01 H new ATOM 0 HB3 ASP A 63 2.109 3.204 -8.841 1.00 35.01 H new ATOM 977 N GLU A 64 1.364 1.276 -5.457 1.00 44.05 N ATOM 978 CA GLU A 64 1.591 -0.102 -5.037 1.00 73.32 C ATOM 979 C GLU A 64 0.286 -0.894 -5.044 1.00 63.22 C ATOM 980 O GLU A 64 0.291 -2.121 -5.155 1.00 52.02 O ATOM 981 CB GLU A 64 2.213 -0.137 -3.640 1.00 44.21 C ATOM 982 CG GLU A 64 3.373 0.829 -3.467 1.00 31.03 C ATOM 983 CD GLU A 64 4.402 0.711 -4.575 1.00 14.22 C ATOM 984 OE1 GLU A 64 5.290 -0.160 -4.468 1.00 1.32 O ATOM 985 OE2 GLU A 64 4.318 1.490 -5.548 1.00 63.13 O ATOM 0 H GLU A 64 1.372 1.956 -4.697 1.00 44.05 H new ATOM 0 HA GLU A 64 2.280 -0.562 -5.745 1.00 73.32 H new ATOM 0 HB2 GLU A 64 1.444 0.096 -2.903 1.00 44.21 H new ATOM 0 HB3 GLU A 64 2.559 -1.149 -3.431 1.00 44.21 H new ATOM 0 HG2 GLU A 64 2.990 1.849 -3.439 1.00 31.03 H new ATOM 0 HG3 GLU A 64 3.855 0.643 -2.507 1.00 31.03 H new ATOM 993 N LYS A 65 -0.831 -0.185 -4.924 1.00 5.21 N ATOM 994 CA LYS A 65 -2.143 -0.819 -4.917 1.00 72.34 C ATOM 995 C LYS A 65 -2.898 -0.522 -6.209 1.00 13.21 C ATOM 996 O LYS A 65 -3.775 -1.284 -6.618 1.00 31.32 O ATOM 997 CB LYS A 65 -2.958 -0.337 -3.715 1.00 54.54 C ATOM 998 CG LYS A 65 -3.608 1.020 -3.925 1.00 74.12 C ATOM 999 CD LYS A 65 -4.314 1.500 -2.668 1.00 55.35 C ATOM 1000 CE LYS A 65 -5.431 0.551 -2.259 1.00 21.44 C ATOM 1001 NZ LYS A 65 -5.160 -0.087 -0.940 1.00 50.34 N ATOM 0 H LYS A 65 -0.853 0.830 -4.830 1.00 5.21 H new ATOM 0 HA LYS A 65 -1.998 -1.897 -4.842 1.00 72.34 H new ATOM 0 HB2 LYS A 65 -3.733 -1.071 -3.494 1.00 54.54 H new ATOM 0 HB3 LYS A 65 -2.307 -0.288 -2.842 1.00 54.54 H new ATOM 0 HG2 LYS A 65 -2.850 1.746 -4.218 1.00 74.12 H new ATOM 0 HG3 LYS A 65 -4.324 0.959 -4.745 1.00 74.12 H new ATOM 0 HD2 LYS A 65 -3.593 1.587 -1.855 1.00 55.35 H new ATOM 0 HD3 LYS A 65 -4.725 2.495 -2.838 1.00 55.35 H new ATOM 0 HE2 LYS A 65 -6.373 1.097 -2.212 1.00 21.44 H new ATOM 0 HE3 LYS A 65 -5.548 -0.221 -3.019 1.00 21.44 H new ATOM 0 HZ1 LYS A 65 -5.973 -0.674 -0.664 1.00 50.34 H new ATOM 0 HZ2 LYS A 65 -4.311 -0.684 -1.011 1.00 50.34 H new ATOM 0 HZ3 LYS A 65 -5.006 0.650 -0.223 1.00 50.34 H new ATOM 1015 N THR A 66 -2.553 0.591 -6.848 1.00 3.24 N ATOM 1016 CA THR A 66 -3.196 0.989 -8.094 1.00 75.20 C ATOM 1017 C THR A 66 -2.690 0.155 -9.265 1.00 53.41 C ATOM 1018 O THR A 66 -3.451 -0.190 -10.169 1.00 75.42 O ATOM 1019 CB THR A 66 -2.959 2.480 -8.398 1.00 63.35 C ATOM 1020 OG1 THR A 66 -3.221 3.266 -7.230 1.00 41.41 O ATOM 1021 CG2 THR A 66 -3.848 2.947 -9.541 1.00 0.13 C ATOM 0 H THR A 66 -1.831 1.234 -6.523 1.00 3.24 H new ATOM 0 HA THR A 66 -4.265 0.818 -7.966 1.00 75.20 H new ATOM 0 HB THR A 66 -1.918 2.607 -8.694 1.00 63.35 H new ATOM 0 HG1 THR A 66 -2.504 3.130 -6.576 1.00 41.41 H new ATOM 0 HG21 THR A 66 -3.663 4.003 -9.738 1.00 0.13 H new ATOM 0 HG22 THR A 66 -3.625 2.367 -10.436 1.00 0.13 H new ATOM 0 HG23 THR A 66 -4.894 2.806 -9.269 1.00 0.13 H new ATOM 1029 N MET A 67 -1.400 -0.164 -9.244 1.00 41.34 N ATOM 1030 CA MET A 67 -0.793 -0.960 -10.305 1.00 4.22 C ATOM 1031 C MET A 67 -1.622 -2.208 -10.593 1.00 14.23 C ATOM 1032 O MET A 67 -2.060 -2.445 -11.718 1.00 64.54 O ATOM 1033 CB MET A 67 0.632 -1.358 -9.921 1.00 22.51 C ATOM 1034 CG MET A 67 1.687 -0.370 -10.388 1.00 25.24 C ATOM 1035 SD MET A 67 1.626 -0.078 -12.167 1.00 34.33 S ATOM 1036 CE MET A 67 1.089 -1.683 -12.755 1.00 13.52 C ATOM 0 H MET A 67 -0.755 0.116 -8.505 1.00 41.34 H new ATOM 0 HA MET A 67 -0.762 -0.351 -11.208 1.00 4.22 H new ATOM 0 HB2 MET A 67 0.693 -1.456 -8.837 1.00 22.51 H new ATOM 0 HB3 MET A 67 0.853 -2.338 -10.343 1.00 22.51 H new ATOM 0 HG2 MET A 67 1.551 0.576 -9.864 1.00 25.24 H new ATOM 0 HG3 MET A 67 2.675 -0.745 -10.119 1.00 25.24 H new ATOM 0 HE1 MET A 67 1.446 -1.836 -13.773 1.00 13.52 H new ATOM 0 HE2 MET A 67 1.494 -2.461 -12.108 1.00 13.52 H new ATOM 0 HE3 MET A 67 0.000 -1.730 -12.742 1.00 13.52 H new ATOM 1046 N PRO A 68 -1.845 -3.024 -9.552 1.00 74.11 N ATOM 1047 CA PRO A 68 -2.623 -4.260 -9.668 1.00 32.11 C ATOM 1048 C PRO A 68 -4.106 -3.992 -9.900 1.00 61.15 C ATOM 1049 O PRO A 68 -4.854 -4.885 -10.298 1.00 45.25 O ATOM 1050 CB PRO A 68 -2.409 -4.943 -8.315 1.00 74.01 C ATOM 1051 CG PRO A 68 -2.097 -3.831 -7.374 1.00 1.11 C ATOM 1052 CD PRO A 68 -1.354 -2.802 -8.181 1.00 71.23 C ATOM 0 HA PRO A 68 -2.306 -4.862 -10.520 1.00 32.11 H new ATOM 0 HB2 PRO A 68 -3.299 -5.489 -8.002 1.00 74.01 H new ATOM 0 HB3 PRO A 68 -1.593 -5.664 -8.360 1.00 74.01 H new ATOM 0 HG2 PRO A 68 -3.009 -3.411 -6.950 1.00 1.11 H new ATOM 0 HG3 PRO A 68 -1.491 -4.184 -6.539 1.00 1.11 H new ATOM 0 HD2 PRO A 68 -1.568 -1.790 -7.837 1.00 71.23 H new ATOM 0 HD3 PRO A 68 -0.275 -2.941 -8.113 1.00 71.23 H new ATOM 1060 N VAL A 69 -4.526 -2.755 -9.648 1.00 63.44 N ATOM 1061 CA VAL A 69 -5.920 -2.370 -9.832 1.00 12.24 C ATOM 1062 C VAL A 69 -6.215 -2.055 -11.294 1.00 74.20 C ATOM 1063 O VAL A 69 -7.113 -2.645 -11.898 1.00 12.45 O ATOM 1064 CB VAL A 69 -6.281 -1.143 -8.971 1.00 45.11 C ATOM 1065 CG1 VAL A 69 -7.539 -0.473 -9.499 1.00 1.13 C ATOM 1066 CG2 VAL A 69 -6.451 -1.547 -7.515 1.00 73.01 C ATOM 0 H VAL A 69 -3.921 -2.004 -9.316 1.00 63.44 H new ATOM 0 HA VAL A 69 -6.527 -3.218 -9.517 1.00 12.24 H new ATOM 0 HB VAL A 69 -5.464 -0.424 -9.031 1.00 45.11 H new ATOM 0 HG11 VAL A 69 -7.779 0.391 -8.879 1.00 1.13 H new ATOM 0 HG12 VAL A 69 -7.374 -0.148 -10.526 1.00 1.13 H new ATOM 0 HG13 VAL A 69 -8.367 -1.181 -9.471 1.00 1.13 H new ATOM 0 HG21 VAL A 69 -6.706 -0.669 -6.921 1.00 73.01 H new ATOM 0 HG22 VAL A 69 -7.249 -2.285 -7.433 1.00 73.01 H new ATOM 0 HG23 VAL A 69 -5.520 -1.977 -7.146 1.00 73.01 H new ATOM 1076 N LEU A 70 -5.455 -1.124 -11.858 1.00 14.30 N ATOM 1077 CA LEU A 70 -5.635 -0.731 -13.252 1.00 22.23 C ATOM 1078 C LEU A 70 -5.405 -1.914 -14.185 1.00 24.20 C ATOM 1079 O LEU A 70 -6.173 -2.138 -15.121 1.00 35.31 O ATOM 1080 CB LEU A 70 -4.677 0.408 -13.608 1.00 21.20 C ATOM 1081 CG LEU A 70 -3.186 0.096 -13.481 1.00 62.52 C ATOM 1082 CD1 LEU A 70 -2.613 -0.332 -14.823 1.00 42.13 C ATOM 1083 CD2 LEU A 70 -2.433 1.300 -12.936 1.00 5.44 C ATOM 0 H LEU A 70 -4.708 -0.627 -11.373 1.00 14.30 H new ATOM 0 HA LEU A 70 -6.662 -0.388 -13.378 1.00 22.23 H new ATOM 0 HB2 LEU A 70 -4.877 0.717 -14.634 1.00 21.20 H new ATOM 0 HB3 LEU A 70 -4.905 1.261 -12.969 1.00 21.20 H new ATOM 0 HG LEU A 70 -3.066 -0.729 -12.779 1.00 62.52 H new ATOM 0 HD11 LEU A 70 -1.551 -0.550 -14.712 1.00 42.13 H new ATOM 0 HD12 LEU A 70 -3.132 -1.225 -15.172 1.00 42.13 H new ATOM 0 HD13 LEU A 70 -2.745 0.471 -15.548 1.00 42.13 H new ATOM 0 HD21 LEU A 70 -1.373 1.059 -12.852 1.00 5.44 H new ATOM 0 HD22 LEU A 70 -2.561 2.146 -13.612 1.00 5.44 H new ATOM 0 HD23 LEU A 70 -2.825 1.559 -11.952 1.00 5.44 H new ATOM 1095 N MET A 71 -4.345 -2.672 -13.923 1.00 21.01 N ATOM 1096 CA MET A 71 -4.016 -3.836 -14.739 1.00 14.40 C ATOM 1097 C MET A 71 -5.149 -4.857 -14.709 1.00 31.03 C ATOM 1098 O MET A 71 -5.285 -5.675 -15.618 1.00 4.42 O ATOM 1099 CB MET A 71 -2.720 -4.481 -14.246 1.00 1.22 C ATOM 1100 CG MET A 71 -2.901 -5.339 -13.005 1.00 52.33 C ATOM 1101 SD MET A 71 -3.130 -7.084 -13.395 1.00 53.11 S ATOM 1102 CE MET A 71 -1.443 -7.578 -13.742 1.00 75.11 C ATOM 0 H MET A 71 -3.699 -2.501 -13.152 1.00 21.01 H new ATOM 0 HA MET A 71 -3.878 -3.501 -15.767 1.00 14.40 H new ATOM 0 HB2 MET A 71 -2.303 -5.095 -15.044 1.00 1.22 H new ATOM 0 HB3 MET A 71 -1.992 -3.698 -14.033 1.00 1.22 H new ATOM 0 HG2 MET A 71 -2.030 -5.226 -12.360 1.00 52.33 H new ATOM 0 HG3 MET A 71 -3.763 -4.980 -12.442 1.00 52.33 H new ATOM 0 HE1 MET A 71 -1.445 -8.412 -14.444 1.00 75.11 H new ATOM 0 HE2 MET A 71 -0.900 -6.739 -14.178 1.00 75.11 H new ATOM 0 HE3 MET A 71 -0.956 -7.884 -12.816 1.00 75.11 H new ATOM 1112 N LYS A 72 -5.961 -4.803 -13.658 1.00 41.41 N ATOM 1113 CA LYS A 72 -7.083 -5.722 -13.510 1.00 40.53 C ATOM 1114 C LYS A 72 -8.201 -5.380 -14.491 1.00 21.35 C ATOM 1115 O LYS A 72 -8.941 -6.258 -14.935 1.00 14.35 O ATOM 1116 CB LYS A 72 -7.617 -5.681 -12.077 1.00 52.40 C ATOM 1117 CG LYS A 72 -8.504 -6.862 -11.723 1.00 65.02 C ATOM 1118 CD LYS A 72 -7.715 -7.968 -11.043 1.00 20.30 C ATOM 1119 CE LYS A 72 -8.139 -9.341 -11.538 1.00 43.15 C ATOM 1120 NZ LYS A 72 -9.077 -10.007 -10.592 1.00 13.32 N ATOM 0 H LYS A 72 -5.863 -4.132 -12.896 1.00 41.41 H new ATOM 0 HA LYS A 72 -6.727 -6.728 -13.730 1.00 40.53 H new ATOM 0 HB2 LYS A 72 -6.775 -5.650 -11.385 1.00 52.40 H new ATOM 0 HB3 LYS A 72 -8.181 -4.759 -11.935 1.00 52.40 H new ATOM 0 HG2 LYS A 72 -9.308 -6.530 -11.066 1.00 65.02 H new ATOM 0 HG3 LYS A 72 -8.972 -7.251 -12.627 1.00 65.02 H new ATOM 0 HD2 LYS A 72 -6.651 -7.825 -11.231 1.00 20.30 H new ATOM 0 HD3 LYS A 72 -7.859 -7.909 -9.964 1.00 20.30 H new ATOM 0 HE2 LYS A 72 -8.615 -9.244 -12.514 1.00 43.15 H new ATOM 0 HE3 LYS A 72 -7.257 -9.966 -11.675 1.00 43.15 H new ATOM 0 HZ1 LYS A 72 -9.342 -10.941 -10.966 1.00 13.32 H new ATOM 0 HZ2 LYS A 72 -8.614 -10.123 -9.668 1.00 13.32 H new ATOM 0 HZ3 LYS A 72 -9.931 -9.423 -10.481 1.00 13.32 H new ATOM 1134 N LEU A 73 -8.315 -4.100 -14.826 1.00 41.31 N ATOM 1135 CA LEU A 73 -9.341 -3.641 -15.756 1.00 4.03 C ATOM 1136 C LEU A 73 -8.978 -4.008 -17.191 1.00 51.11 C ATOM 1137 O LEU A 73 -9.782 -4.596 -17.916 1.00 73.31 O ATOM 1138 CB LEU A 73 -9.527 -2.128 -15.636 1.00 11.13 C ATOM 1139 CG LEU A 73 -9.435 -1.550 -14.223 1.00 21.12 C ATOM 1140 CD1 LEU A 73 -9.542 -0.033 -14.257 1.00 44.00 C ATOM 1141 CD2 LEU A 73 -10.518 -2.143 -13.332 1.00 44.21 C ATOM 0 H LEU A 73 -7.710 -3.361 -14.468 1.00 41.31 H new ATOM 0 HA LEU A 73 -10.277 -4.137 -15.499 1.00 4.03 H new ATOM 0 HB2 LEU A 73 -8.776 -1.639 -16.256 1.00 11.13 H new ATOM 0 HB3 LEU A 73 -10.501 -1.868 -16.051 1.00 11.13 H new ATOM 0 HG LEU A 73 -8.463 -1.815 -13.806 1.00 21.12 H new ATOM 0 HD11 LEU A 73 -9.474 0.359 -13.242 1.00 44.00 H new ATOM 0 HD12 LEU A 73 -8.730 0.376 -14.859 1.00 44.00 H new ATOM 0 HD13 LEU A 73 -10.498 0.255 -14.694 1.00 44.00 H new ATOM 0 HD21 LEU A 73 -10.437 -1.720 -12.331 1.00 44.21 H new ATOM 0 HD22 LEU A 73 -11.499 -1.909 -13.747 1.00 44.21 H new ATOM 0 HD23 LEU A 73 -10.395 -3.225 -13.280 1.00 44.21 H new ATOM 1153 N LEU A 74 -7.762 -3.659 -17.596 1.00 11.44 N ATOM 1154 CA LEU A 74 -7.291 -3.952 -18.945 1.00 63.10 C ATOM 1155 C LEU A 74 -7.349 -5.450 -19.228 1.00 51.34 C ATOM 1156 O LEU A 74 -7.432 -5.870 -20.382 1.00 32.20 O ATOM 1157 CB LEU A 74 -5.860 -3.442 -19.130 1.00 71.44 C ATOM 1158 CG LEU A 74 -5.705 -1.935 -19.328 1.00 12.12 C ATOM 1159 CD1 LEU A 74 -6.537 -1.463 -20.511 1.00 65.11 C ATOM 1160 CD2 LEU A 74 -6.103 -1.187 -18.063 1.00 10.03 C ATOM 0 H LEU A 74 -7.084 -3.173 -17.009 1.00 11.44 H new ATOM 0 HA LEU A 74 -7.946 -3.441 -19.651 1.00 63.10 H new ATOM 0 HB2 LEU A 74 -5.276 -3.736 -18.258 1.00 71.44 H new ATOM 0 HB3 LEU A 74 -5.424 -3.948 -19.991 1.00 71.44 H new ATOM 0 HG LEU A 74 -4.657 -1.722 -19.539 1.00 12.12 H new ATOM 0 HD11 LEU A 74 -6.414 -0.387 -20.636 1.00 65.11 H new ATOM 0 HD12 LEU A 74 -6.206 -1.974 -21.415 1.00 65.11 H new ATOM 0 HD13 LEU A 74 -7.588 -1.689 -20.330 1.00 65.11 H new ATOM 0 HD21 LEU A 74 -5.986 -0.115 -18.222 1.00 10.03 H new ATOM 0 HD22 LEU A 74 -7.143 -1.407 -17.822 1.00 10.03 H new ATOM 0 HD23 LEU A 74 -5.465 -1.503 -17.238 1.00 10.03 H new ATOM 1172 N GLU A 75 -7.310 -6.249 -18.167 1.00 25.20 N ATOM 1173 CA GLU A 75 -7.359 -7.701 -18.302 1.00 74.02 C ATOM 1174 C GLU A 75 -8.614 -8.134 -19.056 1.00 32.24 C ATOM 1175 O GLU A 75 -8.534 -8.855 -20.049 1.00 64.25 O ATOM 1176 CB GLU A 75 -7.324 -8.365 -16.924 1.00 2.24 C ATOM 1177 CG GLU A 75 -5.974 -8.968 -16.573 1.00 43.55 C ATOM 1178 CD GLU A 75 -5.625 -10.161 -17.443 1.00 23.24 C ATOM 1179 OE1 GLU A 75 -5.265 -9.951 -18.621 1.00 33.43 O ATOM 1180 OE2 GLU A 75 -5.711 -11.303 -16.947 1.00 74.35 O ATOM 0 H GLU A 75 -7.245 -5.916 -17.205 1.00 25.20 H new ATOM 0 HA GLU A 75 -6.485 -8.018 -18.872 1.00 74.02 H new ATOM 0 HB2 GLU A 75 -7.591 -7.627 -16.167 1.00 2.24 H new ATOM 0 HB3 GLU A 75 -8.082 -9.147 -16.887 1.00 2.24 H new ATOM 0 HG2 GLU A 75 -5.201 -8.207 -16.679 1.00 43.55 H new ATOM 0 HG3 GLU A 75 -5.978 -9.274 -15.527 1.00 43.55 H new ATOM 1188 N GLU A 76 -9.770 -7.687 -18.575 1.00 34.20 N ATOM 1189 CA GLU A 76 -11.040 -8.030 -19.202 1.00 41.14 C ATOM 1190 C GLU A 76 -11.267 -7.199 -20.462 1.00 1.15 C ATOM 1191 O GLU A 76 -11.928 -7.643 -21.401 1.00 21.55 O ATOM 1192 CB GLU A 76 -12.194 -7.814 -18.221 1.00 14.41 C ATOM 1193 CG GLU A 76 -12.014 -8.541 -16.899 1.00 1.23 C ATOM 1194 CD GLU A 76 -13.256 -8.492 -16.032 1.00 52.12 C ATOM 1195 OE1 GLU A 76 -13.586 -9.524 -15.410 1.00 72.20 O ATOM 1196 OE2 GLU A 76 -13.900 -7.423 -15.975 1.00 60.35 O ATOM 0 H GLU A 76 -9.853 -7.087 -17.754 1.00 34.20 H new ATOM 0 HA GLU A 76 -11.004 -9.083 -19.483 1.00 41.14 H new ATOM 0 HB2 GLU A 76 -12.300 -6.747 -18.027 1.00 14.41 H new ATOM 0 HB3 GLU A 76 -13.122 -8.147 -18.686 1.00 14.41 H new ATOM 0 HG2 GLU A 76 -11.752 -9.581 -17.093 1.00 1.23 H new ATOM 0 HG3 GLU A 76 -11.179 -8.098 -16.356 1.00 1.23 H new ATOM 1204 N ALA A 77 -10.715 -5.990 -20.473 1.00 2.22 N ATOM 1205 CA ALA A 77 -10.855 -5.097 -21.616 1.00 44.13 C ATOM 1206 C ALA A 77 -9.819 -5.414 -22.690 1.00 40.35 C ATOM 1207 O ALA A 77 -9.731 -4.722 -23.704 1.00 23.44 O ATOM 1208 CB ALA A 77 -10.731 -3.647 -21.172 1.00 65.30 C ATOM 0 H ALA A 77 -10.167 -5.607 -19.703 1.00 2.22 H new ATOM 0 HA ALA A 77 -11.845 -5.250 -22.046 1.00 44.13 H new ATOM 0 HB1 ALA A 77 -10.838 -2.991 -22.036 1.00 65.30 H new ATOM 0 HB2 ALA A 77 -11.512 -3.421 -20.446 1.00 65.30 H new ATOM 0 HB3 ALA A 77 -9.754 -3.489 -20.715 1.00 65.30 H new ATOM 1214 N GLY A 78 -9.037 -6.465 -22.461 1.00 34.41 N ATOM 1215 CA GLY A 78 -8.018 -6.853 -23.418 1.00 71.32 C ATOM 1216 C GLY A 78 -7.028 -5.739 -23.695 1.00 61.13 C ATOM 1217 O GLY A 78 -6.340 -5.751 -24.715 1.00 1.52 O ATOM 0 H GLY A 78 -9.091 -7.054 -21.630 1.00 34.41 H new ATOM 0 HA2 GLY A 78 -7.483 -7.725 -23.041 1.00 71.32 H new ATOM 0 HA3 GLY A 78 -8.495 -7.151 -24.351 1.00 71.32 H new ATOM 1221 N GLY A 79 -6.956 -4.773 -22.785 1.00 73.13 N ATOM 1222 CA GLY A 79 -6.042 -3.659 -22.956 1.00 43.11 C ATOM 1223 C GLY A 79 -6.690 -2.479 -23.655 1.00 21.11 C ATOM 1224 O GLY A 79 -6.072 -1.837 -24.503 1.00 34.25 O ATOM 0 H GLY A 79 -7.514 -4.742 -21.932 1.00 73.13 H new ATOM 0 HA2 GLY A 79 -5.674 -3.342 -21.980 1.00 43.11 H new ATOM 0 HA3 GLY A 79 -5.177 -3.988 -23.532 1.00 43.11 H new ATOM 1228 N ASN A 80 -7.939 -2.196 -23.299 1.00 21.33 N ATOM 1229 CA ASN A 80 -8.671 -1.087 -23.899 1.00 41.34 C ATOM 1230 C ASN A 80 -8.993 -0.020 -22.857 1.00 73.33 C ATOM 1231 O ASN A 80 -9.902 -0.188 -22.043 1.00 72.34 O ATOM 1232 CB ASN A 80 -9.962 -1.592 -24.545 1.00 73.02 C ATOM 1233 CG ASN A 80 -10.237 -0.932 -25.882 1.00 3.23 C ATOM 1234 OD1 ASN A 80 -10.301 0.395 -25.885 1.00 12.51 O flip ATOM 1235 ND2 ASN A 80 -10.389 -1.607 -26.900 1.00 25.11 N flip ATOM 0 H ASN A 80 -8.465 -2.719 -22.599 1.00 21.33 H new ATOM 0 HA ASN A 80 -8.039 -0.640 -24.667 1.00 41.34 H new ATOM 0 HB2 ASN A 80 -9.898 -2.671 -24.682 1.00 73.02 H new ATOM 0 HB3 ASN A 80 -10.799 -1.405 -23.872 1.00 73.02 H new ATOM 0 HD21 ASN A 80 -10.331 -2.624 -26.851 1.00 25.11 H new ATOM 0 HD22 ASN A 80 -10.572 -1.149 -27.793 1.00 25.11 H new ATOM 1242 N TRP A 81 -8.244 1.075 -22.889 1.00 13.02 N ATOM 1243 CA TRP A 81 -8.450 2.170 -21.947 1.00 61.41 C ATOM 1244 C TRP A 81 -9.595 3.069 -22.400 1.00 22.14 C ATOM 1245 O TRP A 81 -10.188 3.788 -21.596 1.00 51.43 O ATOM 1246 CB TRP A 81 -7.169 2.991 -21.798 1.00 3.52 C ATOM 1247 CG TRP A 81 -5.998 2.185 -21.322 1.00 72.14 C ATOM 1248 CD1 TRP A 81 -5.215 1.355 -22.071 1.00 42.34 C ATOM 1249 CD2 TRP A 81 -5.482 2.131 -19.987 1.00 62.14 C ATOM 1250 NE1 TRP A 81 -4.242 0.788 -21.284 1.00 63.30 N ATOM 1251 CE2 TRP A 81 -4.383 1.249 -20.002 1.00 72.44 C ATOM 1252 CE3 TRP A 81 -5.839 2.743 -18.783 1.00 23.23 C ATOM 1253 CZ2 TRP A 81 -3.643 0.964 -18.857 1.00 43.22 C ATOM 1254 CZ3 TRP A 81 -5.102 2.459 -17.648 1.00 13.41 C ATOM 1255 CH2 TRP A 81 -4.015 1.577 -17.692 1.00 3.14 C ATOM 0 H TRP A 81 -7.488 1.229 -23.557 1.00 13.02 H new ATOM 0 HA TRP A 81 -8.711 1.740 -20.980 1.00 61.41 H new ATOM 0 HB2 TRP A 81 -6.923 3.444 -22.758 1.00 3.52 H new ATOM 0 HB3 TRP A 81 -7.348 3.807 -21.097 1.00 3.52 H new ATOM 0 HD1 TRP A 81 -5.342 1.171 -23.128 1.00 42.34 H new ATOM 0 HE1 TRP A 81 -3.530 0.131 -21.603 1.00 63.30 H new ATOM 0 HE3 TRP A 81 -6.675 3.425 -18.739 1.00 23.23 H new ATOM 0 HZ2 TRP A 81 -2.805 0.283 -18.888 1.00 43.22 H new ATOM 0 HZ3 TRP A 81 -5.369 2.925 -16.711 1.00 13.41 H new ATOM 0 HH2 TRP A 81 -3.459 1.377 -16.788 1.00 3.14 H new ATOM 1266 N SER A 82 -9.901 3.025 -23.693 1.00 61.11 N ATOM 1267 CA SER A 82 -10.973 3.839 -24.253 1.00 43.51 C ATOM 1268 C SER A 82 -12.261 3.666 -23.454 1.00 44.10 C ATOM 1269 O SER A 82 -12.888 4.645 -23.048 1.00 20.31 O ATOM 1270 CB SER A 82 -11.214 3.465 -25.717 1.00 4.44 C ATOM 1271 OG SER A 82 -12.138 4.351 -26.325 1.00 33.12 O ATOM 0 H SER A 82 -9.421 2.434 -24.372 1.00 61.11 H new ATOM 0 HA SER A 82 -10.669 4.884 -24.197 1.00 43.51 H new ATOM 0 HB2 SER A 82 -10.270 3.489 -26.262 1.00 4.44 H new ATOM 0 HB3 SER A 82 -11.591 2.444 -25.777 1.00 4.44 H new ATOM 0 HG SER A 82 -12.273 4.091 -27.260 1.00 33.12 H new ATOM 1277 N TYR A 83 -12.649 2.415 -23.233 1.00 41.21 N ATOM 1278 CA TYR A 83 -13.863 2.113 -22.485 1.00 74.45 C ATOM 1279 C TYR A 83 -13.625 2.247 -20.984 1.00 32.31 C ATOM 1280 O TYR A 83 -14.453 2.801 -20.260 1.00 21.24 O ATOM 1281 CB TYR A 83 -14.350 0.700 -22.812 1.00 30.32 C ATOM 1282 CG TYR A 83 -15.279 0.123 -21.767 1.00 10.15 C ATOM 1283 CD1 TYR A 83 -14.783 -0.603 -20.692 1.00 62.30 C ATOM 1284 CD2 TYR A 83 -16.654 0.306 -21.855 1.00 11.44 C ATOM 1285 CE1 TYR A 83 -15.628 -1.133 -19.737 1.00 55.01 C ATOM 1286 CE2 TYR A 83 -17.507 -0.218 -20.904 1.00 23.30 C ATOM 1287 CZ TYR A 83 -16.989 -0.938 -19.847 1.00 32.52 C ATOM 1288 OH TYR A 83 -17.835 -1.462 -18.895 1.00 3.40 O ATOM 0 H TYR A 83 -12.140 1.594 -23.561 1.00 41.21 H new ATOM 0 HA TYR A 83 -14.629 2.831 -22.778 1.00 74.45 H new ATOM 0 HB2 TYR A 83 -14.863 0.715 -23.774 1.00 30.32 H new ATOM 0 HB3 TYR A 83 -13.487 0.043 -22.921 1.00 30.32 H new ATOM 0 HD1 TYR A 83 -13.718 -0.756 -20.601 1.00 62.30 H new ATOM 0 HD2 TYR A 83 -17.062 0.868 -22.682 1.00 11.44 H new ATOM 0 HE1 TYR A 83 -15.225 -1.697 -18.909 1.00 55.01 H new ATOM 0 HE2 TYR A 83 -18.573 -0.065 -20.987 1.00 23.30 H new ATOM 0 HH TYR A 83 -18.761 -1.233 -19.119 1.00 3.40 H new ATOM 1298 N ILE A 84 -12.489 1.734 -20.523 1.00 21.23 N ATOM 1299 CA ILE A 84 -12.141 1.798 -19.110 1.00 20.51 C ATOM 1300 C ILE A 84 -12.097 3.240 -18.618 1.00 55.14 C ATOM 1301 O ILE A 84 -12.266 3.508 -17.427 1.00 45.13 O ATOM 1302 CB ILE A 84 -10.779 1.133 -18.835 1.00 45.20 C ATOM 1303 CG1 ILE A 84 -10.841 -0.361 -19.161 1.00 31.24 C ATOM 1304 CG2 ILE A 84 -10.367 1.348 -17.386 1.00 44.00 C ATOM 1305 CD1 ILE A 84 -9.506 -1.061 -19.038 1.00 63.32 C ATOM 0 H ILE A 84 -11.794 1.270 -21.108 1.00 21.23 H new ATOM 0 HA ILE A 84 -12.918 1.256 -18.570 1.00 20.51 H new ATOM 0 HB ILE A 84 -10.030 1.595 -19.478 1.00 45.20 H new ATOM 0 HG12 ILE A 84 -11.557 -0.841 -18.494 1.00 31.24 H new ATOM 0 HG13 ILE A 84 -11.217 -0.488 -20.176 1.00 31.24 H new ATOM 0 HG21 ILE A 84 -9.403 0.872 -17.207 1.00 44.00 H new ATOM 0 HG22 ILE A 84 -10.287 2.416 -17.185 1.00 44.00 H new ATOM 0 HG23 ILE A 84 -11.116 0.910 -16.726 1.00 44.00 H new ATOM 0 HD11 ILE A 84 -9.625 -2.116 -19.283 1.00 63.32 H new ATOM 0 HD12 ILE A 84 -8.792 -0.607 -19.725 1.00 63.32 H new ATOM 0 HD13 ILE A 84 -9.138 -0.965 -18.017 1.00 63.32 H new ATOM 1317 N LYS A 85 -11.873 4.168 -19.542 1.00 11.01 N ATOM 1318 CA LYS A 85 -11.811 5.585 -19.205 1.00 12.24 C ATOM 1319 C LYS A 85 -13.141 6.274 -19.499 1.00 62.33 C ATOM 1320 O LYS A 85 -13.306 7.465 -19.238 1.00 30.35 O ATOM 1321 CB LYS A 85 -10.688 6.268 -19.988 1.00 10.13 C ATOM 1322 CG LYS A 85 -11.134 6.832 -21.326 1.00 72.23 C ATOM 1323 CD LYS A 85 -10.015 6.784 -22.353 1.00 55.11 C ATOM 1324 CE LYS A 85 -8.727 7.376 -21.802 1.00 55.40 C ATOM 1325 NZ LYS A 85 -8.039 8.235 -22.804 1.00 2.44 N ATOM 0 H LYS A 85 -11.731 3.964 -20.531 1.00 11.01 H new ATOM 0 HA LYS A 85 -11.606 5.670 -18.138 1.00 12.24 H new ATOM 0 HB2 LYS A 85 -10.274 7.075 -19.383 1.00 10.13 H new ATOM 0 HB3 LYS A 85 -9.885 5.550 -20.155 1.00 10.13 H new ATOM 0 HG2 LYS A 85 -11.990 6.266 -21.693 1.00 72.23 H new ATOM 0 HG3 LYS A 85 -11.465 7.862 -21.195 1.00 72.23 H new ATOM 0 HD2 LYS A 85 -9.842 5.751 -22.656 1.00 55.11 H new ATOM 0 HD3 LYS A 85 -10.316 7.332 -23.246 1.00 55.11 H new ATOM 0 HE2 LYS A 85 -8.949 7.964 -20.911 1.00 55.40 H new ATOM 0 HE3 LYS A 85 -8.060 6.571 -21.494 1.00 55.40 H new ATOM 0 HZ1 LYS A 85 -7.166 8.620 -22.390 1.00 2.44 H new ATOM 0 HZ2 LYS A 85 -7.804 7.669 -23.644 1.00 2.44 H new ATOM 0 HZ3 LYS A 85 -8.666 9.018 -23.079 1.00 2.44 H new ATOM 1339 N LEU A 86 -14.087 5.514 -20.041 1.00 51.20 N ATOM 1340 CA LEU A 86 -15.403 6.051 -20.369 1.00 62.34 C ATOM 1341 C LEU A 86 -16.026 6.743 -19.161 1.00 70.42 C ATOM 1342 O LEU A 86 -16.836 7.659 -19.307 1.00 20.33 O ATOM 1343 CB LEU A 86 -16.324 4.932 -20.861 1.00 4.13 C ATOM 1344 CG LEU A 86 -17.697 5.369 -21.372 1.00 11.13 C ATOM 1345 CD1 LEU A 86 -18.211 4.394 -22.419 1.00 62.24 C ATOM 1346 CD2 LEU A 86 -18.683 5.485 -20.219 1.00 32.43 C ATOM 0 H LEU A 86 -13.967 4.526 -20.262 1.00 51.20 H new ATOM 0 HA LEU A 86 -15.280 6.788 -21.163 1.00 62.34 H new ATOM 0 HB2 LEU A 86 -15.815 4.395 -21.661 1.00 4.13 H new ATOM 0 HB3 LEU A 86 -16.471 4.224 -20.045 1.00 4.13 H new ATOM 0 HG LEU A 86 -17.596 6.350 -21.837 1.00 11.13 H new ATOM 0 HD11 LEU A 86 -19.189 4.721 -22.771 1.00 62.24 H new ATOM 0 HD12 LEU A 86 -17.516 4.361 -23.258 1.00 62.24 H new ATOM 0 HD13 LEU A 86 -18.297 3.400 -21.980 1.00 62.24 H new ATOM 0 HD21 LEU A 86 -19.655 5.797 -20.601 1.00 32.43 H new ATOM 0 HD22 LEU A 86 -18.781 4.518 -19.725 1.00 32.43 H new ATOM 0 HD23 LEU A 86 -18.321 6.223 -19.503 1.00 32.43 H new ATOM 1358 N ASP A 87 -15.641 6.299 -17.969 1.00 1.33 N ATOM 1359 CA ASP A 87 -16.160 6.878 -16.735 1.00 24.44 C ATOM 1360 C ASP A 87 -15.029 7.464 -15.893 1.00 43.10 C ATOM 1361 O ASP A 87 -15.150 7.589 -14.676 1.00 21.41 O ATOM 1362 CB ASP A 87 -16.917 5.821 -15.929 1.00 4.30 C ATOM 1363 CG ASP A 87 -17.889 5.030 -16.783 1.00 23.13 C ATOM 1364 OD1 ASP A 87 -17.481 3.985 -17.332 1.00 41.42 O ATOM 1365 OD2 ASP A 87 -19.056 5.456 -16.900 1.00 71.33 O ATOM 0 H ASP A 87 -14.972 5.541 -17.831 1.00 1.33 H new ATOM 0 HA ASP A 87 -16.847 7.682 -17.000 1.00 24.44 H new ATOM 0 HB2 ASP A 87 -16.203 5.138 -15.469 1.00 4.30 H new ATOM 0 HB3 ASP A 87 -17.461 6.306 -15.119 1.00 4.30 H new ATOM 1371 N ASN A 88 -13.930 7.819 -16.551 1.00 51.34 N ATOM 1372 CA ASN A 88 -12.779 8.390 -15.864 1.00 4.03 C ATOM 1373 C ASN A 88 -12.139 7.366 -14.932 1.00 61.44 C ATOM 1374 O ASN A 88 -11.735 7.693 -13.816 1.00 25.54 O ATOM 1375 CB ASN A 88 -13.195 9.629 -15.069 1.00 1.14 C ATOM 1376 CG ASN A 88 -12.151 10.728 -15.122 1.00 30.21 C ATOM 1377 OD1 ASN A 88 -10.894 10.362 -14.903 1.00 22.52 O flip ATOM 1378 ND2 ASN A 88 -12.473 11.893 -15.358 1.00 63.41 N flip ATOM 0 H ASN A 88 -13.813 7.721 -17.560 1.00 51.34 H new ATOM 0 HA ASN A 88 -12.046 8.679 -16.617 1.00 4.03 H new ATOM 0 HB2 ASN A 88 -14.139 10.009 -15.461 1.00 1.14 H new ATOM 0 HB3 ASN A 88 -13.371 9.349 -14.030 1.00 1.14 H new ATOM 0 HD21 ASN A 88 -13.452 12.129 -15.520 1.00 63.41 H new ATOM 0 HD22 ASN A 88 -11.761 12.622 -15.391 1.00 63.41 H new ATOM 1385 N TYR A 89 -12.050 6.124 -15.398 1.00 14.14 N ATOM 1386 CA TYR A 89 -11.461 5.051 -14.606 1.00 55.25 C ATOM 1387 C TYR A 89 -12.250 4.827 -13.319 1.00 2.22 C ATOM 1388 O TYR A 89 -11.674 4.601 -12.255 1.00 71.54 O ATOM 1389 CB TYR A 89 -10.004 5.374 -14.274 1.00 4.22 C ATOM 1390 CG TYR A 89 -9.148 5.632 -15.494 1.00 64.03 C ATOM 1391 CD1 TYR A 89 -9.401 4.981 -16.696 1.00 34.12 C ATOM 1392 CD2 TYR A 89 -8.087 6.527 -15.445 1.00 64.00 C ATOM 1393 CE1 TYR A 89 -8.621 5.213 -17.812 1.00 15.53 C ATOM 1394 CE2 TYR A 89 -7.302 6.767 -16.556 1.00 43.35 C ATOM 1395 CZ TYR A 89 -7.573 6.107 -17.738 1.00 14.13 C ATOM 1396 OH TYR A 89 -6.795 6.342 -18.848 1.00 12.45 O ATOM 0 H TYR A 89 -12.378 5.836 -16.320 1.00 14.14 H new ATOM 0 HA TYR A 89 -11.498 4.136 -15.197 1.00 55.25 H new ATOM 0 HB2 TYR A 89 -9.973 6.251 -13.627 1.00 4.22 H new ATOM 0 HB3 TYR A 89 -9.577 4.546 -13.709 1.00 4.22 H new ATOM 0 HD1 TYR A 89 -10.222 4.282 -16.758 1.00 34.12 H new ATOM 0 HD2 TYR A 89 -7.872 7.045 -14.522 1.00 64.00 H new ATOM 0 HE1 TYR A 89 -8.830 4.697 -18.738 1.00 15.53 H new ATOM 0 HE2 TYR A 89 -6.481 7.467 -16.500 1.00 43.35 H new ATOM 0 HH TYR A 89 -6.101 6.998 -18.628 1.00 12.45 H new ATOM 1406 N THR A 90 -13.573 4.893 -13.425 1.00 40.15 N ATOM 1407 CA THR A 90 -14.443 4.699 -12.272 1.00 73.14 C ATOM 1408 C THR A 90 -14.103 3.406 -11.538 1.00 32.15 C ATOM 1409 O THR A 90 -14.273 3.309 -10.323 1.00 3.40 O ATOM 1410 CB THR A 90 -15.926 4.665 -12.686 1.00 41.54 C ATOM 1411 OG1 THR A 90 -16.349 5.968 -13.103 1.00 23.05 O ATOM 1412 CG2 THR A 90 -16.798 4.188 -11.535 1.00 75.45 C ATOM 0 H THR A 90 -14.066 5.079 -14.298 1.00 40.15 H new ATOM 0 HA THR A 90 -14.278 5.546 -11.606 1.00 73.14 H new ATOM 0 HB THR A 90 -16.032 3.966 -13.516 1.00 41.54 H new ATOM 0 HG1 THR A 90 -15.585 6.457 -13.475 1.00 23.05 H new ATOM 0 HG21 THR A 90 -17.841 4.172 -11.851 1.00 75.45 H new ATOM 0 HG22 THR A 90 -16.493 3.184 -11.239 1.00 75.45 H new ATOM 0 HG23 THR A 90 -16.686 4.865 -10.688 1.00 75.45 H new ATOM 1420 N ALA A 91 -13.620 2.418 -12.283 1.00 42.13 N ATOM 1421 CA ALA A 91 -13.252 1.132 -11.702 1.00 52.34 C ATOM 1422 C ALA A 91 -12.239 1.308 -10.577 1.00 4.14 C ATOM 1423 O ALA A 91 -12.281 0.596 -9.573 1.00 61.31 O ATOM 1424 CB ALA A 91 -12.698 0.207 -12.775 1.00 51.15 C ATOM 0 H ALA A 91 -13.474 2.483 -13.290 1.00 42.13 H new ATOM 0 HA ALA A 91 -14.150 0.682 -11.279 1.00 52.34 H new ATOM 0 HB1 ALA A 91 -12.428 -0.749 -12.327 1.00 51.15 H new ATOM 0 HB2 ALA A 91 -13.455 0.047 -13.543 1.00 51.15 H new ATOM 0 HB3 ALA A 91 -11.814 0.660 -13.225 1.00 51.15 H new ATOM 1430 N LEU A 92 -11.329 2.260 -10.751 1.00 60.30 N ATOM 1431 CA LEU A 92 -10.302 2.529 -9.749 1.00 51.15 C ATOM 1432 C LEU A 92 -10.924 3.059 -8.462 1.00 22.34 C ATOM 1433 O LEU A 92 -10.437 2.784 -7.365 1.00 64.31 O ATOM 1434 CB LEU A 92 -9.286 3.536 -10.291 1.00 20.30 C ATOM 1435 CG LEU A 92 -9.651 5.012 -10.128 1.00 52.33 C ATOM 1436 CD1 LEU A 92 -9.171 5.537 -8.785 1.00 63.51 C ATOM 1437 CD2 LEU A 92 -9.063 5.835 -11.266 1.00 74.21 C ATOM 0 H LEU A 92 -11.281 2.858 -11.576 1.00 60.30 H new ATOM 0 HA LEU A 92 -9.792 1.592 -9.525 1.00 51.15 H new ATOM 0 HB2 LEU A 92 -8.331 3.362 -9.795 1.00 20.30 H new ATOM 0 HB3 LEU A 92 -9.135 3.335 -11.352 1.00 20.30 H new ATOM 0 HG LEU A 92 -10.737 5.103 -10.162 1.00 52.33 H new ATOM 0 HD11 LEU A 92 -9.440 6.589 -8.688 1.00 63.51 H new ATOM 0 HD12 LEU A 92 -9.640 4.967 -7.983 1.00 63.51 H new ATOM 0 HD13 LEU A 92 -8.088 5.432 -8.719 1.00 63.51 H new ATOM 0 HD21 LEU A 92 -9.333 6.883 -11.134 1.00 74.21 H new ATOM 0 HD22 LEU A 92 -7.977 5.736 -11.263 1.00 74.21 H new ATOM 0 HD23 LEU A 92 -9.457 5.476 -12.216 1.00 74.21 H new ATOM 1449 N VAL A 93 -12.005 3.819 -8.601 1.00 10.13 N ATOM 1450 CA VAL A 93 -12.696 4.386 -7.449 1.00 73.22 C ATOM 1451 C VAL A 93 -13.296 3.290 -6.575 1.00 22.11 C ATOM 1452 O VAL A 93 -13.104 3.277 -5.359 1.00 52.23 O ATOM 1453 CB VAL A 93 -13.815 5.350 -7.884 1.00 23.01 C ATOM 1454 CG1 VAL A 93 -14.748 5.645 -6.720 1.00 32.52 C ATOM 1455 CG2 VAL A 93 -13.223 6.636 -8.442 1.00 32.43 C ATOM 0 H VAL A 93 -12.422 4.057 -9.501 1.00 10.13 H new ATOM 0 HA VAL A 93 -11.953 4.940 -6.875 1.00 73.22 H new ATOM 0 HB VAL A 93 -14.396 4.872 -8.673 1.00 23.01 H new ATOM 0 HG11 VAL A 93 -15.532 6.328 -7.046 1.00 32.52 H new ATOM 0 HG12 VAL A 93 -15.198 4.716 -6.370 1.00 32.52 H new ATOM 0 HG13 VAL A 93 -14.183 6.103 -5.908 1.00 32.52 H new ATOM 0 HG21 VAL A 93 -14.028 7.306 -8.745 1.00 32.43 H new ATOM 0 HG22 VAL A 93 -12.617 7.120 -7.676 1.00 32.43 H new ATOM 0 HG23 VAL A 93 -12.600 6.405 -9.306 1.00 32.43 H new ATOM 1465 N ASP A 94 -14.022 2.371 -7.203 1.00 24.23 N ATOM 1466 CA ASP A 94 -14.649 1.269 -6.483 1.00 62.03 C ATOM 1467 C ASP A 94 -13.614 0.221 -6.085 1.00 30.34 C ATOM 1468 O ASP A 94 -13.766 -0.462 -5.073 1.00 71.02 O ATOM 1469 CB ASP A 94 -15.740 0.625 -7.342 1.00 2.15 C ATOM 1470 CG ASP A 94 -16.690 -0.228 -6.527 1.00 33.40 C ATOM 1471 OD1 ASP A 94 -16.982 0.146 -5.371 1.00 64.13 O ATOM 1472 OD2 ASP A 94 -17.142 -1.271 -7.043 1.00 63.01 O ATOM 0 H ASP A 94 -14.191 2.368 -8.209 1.00 24.23 H new ATOM 0 HA ASP A 94 -15.101 1.671 -5.576 1.00 62.03 H new ATOM 0 HB2 ASP A 94 -16.304 1.405 -7.853 1.00 2.15 H new ATOM 0 HB3 ASP A 94 -15.276 0.011 -8.113 1.00 2.15 H new ATOM 1478 N ALA A 95 -12.562 0.101 -6.887 1.00 44.13 N ATOM 1479 CA ALA A 95 -11.502 -0.863 -6.618 1.00 24.21 C ATOM 1480 C ALA A 95 -10.647 -0.422 -5.434 1.00 41.15 C ATOM 1481 O ALA A 95 -10.511 -1.150 -4.450 1.00 43.40 O ATOM 1482 CB ALA A 95 -10.635 -1.054 -7.854 1.00 41.44 C ATOM 0 H ALA A 95 -12.421 0.659 -7.729 1.00 44.13 H new ATOM 0 HA ALA A 95 -11.967 -1.815 -6.363 1.00 24.21 H new ATOM 0 HB1 ALA A 95 -9.848 -1.776 -7.638 1.00 41.44 H new ATOM 0 HB2 ALA A 95 -11.249 -1.421 -8.676 1.00 41.44 H new ATOM 0 HB3 ALA A 95 -10.186 -0.101 -8.134 1.00 41.44 H new ATOM 1488 N ILE A 96 -10.074 0.772 -5.537 1.00 34.11 N ATOM 1489 CA ILE A 96 -9.233 1.308 -4.474 1.00 1.34 C ATOM 1490 C ILE A 96 -10.004 1.414 -3.162 1.00 41.51 C ATOM 1491 O ILE A 96 -9.465 1.146 -2.089 1.00 62.43 O ATOM 1492 CB ILE A 96 -8.678 2.698 -4.842 1.00 62.41 C ATOM 1493 CG1 ILE A 96 -7.766 2.597 -6.066 1.00 50.42 C ATOM 1494 CG2 ILE A 96 -7.927 3.297 -3.663 1.00 30.24 C ATOM 1495 CD1 ILE A 96 -6.522 1.771 -5.828 1.00 42.31 C ATOM 0 H ILE A 96 -10.177 1.386 -6.345 1.00 34.11 H new ATOM 0 HA ILE A 96 -8.402 0.614 -4.350 1.00 1.34 H new ATOM 0 HB ILE A 96 -9.513 3.355 -5.087 1.00 62.41 H new ATOM 0 HG12 ILE A 96 -8.328 2.162 -6.892 1.00 50.42 H new ATOM 0 HG13 ILE A 96 -7.472 3.601 -6.374 1.00 50.42 H new ATOM 0 HG21 ILE A 96 -7.541 4.278 -3.938 1.00 30.24 H new ATOM 0 HG22 ILE A 96 -8.603 3.398 -2.814 1.00 30.24 H new ATOM 0 HG23 ILE A 96 -7.098 2.644 -3.390 1.00 30.24 H new ATOM 0 HD11 ILE A 96 -5.924 1.744 -6.739 1.00 42.31 H new ATOM 0 HD12 ILE A 96 -5.938 2.217 -5.023 1.00 42.31 H new ATOM 0 HD13 ILE A 96 -6.807 0.756 -5.550 1.00 42.31 H new ATOM 1507 N TYR A 97 -11.271 1.804 -3.258 1.00 74.32 N ATOM 1508 CA TYR A 97 -12.118 1.944 -2.079 1.00 13.45 C ATOM 1509 C TYR A 97 -12.254 0.615 -1.344 1.00 71.20 C ATOM 1510 O TYR A 97 -12.359 0.578 -0.118 1.00 1.21 O ATOM 1511 CB TYR A 97 -13.500 2.464 -2.477 1.00 11.01 C ATOM 1512 CG TYR A 97 -13.610 3.972 -2.454 1.00 54.05 C ATOM 1513 CD1 TYR A 97 -12.580 4.771 -2.936 1.00 73.45 C ATOM 1514 CD2 TYR A 97 -14.744 4.597 -1.950 1.00 20.25 C ATOM 1515 CE1 TYR A 97 -12.676 6.149 -2.916 1.00 74.43 C ATOM 1516 CE2 TYR A 97 -14.849 5.974 -1.927 1.00 10.32 C ATOM 1517 CZ TYR A 97 -13.813 6.745 -2.412 1.00 33.15 C ATOM 1518 OH TYR A 97 -13.913 8.118 -2.389 1.00 2.44 O ATOM 0 H TYR A 97 -11.733 2.028 -4.139 1.00 74.32 H new ATOM 0 HA TYR A 97 -11.647 2.662 -1.408 1.00 13.45 H new ATOM 0 HB2 TYR A 97 -13.739 2.106 -3.478 1.00 11.01 H new ATOM 0 HB3 TYR A 97 -14.245 2.043 -1.802 1.00 11.01 H new ATOM 0 HD1 TYR A 97 -11.689 4.307 -3.333 1.00 73.45 H new ATOM 0 HD2 TYR A 97 -15.557 3.996 -1.570 1.00 20.25 H new ATOM 0 HE1 TYR A 97 -11.866 6.756 -3.293 1.00 74.43 H new ATOM 0 HE2 TYR A 97 -15.737 6.444 -1.532 1.00 10.32 H new ATOM 0 HH TYR A 97 -14.776 8.377 -2.004 1.00 2.44 H new ATOM 1528 N SER A 98 -12.250 -0.476 -2.102 1.00 43.44 N ATOM 1529 CA SER A 98 -12.377 -1.810 -1.525 1.00 2.03 C ATOM 1530 C SER A 98 -11.064 -2.251 -0.886 1.00 25.04 C ATOM 1531 O SER A 98 -11.023 -2.611 0.291 1.00 5.34 O ATOM 1532 CB SER A 98 -12.798 -2.815 -2.599 1.00 61.43 C ATOM 1533 OG SER A 98 -12.583 -4.147 -2.162 1.00 11.35 O ATOM 0 H SER A 98 -12.160 -0.463 -3.118 1.00 43.44 H new ATOM 0 HA SER A 98 -13.144 -1.774 -0.751 1.00 2.03 H new ATOM 0 HB2 SER A 98 -13.851 -2.674 -2.841 1.00 61.43 H new ATOM 0 HB3 SER A 98 -12.233 -2.633 -3.513 1.00 61.43 H new ATOM 0 HG SER A 98 -12.861 -4.771 -2.865 1.00 11.35 H new ATOM 1539 N VAL A 99 -9.991 -2.222 -1.671 1.00 60.21 N ATOM 1540 CA VAL A 99 -8.675 -2.618 -1.183 1.00 74.10 C ATOM 1541 C VAL A 99 -8.237 -1.742 -0.014 1.00 75.33 C ATOM 1542 O VAL A 99 -7.884 -2.246 1.052 1.00 35.44 O ATOM 1543 CB VAL A 99 -7.615 -2.535 -2.297 1.00 74.14 C ATOM 1544 CG1 VAL A 99 -6.297 -3.129 -1.824 1.00 62.12 C ATOM 1545 CG2 VAL A 99 -8.107 -3.240 -3.552 1.00 23.20 C ATOM 0 H VAL A 99 -10.008 -1.928 -2.648 1.00 60.21 H new ATOM 0 HA VAL A 99 -8.759 -3.652 -0.848 1.00 74.10 H new ATOM 0 HB VAL A 99 -7.447 -1.486 -2.539 1.00 74.14 H new ATOM 0 HG11 VAL A 99 -5.560 -3.062 -2.624 1.00 62.12 H new ATOM 0 HG12 VAL A 99 -5.940 -2.577 -0.955 1.00 62.12 H new ATOM 0 HG13 VAL A 99 -6.445 -4.175 -1.554 1.00 62.12 H new ATOM 0 HG21 VAL A 99 -7.346 -3.172 -4.329 1.00 23.20 H new ATOM 0 HG22 VAL A 99 -8.303 -4.288 -3.327 1.00 23.20 H new ATOM 0 HG23 VAL A 99 -9.025 -2.765 -3.900 1.00 23.20 H new ATOM 1555 N GLU A 100 -8.263 -0.430 -0.222 1.00 71.34 N ATOM 1556 CA GLU A 100 -7.867 0.515 0.816 1.00 34.22 C ATOM 1557 C GLU A 100 -8.597 0.223 2.124 1.00 12.25 C ATOM 1558 O GLU A 100 -8.066 0.461 3.210 1.00 4.42 O ATOM 1559 CB GLU A 100 -8.156 1.950 0.368 1.00 51.14 C ATOM 1560 CG GLU A 100 -9.610 2.358 0.534 1.00 30.22 C ATOM 1561 CD GLU A 100 -9.893 3.744 -0.013 1.00 43.01 C ATOM 1562 OE1 GLU A 100 -8.989 4.325 -0.651 1.00 74.35 O ATOM 1563 OE2 GLU A 100 -11.016 4.247 0.196 1.00 54.45 O ATOM 0 H GLU A 100 -8.554 0.003 -1.099 1.00 71.34 H new ATOM 0 HA GLU A 100 -6.796 0.403 0.984 1.00 34.22 H new ATOM 0 HB2 GLU A 100 -7.528 2.634 0.939 1.00 51.14 H new ATOM 0 HB3 GLU A 100 -7.874 2.058 -0.679 1.00 51.14 H new ATOM 0 HG2 GLU A 100 -10.247 1.634 0.026 1.00 30.22 H new ATOM 0 HG3 GLU A 100 -9.874 2.328 1.591 1.00 30.22 H new